# Search results of SQL query from the Crystallography Open Database # Date and time performed: 2024-05-09T06:04:58+02:00 # Query: # SELECT data.* # FROM # data # WHERE # (status is null or status != 'retracted') and # (year = 2001 AND duplicateof IS NULL AND (status is NULL OR status != 'errors') AND (method is NULL OR method != 'theoretical')) # ORDER BY file asc file,a,siga,b,sigb,c,sigc,alpha,sigalpha,beta,sigbeta,gamma,siggamma,vol,sigvol,celltemp,sigcelltemp,diffrtemp,sigdiffrtemp,cellpressure,sigcellpressure,diffrpressure,sigdiffrpressure,thermalhist,pressurehist,compoundsource,nel,sg,sgHall,sgNumber,commonname,chemname,mineral,formula,calcformula,cellformula,Z,Zprime,acce_code,authors,title,journal,year,volume,issue,firstpage,lastpage,doi,method,radiation,wavelength,radType,radSymbol,Rall,Robs,Rref,wRall,wRobs,wRref,RFsqd,RI,gofall,gofobs,gofgt,gofref,duplicateof,optimal,status,flags,svnrevision,date,time,onhold "1000002","6.341","0.001","16.88","0.002","5.7798","0.0008","90","","97.6","0.01","90","","613.2","0.8","","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","Deuterated acid strontium oxalate","","","- C3 D3 O7 Sr -","- C3 D3 O7 Sr -","- C12 D12 O28 Sr4 -","4","1","","Vanhoyland, G.; Bourée, F.; Van Bael, M. K.; Mullens, J.; Van Poucke, L. C.","Structure determination and refinement of acid strontium oxalate from X-ray and neutron powder diffraction","Journal of Solid State Chemistry","2001","157","2","283","288","10.1006/jssc.2000.9057","","","","","","","","","","","","","","","","","","","","","has coordinates","191935","2020-10-21","18:00:00","" "1000003","7.9661","0.0007","9.205","0.001","7.3198","0.0008","90","","102.104","0.008","90","","524.8","0.9","","","","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","Anhydrous acid strontium oxalate","","","- C3 O6 Sr -","- C3 O6 Sr -","- C12 O24 Sr4 -","4","1","","G. Vanhoyland; M.K. Van Bael; J. Mullens; L.C. Van Poucke","Structure determination of anhydrous acid strontium oxalate by conventional X-ray powder diffraction","Powder Diffraction","2001","16","4","224","226","10.1154/1.1401199","","","","","","","","","","","","","","","","","","","","","has coordinates","208206","2020-10-21","18:00:00","" "1004000","9.0847","0.0005","9.1602","0.0005","9.566","0.0005","103.732","0.001","116.622","0.001","106.265","0.001","619.1","0.06","173","2","173","2","","","","","","","","5","P -1","-P 1","2","Tungsten sulfide cluster with","octakis(mu!3$-sulfido)-hexakis(methylamine)-hexa-tungsten","","- C6 H30 N6 S8 W6 -","- C6 H30 N6 S8 W6 -","- C6 H30 N6 S8 W6 -","1","0.5","","Jin, Song; Zhou, Ran; Scheuer, Ellen M.; Adamchuk, Jennifer; Rayburn, Lori L.; DiSalvo, Francis J.","Synthesis, Characterization, and Ligand Exchange Studies of W~6~S~8~L~6~ Cluster Compounds","Inorganic Chemistry","2001","40","12","2666","2674","10.1021/ic001314q","","","0.71073","MoKα","","0.047","0.0444","","","0.1222","0.1239","","","","","","1.097","","","","has coordinates","176428","2020-10-21","18:00:00","" "1004001","24.6648","0.0012","19.8619","0.0009","20.1365","0.001","90","","103.324","0.001","90","","9599.1","0.8","163","2","163","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","Tungsten sulfide cluster with tri-n-","octakis(mu!3$-sulfido)-hexakis(tri-n-butylphosphine)-hexa-tungsten","","- C72 H162 P6 S8 W6 -","- C72 H162 P6 S8 W6 -","- C288 H648 P24 S32 W24 -","4","0.5","","Jin, Song; Zhou, Ran; Scheuer, Ellen M.; Adamchuk, Jennifer; Rayburn, Lori L.; DiSalvo, Francis J.","Synthesis, Characterization, and Ligand Exchange Studies of W~6~S~8~L~6~ Cluster Compounds","Inorganic Chemistry","2001","40","12","2666","2674","10.1021/ic001314q","","","0.71073","MoKα","","0.0396","0.025","","","0.0506","0.059","","","","","","1.089","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00","" "1004002","14.6107","0.0006","16.6282","0.0007","21.2344","0.0009","96.3869","0.0009","93.7166","0.001","92.1225","0.001","5111","0.4","446","2","446","2","","","","","","","","5","P -1","-P 1","2","Tungsten sulfide cluster with","octakis(mu!3$-sulfido)-hexakis(triphenylphophine) -hexa-tungsten-(benzene)solvate","","- C114 H96 P6 S8 W6 -","- C114 H96 P6 S8 W6 -","- C228 H192 P12 S16 W12 -","2","1","","Jin, Song; Zhou, Ran; Scheuer, Ellen M.; Adamchuk, Jennifer; Rayburn, Lori L.; DiSalvo, Francis J.","Synthesis, Characterization, and Ligand Exchange Studies of W~6~S~8~L~6~ Cluster Compounds","Inorganic Chemistry","2001","40","12","2666","2674","10.1021/ic001314q","","","0.71073","MoKα","","0.0723","0.0368","","","0.0767","0.0881","","","","","","0.957","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00","" "1004003","13.9117","0.0001","13.9117","0.0001","32.4106","0.0002","90","","90","","120","","5432.23","0.06","163","2","163","2","","","","","","","?","7","R -3 :H","-R 3","148","","","","- C44 H90 F6 O2 P7 S8 W6 -","- C44.04 H90 F5.96 O1.98 P7 S8 W6 -","- C132.12 H270 F17.88 O5.94 P21 S24 W18 -","3","0.166667","","Laurie I. Hill; Song Jin; Ran Zhou; D. Venkataraman; Francis J. DiSalvo","Synthesis and Characterization of Oxidized W6S8L6 Clusters","Inorganic Chemistry","2001","40","","2660","2665","10.1021/ic001099d","","","0.71073","MoKα","","0.0539","0.0451","","0.0774","0.0755","","","","2.052","2.105","2.105","","","","","has coordinates,has disorder","134621","2020-10-21","18:00:00","" "1004004","14.8105","0.0013","18.5419","0.0017","25.108","0.002","90","","104.284","0.002","90","","6681.8","1","173","2","173","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","Tungsten sulfide cluster with","octakis(mu!3$-sulfido)-hexakis(morpholine) -hexa-tungsten-1.3(morpholine)-3.7(aniline)","","- C51.5 H91.5 N11 O7.25 S8 W6 -","- C51.416 H91.584 N11 O7.292 S8 W6 -","- C205.664 H366.336 N44 O29.168 S32 W24 -","4","0.5","","Jin, Song; Zhou, Ran; Scheuer, Ellen M.; Adamchuk, Jennifer; Rayburn, Lori L.; DiSalvo, Francis J.","Synthesis, Characterization, and Ligand Exchange Studies of W~6~S~8~L~6~ Cluster Compounds","Inorganic Chemistry","2001","40","12","2666","2674","10.1021/ic001314q","","","0.71073","MoKα","","0.0389","0.0304","","","0.0595","0.0613","","","","","","1.216","","","","has coordinates,has disorder","176429","2020-10-21","18:00:00","" "1004005","12.1751","0.0006","12.5456","0.0006","12.7678","0.0006","111.532","0.0011","110.339","0.0011","93.1387","0.0011","1663.41","0.14","173","2","173","2","","","","","","","","5","P -1","-P 1","2","Tungsten Sulfide cluster","octakis(μ~3~-sulfido)-hexakis(tert-butylisocyanide)-hexa-tungsten tetrakis(benzene) solvate","","- C54 H78 N6 S8 W6 -","- C54 H78 N6 S8 W6 -","- C54 H78 N6 S8 W6 -","1","0.5","","Jin, Song; Zhou, Ran; Scheuer, Ellen M.; Adamchuk, Jennifer; Rayburn, Lori L.; DiSalvo, Francis J.","Synthesis, Characterization, and Ligand Exchange Studies of W~6~S~8~L~6~ Cluster Compounds","Inorganic Chemistry","2001","40","12","2666","2674","10.1021/ic001314q","","","0.71073","MoKα","","0.0693","0.0412","","","0.0823","0.091","","","","","","0.993","","","","has coordinates","209502","2020-10-21","18:00:00","" "1004007","23.1036","0.0004","20.8216","0.0003","11.497","","90","","99.703","0.001","90","","5451.46","0.12","173","2","173","2","","","","","","","?","5","C 1 2/c 1","-C 2yc","15","Tungsten Sulfide cluster","octakis(μu~3~-sulfido)-hexakis(tert-butylamine)-hexa-tungsten tert-butylamine solvate","","- C32 H88 N8 S8 W6 -","- C32 H88 N8 S8 W6 -","- C128 H352 N32 S32 W24 -","4","0.5","","Song Jin; Ran Zhou; Ellen M. Scheuer; Jennifer Adamchuk; Lori L. Rayburn; Francis J. DiSalvo","Synthesis, Characterization, and Ligand Exchange Studies of W6S8L6 Cluster Compounds","Inorganic Chemistry","2001","40","","2666","2674","10.1021/ic001314q","","","0.71073","MoKα","","0.0465","0.0325","","0.0905","0.0747","","","","1.061","0.969","0.969","","","","","has coordinates","192782","2020-10-21","18:00:00","" "1004013","4.0698","0.0005","4.0698","0.0005","20.154","0.003","90","","90","","90","","333.81","0.08","155","5","155","5","","","","","","","","3","I 4/m m m","-I 4 2","139","Lanthanum three niobium two hexanitride","","","- La3 N6 Nb2 -","- La3 N6 Nb2 -","- La6 N12 Nb4 -","2","0.0625","","Cario, L.; Gal, Z. A.; Braun, T. P.; DiSalvo, F. J.; Blaschkowski, B.; Meyer, H. J.","Ln3T2N6 (Ln=La, Ce, Pr; T=Ta, Nb), a New Family of Ternary Nitrides Isotypic to a High Tc Cuprate Superconductor","Journal of Solid State Chemistry","2001","162","","90","95","10.1006/jssc.2001.9359","","","0.71073","MoKα","","0.0211","0.0204","","","0.0372","0.0373","","","","","","1.35","","","","has coordinates","176729","2020-10-21","18:00:00","" "1004014","4.0399","0.0006","4.0399","0.0006","20.185","0.004","90","","90","","90","","329.44","0.1","155","5","293","2","","","","","","","","3","I 4/m m m","-I 4 2","139","Lanthanum three tantalum two hexanitride","","","- La3 N6 Ta1.8 -","- La3 N6 Ta1.77 -","- La6 N12 Ta3.54 -","2","0.0625","","Cario, L.; Gal, Z. A.; Braun, T. P.; DiSalvo, F. J.; Blaschkowski, B.; Meyer, H. J.","Ln3T2N6 (Ln=La, Ce, Pr; T=Ta, Nb), a New Family of Ternary Nitrides Isotypic to a High Tc Cuprate Superconductor","Journal of Solid State Chemistry","2001","162","","90","95","10.1006/jssc.2001.9359","","","0.71073","MoKα","","0.0341","0.0243","","","0.0506","0.0671","","","","","","1.189","","","","has coordinates","176435","2020-10-21","18:00:00","" "1004015","4.0674","0.0002","4.0674","0.0002","20.4506","0.001","90","","90","","90","","338.33","0.03","293","2","293","2","","","","","","","","3","I 4/m m m","-I 4 2","139","Lanthanum three tantalum two hexanitride","","","- La3 N6 Ta2 -","- La3 N6 Ta2 -","- La6 N12 Ta4 -","2","0.0625","","Cario, L.; Gal, Z. A.; Braun, T. P.; DiSalvo, F. J.; Blaschkowski, B.; Meyer, H. J.","Ln3T2N6 (Ln=La, Ce, Pr; T=Ta, Nb), a New Family of Ternary Nitrides Isotypic to a High Tc Cuprate Superconductor","Journal of Solid State Chemistry","2001","162","","90","95","10.1006/jssc.2001.9359","","","0.71073","MoKα","","0.0395","0.0364","","","0.064","0.0653","","","","","","1.385","","","","has coordinates","176729","2020-10-21","18:00:00","" "1004017","4.0451","0.0008","4.0451","0.0008","19.995","0.004","90","","90","","90","","327.18","0.13","155","5","155","2","","","","","","","","3","I 4/m m m","-I 4 2","139","Cerium three tantalum two hexanitride","","","- Ce3 N6 Ta1.97 -","- Ce3 N6 Ta1.968 -","- Ce6 N12 Ta3.936 -","2","0.0625","","Cario, L.; Gal, Z. A.; Braun, T. P.; DiSalvo, F. J.; Blaschkowski, B.; Meyer, H. J.","Ln3T2N6 (Ln=La, Ce, Pr; T=Ta, Nb), a New Family of Ternary Nitrides Isotypic to a High Tc Cuprate Superconductor","Journal of Solid State Chemistry","2001","162","","90","95","10.1006/jssc.2001.9359","","","0.71073","MoKα","","0.0264","0.0233","","","0.0444","0.0454","","","","","","1.285","","","warnings","has coordinates","249449","2020-10-21","18:00:00","" "1004029","18.035","0.018","10.513","0.011","14.293","0.011","90","","90","","90","","2710","4.4","293","2","293","2","","","","","","","","6","A b a 2","A 2 -2ab","41","","","","- C5 H16 Ga6 N2 O27 P6 -","- C5 H16 Ga6 N2 O27 P6 -","- C20 H64 Ga24 N8 O108 P24 -","4","","","Josien, L.; Simon, A.; Gramlich, V.; Patarin, J.","Synthesis and characterization of the new hydroxygallophosphate Mu-18 with a framework topology closely related to that of the hydroxyaluminophosphate AlPO~4^-^~EN3","Chemistry of Materials","2001","13","4","1305","1311","10.1021/cm001199h","","","1.54178","CuKα","","0.0366","0.0364","","0.1045","0.1041","","","","1.094","1.095","1.095","","","","","has coordinates","178246","2020-10-21","18:00:00","" "1004030","9.976","0.004","10.359","0.006","12.98","0.01","90","","90","","90","","1341.4","1.4","293","2","293","2","","","","","","","?","6","P 21 21 21","P 2ac 2ab","19","","","","- C5 H17 N O10 P2 Zn -","- C5 H17 N O10 P2 Zn -","- C20 H68 N4 O40 P8 Zn4 -","4","1","","Simon, A.; Josien, L.; Gramlich, V.; Patarin, J.","Synthesis and characterization of Mu-19, a new zincophosphate with a three dimensional 12-membered ring channel system","Microporous and Mesoporous Materials","2001","47","2-3","135","146","10.1016/S1387-1811(01)00312-2","","","0.71073","MoKα","","0.0233","0.0222","","0.0572","0.0569","","","","1.126","1.159","1.159","","","","","has coordinates","176428","2020-10-21","18:00:00","" "1100045","9.9096","0.0001","10.0634","0.0001","9.3552","0.0001","90","","120.068","0.0003","90","","807.39","","","","","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","Lithium Aluminium Boron Oxide (1/1/2/5)","","- Al B2 Li O5 -","- Al B2 Li O5 -","- Al8 B16 Li8 O40 -","8","1","","He, M; Chen, X; Lan, Y; Li, H; Xu, Y","Ab initio structure determination of new compound LiAlB~2~O~5~","Journal of Solid State Chemistry","2001","156","","181","184","10.1006/jssc.2000.8979","","","","","","0.07","","","","","","","","","","","","","","","has coordinates","198384","2020-10-21","18:00:00","" "1100046","15.473","0.001","8.294","0.0008","5.8392","0.0006","90","","90","","90","","749.3","","","","","","","","","","","","","4","C c c 2","C 2 -2c","37","","Calcium Gallium Boron Oxide (1/1/1/4)","","- B Ca Ga O4 -","- B Ca Ga O4 -","- B8 Ca8 Ga8 O32 -","8","1","","Yang, Z.; Liang, J. K.; Chen, X. L.; Xu, T.; Xu, Y. P.","Synthesis and crystal structure of a new compound CaGaBO~4~","Journal of Alloys and Compounds","2001","327","1-2","215","219","10.1016/S0925-8388(01)01416-5","","","","","","0.1","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00","" "1100047","4.8113","0.0001","4.8113","0.0001","15.2781","0.0003","90","","90","","120","","306.29","","","","","","","","","","","","","4","P -3 1 c","-P 3 2c","163","","Sodium Aluminium Boron Oxide (2/2/2/7)","","- Al2 B2 Na2 O7 -","- Al2 B2 Na2 O7 -","- Al4 B4 Na4 O14 -","2","0.166667","","He, M; Chen, X; Zhou, T; Hu, B; Xu, Y; Xu, T","Crystal structureand infrared spectra of Li~2~Al~2~B~2~O~7~","Journal of Alloys and Compounds","2001","327","","210","214","10.1016/S0925-8388(01)01561-4","","","","","","0.06","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00","" "1100055","10.5319","0.0003","10.5319","0.0003","6.4077","0.0001","90","","90","","120","","615.53","","","","","","","","","","","","","4","P 63 m c","P 6c -2c","186","","Calcium Lanthanum Boron Oxide (3/3/5/15)","","- B5 Ca3 La3 O15 -","- B5 Ca3 La3 O15 -","- B10 Ca6 La6 O30 -","2","0.166667","","Zhang, Y; Liang, J; Chen, X; He, M; Xu, T","A structural study of Ca~3~La~3~(BO~3~)~5~","Journal of Alloys and Compounds","2001","327","","96","99","10.1016/S0925-8388(01)01405-0","","","","","","0.08","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00","" "1100067","9.0429","0.0001","9.0429","0.0001","12.5664","0.0001","90","","90","","120","","889.834","0.03","","","","","","","","","","","","3","R -3 c :H","-R 3 2""c","167","","Strontium Boron Oxide (3/2/6)","","- B2 O6 Sr3 -","- B2 O6 Sr3 -","- B12 O36 Sr18 -","6","0.166667","","Wei, Z. F.; Chen, X. L.; Wang, F. M.; Li, W. C.; He, M.; Zhang, Y.","Phase relations in the ternary system SrO-TiO~2~-B~2~O~3~","Journal of Alloys and Compounds","2001","327","1-2","10","13","10.1016/S0925-8388(01)01564-X","","","","","","0.05","","","","","","","","","","","","","","","has coordinates","200379","2020-10-21","18:00:00","" "1100113","6.3004","0.0018","12.691","0.002","12.7423","0.0014","90.966","0.014","90.515","0.012","94.351","0.019","1015.72","","","","293","","","","","","","","","6","P -1","-P 1","2","","bis(Hexane-1,6-diammonium) hexa-fluoro-aluminium(iii) fluoride monohydrate","","- C12 H38 Al F7 N4 O -","- C18 H56 Al F13 N6 O -","- C36 H112 Al2 F26 N12 O2 -","2","1","","Touret, J.; Bourdon, X.; Leblanc, M.; Retoux, R.; Renaudin, J.; Maisonneuve, V.","Crystal structure of new hydroxide fluorides with isolated F- anions: [H~3~N(CH~2~)~6~NH~3~]~2~M(F, OH)~6~(F,OH)·H~2~O (M = Al, In)","Journal of Fluorine Chemistry","2001","110","2","133","138","10.1016/s0022-1139(01)00420-1","","","","","","","0.0449","","","0.0449","","","","","","","","","","","has coordinates","177548","2020-10-21","18:00:00","" "1100114","6.4714","0.0003","12.9203","0.0009","13.0843","0.0006","90.16","0.006","90.683","0.004","94.138","0.005","1091.07","","","","293","","","","","","","","","6","P -1","-P 1","2","","bis(Hexane-1,6-diammonium) hexa-fluoro-indium(iii) fluoride monohydrate","","- C12 H38 F7 In N4 O -","- C18 H56 F13 In N6 O -","- C36 H112 F26 In2 N12 O2 -","2","1","","Touret, J.; Bourdon, X.; Leblanc, M.; Retoux, R.; Renaudin, J.; Maisonneuve, V.","Crystal structure of new hydroxide fluorides with isolated F- anions: [H~3~N(CH~2~)~6~NH~3~]~2~M(F, OH)~6~(F,OH)·H~2~O (M = Al, In)","Journal of Fluorine Chemistry","2001","110","2","133","138","10.1016/s0022-1139(01)00420-1","","","","","","","0.0309","","","0.0309","","","","","","","","","","","has coordinates","177548","2020-10-21","18:00:00","" "1100131","8.1138","0.0005","11.471","0.001","12.8233","0.0009","90","","91.91","0.04","90","","1192.85","","","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Sodium Rubidium Tetrahydroxopentaoxotetraborate Tetrahydrate","","- B4 H12 Na O13 Rb -","- B4 H12 Na O13 Rb -","- B16 H48 Na4 O52 Rb4 -","4","1","","Ben Ali, A.; Smiri, L.; Maisonneuve, V.","Crystal structure of Na Rb B4 O5 (O H)4 * 4(H2 O): comparison with other tetraborate hydrates","Journal of Alloys and Compounds","2001","322","1-2","153","159","10.1016/S0925-8388(01)01259-2","","","","","","0.045","","","","","","","","","","","","","","","has coordinates","186632","2020-10-21","18:00:00","" "1100134","16.514","0.0016","11.1559","0.0011","11.2834","0.0011","90","","115.974","0.002","90","","1868.8","0.3","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","catena-(μu-4,4'-Bipyridyl)-bis(2-methyllactate-O,O')-copper(II)","","- C18 H22 Cu N2 O6 -","- C18 H22 Cu N2 O6 -","- C72 H88 Cu4 N8 O24 -","4","0.5","","Carballo, Rosa; Vázquez-López, Ezequiel M.; Covelo, Berta; Castiñeiras, Alfonso","Coordination polymers of Copper(II) based on mixed N- and O-donor ligands: The crystal structures of [CuL~2~(4,4'-bipy)]~n~ (L = lactate or 2-methyllactate)'","Polyhedron","2001","20","9-10","899","904","10.1016/S0277-5387(01)00749-5","","","0.71073","MoKα","","0.0757","0.0497","","","0.1114","0.1203","","","","","","0.967","","","","has coordinates","176729","2020-10-21","18:00:00","" "1100135","14.443","0.002","11.2031","0.0016","5.3902","0.0008","90","","104.854","0.002","90","","843","0.2","293","2","293","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","catena-(μu-4,4'-Bipyridyl)-bis(lactate-O,O')-copper(II)","","- C16 H18 Cu N2 O6 -","- C16 H18 Cu N2 O6 -","- C32 H36 Cu2 N4 O12 -","2","0.25","","Carballo, Rosa; Vázquez-López, Ezequiel M.; Covelo, Berta; Castiñeiras, Alfonso","Coordination polymers of Copper(II) based on mixed N- and O-donor ligands: The crystal structures of [CuL~2~(4,4'-bipy)]~n~ (L = lactate or 2-methyllactate)'","Polyhedron","2001","20","9-10","899","904","10.1016/S0277-5387(01)00749-5","","","0.71073","MoKα","","0.0366","0.0345","","","0.0877","0.0885","","","","","","1.118","","","","has coordinates","176729","2020-10-21","18:00:00","" "1100174","19.349","0.002","10.7833","0.0007","19.663","0.002","90","","111.04","0.008","90","","3829.09","","","","193","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","tetrakis(Triethylphosphoraneimino-N)-nickel(ii) di-iodide","","- C24 H64 I2 N4 Ni P4 -","- C27 H74 I2 N4 Ni P4 -","- C108 H296 I8 N16 Ni4 P16 -","4","1","","Gröb, Thorsten; Neumüller, Bernhard; Harms, Klaus; Schmock, Fritjof; Greiner, Andreas; Dehnicke, Kurt","Die Kristallstrukturen vontrans-[NiBr~2~(Pyridin)~4~] und [Ni(HNPEt~3~)~4~]I~2~","Zeitschrift fuer Anorganische und Allgemeine Chemie","2001","627","8","1928","1931","10.1002/1521-3749(200108)627:8<1928::AID-ZAAC1928>3.0.CO;2-V","","","","","","","4.3","","","4.3","","","","","","","","","","","has coordinates,has disorder","183538","2020-10-21","18:00:00","" "1100175","20.0757","0.001","20.642","0.001","21.1595","0.0011","109.193","0.004","111.285","0.004","96.879","0.004","7425.96","","","","193","","","","","","","","","6","P -1","-P 1","2","","tetrakis(Triphenylphosphoraneiminato)-hafnium tetrahydrofuran solvate","","- C84 H84 Hf N4 O3 P4 -","- C84 H84 Hf N4 O3 P4 -","- C336 H336 Hf4 N16 O12 P16 -","4","2","","Gröb, Thorsten; Harms, Klaus; Dehnicke, Kurt","Phosphaniminato-Komplexe des Hafniums. Die Kristallstrukturen von [Hf(NPPh~3~)~4~] · 3 THF und [Hf(NPPh~3~)~2~Cl~2~(HNPPh~3~)~2~]","Zeitschrift fuer Anorganische und Allgemeine Chemie","2001","627","8","1801","1806","10.1002/1521-3749(200108)627:8<1801::AID-ZAAC1801>3.0.CO;2-9","","","","","","","5.06","","","5.06","","","","","","","","","","","has coordinates","176967","2020-10-21","18:00:00","" "1100176","14.4397","0.001","19.2812","0.0014","24.5579","0.0017","67.273","0.008","87.445","0.008","87.082","0.008","6295.93","","","","193","","","","","","","","","6","P -1","-P 1","2","","trans-Dichloro-bis(triphenylphosphoraneimine)-bis(triphenylphosphoraneiminato)-hafnium","","- C72 H62 Cl2 Hf N4 P4 -","- C72 H62 Cl2 Hf N4 P4 -","- C288 H248 Cl8 Hf4 N16 P16 -","4","2","","Gröb, Thorsten; Harms, Klaus; Dehnicke, Kurt","Phosphaniminato-Komplexe des Hafniums. Die Kristallstrukturen von [Hf(NPPh~3~)~4~] · 3 THF und [Hf(NPPh~3~)~2~Cl~2~(HNPPh~3~)~2~]","Zeitschrift fuer Anorganische und Allgemeine Chemie","2001","627","8","1801","1806","10.1002/1521-3749(200108)627:8<1801::AID-ZAAC1801>3.0.CO;2-9","","","","","","","3.12","","","3.12","","","","","","","","","","","has coordinates","176967","2020-10-21","18:00:00","" "1100181","9.19","0.0008","19.6516","0.0018","24.0125","0.0019","96.748","0.01","94.827","0.01","91.72","0.011","4287.81","","","","193","","","","","","","","","7","P -1","-P 1","2","","Amino-triphenylphosphonium tetrakis(isothiocyanato)-bis(1,2-dimethoxyethane-O, O')-samarium(iii) diethyl ether solvate","","- C34 H47 N5 O5 P S4 Sm -","- C34 H47 N5 O5 P S4 Sm -","- C136 H188 N20 O20 P4 S16 Sm4 -","4","2","","Gröb, Thorsten; Harms, Klaus; Dehnicke, Kurt","Kristallstruktur des Isothiocyanato-Komplexes [Ph~3~PNH~2~(OEt~2~)][Sm(NCS)~4~(DME)~2~]","Zeitschrift fuer Anorganische und Allgemeine Chemie","2001","627","2","125","127","10.1002/1521-3749(200102)627:2<125::AID-ZAAC125>3.0.CO;2-O","","","","","","","2.91","","","2.91","","","","","","","","","","","has coordinates","176964","2020-10-21","18:00:00","" "1100187","28.224","0.001","28.224","0.001","15.262","0.001","90","","90","","120","","10528.8","","","","293","","","","","","","","","5","R 3 :H","R 3","146","","p-Menth-3-yl 1,3,5-trimethylcyclohexane-1,3-dicarboximide-5-carboxylate dichloromethane solvate","","- C22.17 H35.34 Cl0.34 N O4 -","- C22.1667 H35 Cl N O4 -","- C399 H630 Cl18 N18 O72 -","18","2","","Bach, Thorsten; Bergmann, Hermann; Grosch, Benjamin; Harms, Klaus; Herdtweck, Eberhardt","Synthesis of Enantiomerically Pure 1,5,7-Trimethyl-3-azabicyclo[3.3.1]nonan-2-ones as Chiral Host Compounds for Enantioselective Photochemical Reactions in Solution","Synthesis","2001","2001","9","1395","1405","10.1055/s-2001-15231","","","","","","","5.16","","","5.16","","","","","","","","","","","has coordinates","178092","2020-10-21","18:00:00","" "1100188","11.372","0.002","14.9124","0.0013","11.545","0.003","90","","111.665","0.019","90","","1819.54","","","","223","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","rac-1,5,7-Trimethyl-7-(1'-oxa-3'-azacyclopenta(b)naphthalen-2'-yl)-3-azabicyclo(3.3.1)nonan-2-one","","- C22 H24 N2 O2 -","- C22 H24 N2 O2 -","- C88 H96 N8 O8 -","4","1","","Bach, Thorsten; Bergmann, Hermann; Grosch, Benjamin; Harms, Klaus; Herdtweck, Eberhardt","Synthesis of Enantiomerically Pure 1,5,7-Trimethyl-3-azabicyclo[3.3.1]nonan-2-ones as Chiral Host Compounds for Enantioselective Photochemical Reactions in Solution","Synthesis","2001","2001","9","1395","1405","10.1055/s-2001-15231","","","","","","","6.49","","","6.49","","","","","","","","","","","has coordinates","178092","2020-10-21","18:00:00","" "1100189","7.6041","0.0008","15.9342","0.0011","16.4592","0.0011","90","","90","","90","","1994.28","","","","173","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","ent-1,5,7-Trimethyl-7-(5',6',7',8'-tetrahydro-1'-oxa-3'-azacyclopenta(b)naphthalen-2'-yl)-3-azabicyclo(3.3.1)nonan-2-one hydrate","","- C22 H28.66 N2 O2.33 -","- C26 H38 N2 O3 -","- C104 H152 N8 O12 -","4","1","","Bach, Thorsten; Bergmann, Hermann; Grosch, Benjamin; Harms, Klaus; Herdtweck, Eberhardt","Synthesis of Enantiomerically Pure 1,5,7-Trimethyl-3-azabicyclo[3.3.1]nonan-2-ones as Chiral Host Compounds for Enantioselective Photochemical Reactions in Solution","Synthesis","2001","2001","9","1395","1405","10.1055/s-2001-15231","","","","","","","3.05","","","3.05","","","","","","","","","","","has coordinates","178092","2020-10-21","18:00:00","" "1100190","7.6183","0.0002","16.092","0.0006","16.4887","0.0006","90","","90","","90","","2021.41","","","","293","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","ent-1,5,7-Trimethyl-7-(5',6',7',8'-tetrahydro-1'-oxa-3'-azacyclopenta(b)naphthalen-2'-yl)-3-azabicyclo(3.3.1)nonan-2-one hydrate","","- C22 H28.66 N2 O2.33 -","- C26 H38 N2 O3 -","- C104 H152 N8 O12 -","4","1","","Bach, Thorsten; Bergmann, Hermann; Grosch, Benjamin; Harms, Klaus; Herdtweck, Eberhardt","Synthesis of Enantiomerically Pure 1,5,7-Trimethyl-3-azabicyclo[3.3.1]nonan-2-ones as Chiral Host Compounds for Enantioselective Photochemical Reactions in Solution","Synthesis","2001","2001","9","1395","1405","10.1055/s-2001-15231","","","","","","","3.06","","","3.06","","","","","","","","","","","has coordinates","178092","2020-10-21","18:00:00","" "1100191","14.4126","0.0008","17.328","0.002","18.359","0.001","90","","101.582","0.007","90","","4491.65","","","","193","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","octakis(t-Butyl)-hypho-hexagallane(6)","hexakis(μ~2~-Hydrido)-octakis(t-butyl)-hexa-gallium","","- C32 H78 Ga6 -","- C76 H192 Ga12 -","- C304 H768 Ga48 -","4","0.5","","Uhl, Werner; Cuypers, Lars; Geiseler, Gertraud; Harms, Klaus; Neumüller, Bernhard","Unexpected formation of gallium‒gallium single bonds by irradiation of the hydride [(Me~3~C)~2~GaH]~3~","Journal of the Chemical Society, Dalton Transactions","2001","","16","2398","2400","10.1039/b103409j","","","","","","","5.76","","","5.76","","","","","","","","","","","has coordinates","177463","2020-10-21","18:00:00","" "1100192","10.966","0.001","13.868","0.001","14.306","0.001","79.09","0.01","74.83","0.01","74.74","0.01","2008.75","","","","193","","","","","","","","","6","P -1","-P 1","2","","trans-Carbonyl-chloro-bis(2,4,6-triphenylphosphabenzene)-rhodium dichloromethane solvate","","- C47.5 H35 Cl2 O P2 Rh -","- C48 H36 Cl3 O P2 Rh -","- C96 H72 Cl6 O2 P4 Rh2 -","2","1","","Breit, Bernhard; Winde, Roland; Mackewitz, Thomas; Paciello, Rocco; Harms, Klaus","Phosphabenzenes as Monodentate π-Acceptor Ligands for Rhodium-Catalyzed Hydroformylation","Chemistry - A European Journal","2001","7","14","","3121","10.1002/1521-3765(20010716)7:14<3106::aid-chem3106>3.0.co;2-y","","","","","","","7.16","","","7.16","","","","","","","","","","","has coordinates","177554","2020-10-21","18:00:00","" "1100213","19.0073","0.0005","21.8155","0.0004","37.5145","0.0007","90","","90","","90","","15555.5","","","","193","","","","","","","","","3","P n n m","-P 2 2n","58","","nonakis(t-Butyl-gallium(i)) toluene solvate","","- C38.31 H83.64 Ga9 -","- C58 H118 Ga11 -","- C696 H1416 Ga132 -","12","1.5","","Uhl, Werner; Cuypers, Lars; Harms, Klaus; Kaim, Wolfgang; Wanner, Matthias; Winter, Rainer; Koch, Rainer; Saak, Wolfgang","Ga~9~(CMe~3~)~9~, an Important New Building Block in the Structural Chemistry of the Alkylelement(I) Compounds EnRn (E=B-In)","Zeitschrift für Anorganische und Allgemeine Chemie","2001","40","3","566","568","10.1002/1521-3773(20010202)40:3<566::aid-anie566>3.0.co;2-t","","","","","","","4.54","","","4.54","","","","","","","","","","","has coordinates","177561","2020-10-21","18:00:00","" "1100215","10.008","0.0008","11.1636","0.0006","18.0294","0.0015","90","","106.091","0.009","90","","1935.42","","","","193","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","bis((μ~3~-Cyano)-bis(diethylether)-(trimethylsilyl)methyl-copper(i)-lithium)","","- C26 H62 Cu2 Li2 N2 O4 Si2 -","- C52 H124 Cu4 Li4 N4 O8 Si4 -","- C104 H248 Cu8 Li8 N8 O16 Si8 -","2","0.5","","Bosold, F.; Marsch, M.; Harms, K.; Boche, G.","Crystal structure of bis[bis(diethylether)lithium (trimethylsilyl)methyl-cyanocuprate], [(C~4~H~10~O)~2~Li(C~3~H~9~)SiCH~2~CuCN]~2~","Zeitschrift für Kristallographie - New Crystal Structures","2001","216","1-4","143","144","10.1524/ncrs.2001.216.14.143","","","","","","","3.13","","","3.13","","","","","","","","","","","has coordinates","177961","2020-10-21","18:00:00","" "1100216","15.6666","0.0015","14.7993","0.001","19.6063","0.0018","90","","105.908","0.009","90","","4371.72","","","","193","","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","tetrakis(μ~3~-Trimethylphosphoraneiminato)-tris(trifluoromethanesulfonato-O,O')-(trifluoromethanesulfonato-O)-tetra-nickel(II)","","- C16 H36 F12 N4 Ni4 O12 P4 S4 -","- C16 H36 F15 N4 Ni4 O14 P4 S4 -","- C64 H144 F60 N16 Ni16 O56 P16 S16 -","4","1","","Krieger, Matthias; Gould, Robert O.; Harms, Klaus; Greiner, Andreas; Dehnicke, Kurt","Phosphaniminato- und Phosphanimin-Komplexe von Nickel(II). Die Kristallstrukturen von [Ni(O~3~SCF~3~)(NPMe~3~)]~4~, [Ni~4~Br~5~{NP(NMe~2~)~3~}~3~], [NiBr~2~{HNP(NMe~2~)~3~}~2~] und [Ni(PMePh~2~)~4~]","Zeitschrift fuer Anorganische und Allgemeine Chemie","2001","627","4","747","754","10.1002/1521-3749(200104)627:4<747::AID-ZAAC747>3.0.CO;2-H","","","","","","","4.43","","","4.43","","","","","","","","","","","has coordinates","176965","2020-10-21","18:00:00","" "1100217","18.407","0.001","8.101","0.001","16.072","0.002","90","","94.74","0.01","90","","2388.38","","","","203","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","Dibromo-bis(tris(dimethylamino)phosphaneimine)-nickel(ii)","","- C12 H38 Br2 N8 Ni P2 -","- C24 H76 Br4 N16 Ni P4 -","- C96 H304 Br16 N64 Ni4 P16 -","4","0.5","","Krieger, Matthias; Gould, Robert O.; Harms, Klaus; Greiner, Andreas; Dehnicke, Kurt","Phosphaniminato- und Phosphanimin-Komplexe von Nickel(II). Die Kristallstrukturen von [Ni(O~3~SCF~3~)(NPMe~3~)]~4~, [Ni~4~Br~5~{NP(NMe~2~)~3~}~3~], [NiBr~2~{HNP(NMe~2~)~3~}~2~] und [Ni(PMePh~2~)~4~]","Zeitschrift fuer Anorganische und Allgemeine Chemie","2001","627","4","747","754","10.1002/1521-3749(200104)627:4<747::AID-ZAAC747>3.0.CO;2-H","","","","","","","3.4","","","3.4","","","","","","","","","","","has coordinates","176965","2020-10-21","18:00:00","" "1100218","10.531","0.002","13.15","0.003","16.745","0.003","81.547","0.013","79.148","0.016","84.912","0.018","2248.24","","","","223","","","","","","","","","4","P -1","-P 1","2","","tetrakis(Diphenyl(methyl)phosphine)-nickel(0)","","- C52 H52 Ni P4 -","- C52 H52 Ni P4 -","- C104 H104 Ni2 P8 -","2","1","","Krieger, Matthias; Gould, Robert O.; Harms, Klaus; Greiner, Andreas; Dehnicke, Kurt","Phosphaniminato- und Phosphanimin-Komplexe von Nickel(II). Die Kristallstrukturen von [Ni(O~3~SCF~3~)(NPMe~3~)]~4~, [Ni~4~Br~5~{NP(NMe~2~)~3~}~3~], [NiBr~2~{HNP(NMe~2~)~3~}~2~] und [Ni(PMePh~2~)~4~]","Zeitschrift fuer Anorganische und Allgemeine Chemie","2001","627","4","747","754","10.1002/1521-3749(200104)627:4<747::AID-ZAAC747>3.0.CO;2-H","","","","","","","4.97","","","4.97","","","","","","","","","","","has coordinates","176965","2020-10-21","18:00:00","" "1100219","12.26","0.003","16.14","0.003","24.06","0.005","90","","92.34","0.03","90","","4756.94","","","","","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","(μ~3~-Bromo)-tris(μ~3~-tris(dimethylamino)phosphoraneiminato)-tetrabromo-tetra-nickel(ii) dichloromethane solvate","","- C18.75 H55.5 Br5 Cl1.5 N12 Ni4 P3 -","- C18 H54 Br5 N12 Ni4 P3 -","- C72 H216 Br20 N48 Ni16 P12 -","4","1","","Krieger, Matthias; Gould, Robert O.; Harms, Klaus; Greiner, Andreas; Dehnicke, Kurt","Phosphaniminato- und Phosphanimin-Komplexe von Nickel(II). Die Kristallstrukturen von [Ni(O~3~SCF~3~)(NPMe~3~)]~4~, [Ni~4~Br~5~{NP(NMe~2~)~3~}~3~], [NiBr~2~{HNP(NMe~2~)~3~}~2~] und [Ni(PMePh~2~)~4~]","Zeitschrift fuer Anorganische und Allgemeine Chemie","2001","627","4","747","754","10.1002/1521-3749(200104)627:4<747::AID-ZAAC747>3.0.CO;2-H","","","","","","","7.03","","","7.03","","","","","","","","","","","has coordinates","176965","2020-10-21","18:00:00","" "1100220","11.0478","0.0012","28.024","0.003","7.2693","0.0007","90","","90","","90","","2250.6","","","","193","","","","","","","","","5","I b a 2","I 2 -2c","45","","(4RS,5SR,1'RS)-4-(1-Chloro-1-phenylmethyl)-5-methyl-1,3-oxazolidin-2-one","","- C11 H12 Cl N O2 -","- C11 H12 Cl N O2 -","- C88 H96 Cl8 N8 O16 -","8","1","","Bach, Thorsten; Schlummer, Björn; Harms, Klaus","Intramolecular Iron(II)-catalyzed Nitrogen Transfer Reactions of Unsaturated Alkoxycarbonyl Azides: A Facile and Stereoselective Route to 4,5-Disubstituted Oxazolidinones","Chemistry - A European Journal","2001","7","12","2581","2594","10.1002/1521-3765(20010618)7:12<2581::aid-chem25810>3.0.co;2-o","","","","","","","3.22","","","3.22","","","","","","","","","","","has coordinates","177553","2020-10-21","18:00:00","" "1100221","5.3339","0.0008","12.4601","0.0017","11.8203","0.0017","90","","93.864","0.017","90","","783.802","","","","193","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(1RS,2SR,6RS)-9-Aza-2-chloro-7-oxabicyclo(4.3.0)nonan-8-one","","- C7 H10 Cl N O2 -","- C7 H10 Cl N O2 -","- C28 H40 Cl4 N4 O8 -","4","1","","Bach, Thorsten; Schlummer, Björn; Harms, Klaus","Intramolecular Iron(II)-catalyzed Nitrogen Transfer Reactions of Unsaturated Alkoxycarbonyl Azides: A Facile and Stereoselective Route to 4,5-Disubstituted Oxazolidinones","Chemistry - A European Journal","2001","7","12","2581","2594","10.1002/1521-3765(20010618)7:12<2581::aid-chem25810>3.0.co;2-o","","","","","","","3.45","","","3.45","","","","","","","","","","","has coordinates","177553","2020-10-21","18:00:00","" "1100222","9.9246","0.0005","6.8908","0.0003","14.1918","0.001","90","","95.692","0.004","90","","965.77","","","","213","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","(1RS,2RS,8SR)-2-Chloro-9-oxa-11-azabicyclo(6.3.0)undec-5-en-10-one","","- C9 H12 Cl N O2 -","- C9 H12 Cl N O2 -","- C36 H48 Cl4 N4 O8 -","4","1","","Bach, Thorsten; Schlummer, Björn; Harms, Klaus","Intramolecular Iron(II)-catalyzed Nitrogen Transfer Reactions of Unsaturated Alkoxycarbonyl Azides: A Facile and Stereoselective Route to 4,5-Disubstituted Oxazolidinones","Chemistry - A European Journal","2001","7","12","2581","2594","10.1002/1521-3765(20010618)7:12<2581::aid-chem25810>3.0.co;2-o","","","","","","","5.99","","","5.99","","","","","","","","","","","has coordinates","177553","2020-10-21","18:00:00","" "1100223","11.9678","0.0013","6.2949","0.0003","13.7472","0.0016","90","","113.363","0.007","90","","950.748","","","","213","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","(1RS,2RS,3RS)-2-Chloro-9-oxa-11-azabicyclo(6.3.0)undec-5-en-10-one","","- C9 H12 Cl N O2 -","- C9 H12 Cl N O2 -","- C36 H48 Cl4 N4 O8 -","4","1","","Bach, Thorsten; Schlummer, Björn; Harms, Klaus","Intramolecular Iron(II)-catalyzed Nitrogen Transfer Reactions of Unsaturated Alkoxycarbonyl Azides: A Facile and Stereoselective Route to 4,5-Disubstituted Oxazolidinones","Chemistry - A European Journal","2001","7","12","2581","2594","10.1002/1521-3765(20010618)7:12<2581::aid-chem25810>3.0.co;2-o","","","","","","","6.17","","","6.17","","","","","","","","","","","has coordinates","177553","2020-10-21","18:00:00","" "1100224","5.6138","0.001","7.0575","0.001","15.9015","0.001","96.654","0.01","95.454","0.01","109.173","0.01","585.075","","","","213","","","","","","","","","4","P -1","-P 1","2","","4-(4-n-Butyltetrahydro-3-furyl)-1,3-oxazolidin-2-one","","- C11 H19 N O3 -","- C15 H31 N O3 -","- C30 H62 N2 O6 -","2","1","","Bach, Thorsten; Schlummer, Björn; Harms, Klaus","Intramolecular Iron(II)-catalyzed Nitrogen Transfer Reactions of Unsaturated Alkoxycarbonyl Azides: A Facile and Stereoselective Route to 4,5-Disubstituted Oxazolidinones","Chemistry - A European Journal","2001","7","12","2581","2594","10.1002/1521-3765(20010618)7:12<2581::aid-chem25810>3.0.co;2-o","","","","","","","6.88","","","6.88","","","","","","","","","","","has coordinates","177553","2020-10-21","18:00:00","" "1100225","6.9144","0.0006","9.352","0.003","19.9486","0.0011","90","","99.398","0.009","90","","1272.63","","","","213","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","(Z)-4-(1-Chloro-1-phenylmethylidene)-5-propyl-1,3-oxazolidin-2-one","","- C13 H14 Cl N O2 -","- C13 H14 Cl N O2 -","- C52 H56 Cl4 N4 O8 -","4","1","","Bach, Thorsten; Schlummer, Björn; Harms, Klaus","Intramolecular Iron(II)-catalyzed Nitrogen Transfer Reactions of Unsaturated Alkoxycarbonyl Azides: A Facile and Stereoselective Route to 4,5-Disubstituted Oxazolidinones","Chemistry - A European Journal","2001","7","12","2581","2594","10.1002/1521-3765(20010618)7:12<2581::aid-chem25810>3.0.co;2-o","","","","","","","5.93","","","5.93","","","","","","","","","","","has coordinates","177553","2020-10-21","18:00:00","" "1100226","9.3539","0.0008","9.4338","0.0006","10.2406","0.0005","91.805","0.006","104.889","0.007","109.986","0.006","813.611","","","","213","","","","","","","","","4","P -1","-P 1","2","","(Z)-5-Cyclohexyl-4-(1-(2,2-dimethylpropylidene))-5-ethoxy-1,3-oxazolidin-2-one","","- C16 H27 N O3 -","- C16 H27 N O3 -","- C32 H54 N2 O6 -","2","1","","Bach, Thorsten; Schlummer, Björn; Harms, Klaus","Intramolecular Iron(II)-catalyzed Nitrogen Transfer Reactions of Unsaturated Alkoxycarbonyl Azides: A Facile and Stereoselective Route to 4,5-Disubstituted Oxazolidinones","Chemistry - A European Journal","2001","7","12","2581","2594","10.1002/1521-3765(20010618)7:12<2581::aid-chem25810>3.0.co;2-o","","","","","","","5.71","","","5.71","","","","","","","","","","","has coordinates","177553","2020-10-21","18:00:00","" "1100227","11.818","0.0015","9.9465","0.001","16.082","0.0019","90","","110.375","0.009","90","","1772.13","","","","203","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","(1RS,5SR,7SR)-3-Aza-2-oxo-1,5,7-trimethylbicyclo[3.3.1]-7-nonanoic acid 3-form ylphenyl ester","","- C19 H23 N O4 -","- C19 H23 N O4 -","- C76 H92 N4 O16 -","4","1","","Bach, Thorsten; Bergmann, Hermann; Brummerhop, Harm; Lewis, Warren; Harms, Klaus","The [2+2]-Photocycloaddition of Aromatic Aldehydes and Ketones to 3,4-Dihydro-2-pyridones: Regioselectivity, Diastereoselectivity, and Reductive Ring Opening of the Product Oxetanes","Chemistry - A European Journal","2001","7","20","4512","4521","10.1002/1521-3765(20011015)7:20<4512::aid-chem4512>3.0.co;2-h","","","","","","","5.76","","","5.76","","","","","","","","","","","has coordinates","177555","2020-10-21","18:00:00","" "1100228","13.857","0.002","7.9815","0.0008","15.117","0.002","90","","113.252","0.015","90","","1536.14","","","","193","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","(1RS,5RS,6SR)-4-methyl-8,8-diphenyl-7-oxa-2-azabicyclo[4.2.0]octan-3-one","","- C19 H19 N O2 -","- C19 H19 N O2 -","- C76 H76 N4 O8 -","4","1","","Bach, Thorsten; Bergmann, Hermann; Brummerhop, Harm; Lewis, Warren; Harms, Klaus","The [2+2]-Photocycloaddition of Aromatic Aldehydes and Ketones to 3,4-Dihydro-2-pyridones: Regioselectivity, Diastereoselectivity, and Reductive Ring Opening of the Product Oxetanes","Chemistry - A European Journal","2001","7","20","4512","4521","10.1002/1521-3765(20011015)7:20<4512::aid-chem4512>3.0.co;2-h","","","","","","","3.64","","","3.64","","","","","","","","","","","has coordinates","177555","2020-10-21","18:00:00","" "1100229","7.699","0.0011","13.7214","0.0019","18.8308","0.0014","89.963","0.016","80.265","0.016","76.44","0.017","1904.43","","","","193","","","","","","","","","5","P -1","-P 1","2","","(1RS,6SR)-8,8-diphenyl-7-oxa-2-azabicyclo[4.2.0]octan-3-one chloroform solvate","","- C19 H18 Cl3 N O2 -","- C19 H18 Cl3 N O2 -","- C76 H72 Cl12 N4 O8 -","4","2","","Bach, Thorsten; Bergmann, Hermann; Brummerhop, Harm; Lewis, Warren; Harms, Klaus","The [2+2]-Photocycloaddition of Aromatic Aldehydes and Ketones to 3,4-Dihydro-2-pyridones: Regioselectivity, Diastereoselectivity, and Reductive Ring Opening of the Product Oxetanes","Chemistry - A European Journal","2001","7","20","4512","4521","10.1002/1521-3765(20011015)7:20<4512::aid-chem4512>3.0.co;2-h","","","","","","","5.79","","","5.79","","","","","","","","","","","has coordinates","177556","2020-10-21","18:00:00","" "1100230","15.929","0.002","9.438","0.001","14.13","0.002","90","","90","","90","","2124.27","","","","293","","","","","","","","","5","P n a 21","P 2c -2n","33","","Dibromo-tetrapyridine-nickel(ii)","","- C20 H20 Br2 N4 Ni -","- C20 H20 Br2 N4 Ni -","- C80 H80 Br8 N16 Ni4 -","4","1","","Gröb, Thorsten; Neumüller, Bernhard; Harms, Klaus; Schmock, Fritjof; Greiner, Andreas; Dehnicke, Kurt","Die Kristallstrukturen vontrans-[NiBr~2~(Pyridin)~4~] und [Ni(HNPEt~3~)~4~]I~2~","Zeitschrift fuer Anorganische und Allgemeine Chemie","2001","627","8","1928","1931","10.1002/1521-3749(200108)627:8<1928::AID-ZAAC1928>3.0.CO;2-V","","","","","","","4.92","","","4.92","","","","","","","","","","","has coordinates","176963","2020-10-21","18:00:00","" "1100231","9.1269","0.0005","24.8574","0.001","13.5416","0.0008","90","","102.491","0.005","90","","2999.48","","","","","","","","","","","","","5","P 1 21 1","P 2yb","4","","bis(μ~2~-Iodo)-tris(tris(trimethylsilyl)methyl)-tri-indium toluene solvate","","- C37 H89 I2 In3 Si9 -","- C37 H89 I2 In3 Si12 -","- C74 H178 I4 In6 Si24 -","2","1","","Uhl, Werner; Melle, Sandra; Geiseler, Gertraud; Harms, Klaus","In~3~I~2~[C(SiMe~3~)~3~]~3~: Synthesis of a Diiodotrialkyltriindane(5) Containing Two In‒In Single Bonds","Organometallics","2001","20","15","3355","3357","10.1021/om0102302","","","","","","","2.38","","","2.38","","","","","","","","","","","has coordinates","177960","2020-10-21","18:00:00","" "1100232","18.11","0.002","7.229","0.001","17.624","0.002","90","","118.15","0.01","90","","2034.37","","","","198","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","(N,N,N',N'-Tetramethylethylenediamine-N,N')-bis(pentafluorophenyl)-cadmium","","- C18 H16 Cd F10 N2 -","- C36 H32 Cd F20 N4 -","- C144 H128 Cd4 F80 N16 -","4","0.5","","Harms, K.; Boche, G.; Marsch, M.","","Private Communication","2001","","","","","","","","","","","","2.52","","","2.52","","","","","","","","","","","has coordinates","177962","2020-10-21","18:00:00","" "1100233","8.449","0.001","9.895","0.0007","17.837","0.002","90","","101.507","0.006","90","","1461.25","","","","193","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","3-(2,3,3a,4,5,11a-Hexahydrobenzo(f)furo(3,2-c)quinolin-4-yl)-1-propanol","","- C18 H21 N O2 -","- C18 H21 N O2 -","- C72 H84 N4 O8 -","4","1","","Harms, K.; Boche, G.; Marsch, M.","","Private Communication","2001","","","","","","","","","","","","3.83","","","3.83","","","","","","","","","","","has coordinates","177962","2020-10-21","18:00:00","" "1100234","29.6297","0.0013","8.8309","0.0006","12.8246","0.0008","90","","91.36","0.005","90","","3354.7","","","","213","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","Methyl 3-phenyl-2-(N-methyl-N-t-butoxycarbonyl)aminopropanoate","","- C16 H23 N O4 -","- C16 H23 N O4 -","- C128 H184 N8 O32 -","8","1","","Harms, K.; Boche, G.; Marsch, M.","","Private Communication","2001","","","","","","","","","","","","4.73","","","4.73","","","","","","","","","","","has coordinates","177962","2020-10-21","18:00:00","" "1100235","10.608","0.0005","18.5975","0.0008","6.4587","0.0008","90","","90","","90","","1274.19","","","","213","","","","","","","","","3","P n a 21","P 2c -2n","33","","meso-2,2'-dimethylbicyclohexyl-4,4'-dione","","- C14 H22 O2 -","- C14 H22 O2 -","- C56 H88 O8 -","4","1","","Hoffmann, Reinhard W.; Brandl, Trixi; Kirsch, Peer; Harms, Klaus","Synthesis of a Mesogenic Compound with a Defined Conformation","Synlett","2001","2001","SI","960","963","10.1055/s-2001-14633","","","","","","","6.03","","","6.03","","","","","","","","","","","has coordinates","176883","2020-10-21","18:00:00","" "1100236","10.1124","0.0017","10.7593","0.0018","10.894","0.0017","114.874","0.016","99.97","0.009","98.896","0.012","1024.21","","","","223","","","","","","","","","5","P -1","-P 1","2","","bis(μ~2~-2,2,2-Trifluoro-1,1-diphenylethoxo)-tetrakis(tetrahydrofuran-O)-di-lithium","","- C44 H52 F6 Li2 O6 -","- C94 H120 F12 Li4 O12 -","- C94 H120 F12 Li4 O12 -","1","0.5","","Boche, G.; Adler, M.; Adler, S.; Marsch, M.; Harms, K.","","Private Communication","2001","","","","","","","","","","","","6.1","","","6.1","","","","","","","","","","","has coordinates","177962","2020-10-21","18:00:00","" "1100237","8.249","0.004","11.771","0.009","12.354","0.008","92.23","0.08","98.82","0.07","90.19","0.08","1184.43","","","","293","","","","","","","","","4","P -1","-P 1","2","","2,2,2-Trifluoro-1,1-diphenylethanol","","- C14 H11 F3 O -","- C14 H11 F3 O -","- C56 H44 F12 O4 -","4","2","","Boche, G.; Adler, M.; Adler, S.; Marsch, M.; Harms, K.","","Private Communication","2001","","","","","","","","","","","","8.89","","","8.89","","","","","","","","","","","has coordinates","177962","2020-10-21","18:00:00","" "1100238","16.254","0.0006","14.669","0.0006","11.657","0.0005","90","","90","","90","","2779.38","","","","193","","","","","","","","","5","P n m a","-P 2ac 2n","62","","(μ~2~-Dimethylamido-N,N)-(μ~2~-1-naphthoxo)-bis(1,2-bis(dimethylamino)ethane-N,N')-di-lithium","","- C24 H45 Li2 N5 O -","- C36 H83 Li4 N9 O -","- C144 H332 Li16 N36 O4 -","4","0.5","","Boche, G.; Marsch, M.; Harms, K.","","Private Communication","2001","","","","","","","","","","","","8.15","","","8.15","","","","","","","","","","","has coordinates","177962","2020-10-21","18:00:00","" "1100246","11.738","0.009","12.401","0.008","12.538","0.008","115.51","0.03","95.46","0.04","115.22","0.03","1400.66","","","","173","","","","","","","","","6","P -1","-P 1","2","","bis(μ~2~-bis((4-Methoxyphenyl)vinyl)(phenyl)sulfonyl-O,O')-bis(N,N,N',N'-tetr amethylethylenediamine-N,N')-di-lithium","","- C56 H72 Li2 N4 O8 S2 -","- C112 H140 Li4 N8 O16 S4 -","- C112 H140 Li4 N8 O16 S4 -","1","0.5","","K.Harms; M.Marsch; G.Boche","","Private Communication","2001","","","","","","","","","","","","3.88","","","3.88","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00","" "1100247","6.9896","0.0006","10.791","0.0009","10.8567","0.0009","112.96","0.009","102.224","0.01","99.372","0.01","708.959","","","","193","","","","","","","","","3","P -1","-P 1","2","","3,5,6,8-Tetramethyldeca-1,9-diene-4,7-diol","","- C14 H26 O2 -","- C28 H52 O4 -","- C56 H104 O8 -","2","1","","K.Harms","","Private Communication","2001","","","","","","","","","","","","4.02","","","4.02","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00","" "1100248","7.8808","0.0015","15.3984","0.0009","11.8722","0.0015","90","","108.801","0.009","90","","1363.84","","","","","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","1,8-Dihydroxy-2,4,5,7-tetramethyloctane-3,6-diyl bis(4-methoxybenzenecarboxyla te)","","- C28 H38 O8 -","- C56 H76 O16 -","- C112 H152 O32 -","2","0.5","","K.Harms","","Private Communication","2001","","","","","","","","","","","","6.76","","","6.76","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00","" "1100249","7.2624","0.0004","8.541","0.0005","30.4681","0.0018","90","","90","","90","","1889.88","","","","193","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","7-Neomenthyloxycarbonyl-7-azatricyclo(4.2.2.1^2,5^)undec-3,9-dien-8-one","","- C21 H29 N O3 -","- C21 H29 N O3 -","- C84 H116 N4 O12 -","4","1","","Bach, Thorsten; Bergmann, Hermann; Harms, Klaus","Enantioselective Photochemical Reactions of 2-Pyridones in Solution","Organic Letters","2001","3","4","601","603","10.1021/ol007004t","","","","","","","3.44","","","3.44","","","","","","","","","","","has coordinates","177549","2020-10-21","18:00:00","" "1100259","10.8874","0.0007","11.2061","0.0009","14.4504","0.0012","90","","108.246","0.007","90","","1674.38","","","","193","","","","","","","","","4","P 1 21 1","P 2yb","4","","(1R)-2-(5-Pyrimidinyl)-8-azoniabicyclo(3.2.1)oct-2-ene oxalate 2-propanol solvate","","- C16 H23 N3 O5 -","- C16.5 H23.5 N3 O5.5 -","- C66 H94 N12 O22 -","4","2","","Gündisch, Daniela; Harms, Klaus; Schwarz, Simone; Seitz, Gunther; Stubbs, Milton T.; Wegge, Thomas","Synthesis and evaluation of diazine containing bioisosteres of (‒)-ferruginine as ligands for nicotinic acetylcholine receptors","Bioorganic & Medicinal Chemistry","2001","9","10","2683","2691","10.1016/s0968-0896(01)00188-2","","","","","","","5.62","","","5.62","","","","","","","","","","","has coordinates","178074","2020-10-21","18:00:00","" "1100260","15.3323","0.0004","15.3323","0.0004","25.4556","0.0014","90","","90","","120","","5182.37","","","","193","","","","","","","","","7","P -3 c 1","-P 3 2""c","165","","Iodo-tris(triphenylphosphineimine)-sodium tetrahydrofuran solvate","","- C56 H52 I N3 Na O0.5 P3 -","- C182 H180 I N9 Na O4.5 P9 -","- C728 H720 I4 N36 Na4 O18 P36 -","4","0.333333","","Gröb, Thorsten; Müller, Christoph; Massa, W.; Miekisch, Thomas; Seybert, Gert; Harms, Klaus; Dehnicke, Kurt","Die Kristallstrukturen der Phosphanimin-Komplexe [NaI(HNPPh~3~)~3~] und [SrI~2~(HNPPh~3~)~2~(THF)~2~] sowie des Natrium-triphenylphosphaniminats [NaNPPh~3~]~6~","Zeitschrift fuer Anorganische und Allgemeine Chemie","2001","627","9","2191","2197","10.1002/1521-3749(200109)627:9<2191::AID-ZAAC2191>3.0.CO;2-T","","","","","","","4.17","","","4.17","","","","","","","","","","","has coordinates","176966","2020-10-21","18:00:00","" "1100261","14.5708","0.001","14.8493","0.0014","15.0272","0.001","116.32","0.01","115.358","0.01","93.585","0.014","2502.37","","","","213","","","","","","","","","5","P -1","-P 1","2","","hexakis((μ~3~-Triphenylphosphineiminato)-sodium) toluene solvate","","- C115 H98 N6 Na6 P6 -","- C234 H220 N12 Na12 P12 -","- C234 H220 N12 Na12 P12 -","1","0.5","","Gröb, Thorsten; Müller, Christoph; Massa, W.; Miekisch, Thomas; Seybert, Gert; Harms, Klaus; Dehnicke, Kurt","Die Kristallstrukturen der Phosphanimin-Komplexe [NaI(HNPPh~3~)~3~] und [SrI~2~(HNPPh~3~)~2~(THF)~2~] sowie des Natrium-triphenylphosphaniminats [NaNPPh~3~]~6~","Zeitschrift fuer Anorganische und Allgemeine Chemie","2001","627","9","2191","2197","10.1002/1521-3749(200109)627:9<2191::AID-ZAAC2191>3.0.CO;2-T","","","","","","","5.2","","","5.2","","","","","","","","","","","has coordinates","176966","2020-10-21","18:00:00","" "1100262","10.4289","0.0008","13.3744","0.001","20.9511","0.0014","90.13","0.008","96.31","0.008","111.985","0.008","2690.36","","","","193","","","","","","","","","7","P -1","-P 1","2","","trans-Di-iodo-bis(tetrahydrofuran)-bis(triphenylphosphineimine)-strontium tetr ahydrofuran solvate","","- C52 H64 I2 N2 O4 P2 Sr -","- C52 H64 I2 N2 O4 P2 Sr -","- C104 H128 I4 N4 O8 P4 Sr2 -","2","1","","Gröb, Thorsten; Müller, Christoph; Massa, W.; Miekisch, Thomas; Seybert, Gert; Harms, Klaus; Dehnicke, Kurt","Die Kristallstrukturen der Phosphanimin-Komplexe [NaI(HNPPh~3~)~3~] und [SrI~2~(HNPPh~3~)~2~(THF)~2~] sowie des Natrium-triphenylphosphaniminats [NaNPPh~3~]~6~","Zeitschrift fuer Anorganische und Allgemeine Chemie","2001","627","9","2191","2197","10.1002/1521-3749(200109)627:9<2191::AID-ZAAC2191>3.0.CO;2-T","","","","","","","3.1","","","3.1","","","","","","","","","","","has coordinates","176966","2020-10-21","18:00:00","" "1100272","9.1764","0.0006","13.1644","0.001","30.036","0.003","90","","95.112","0.008","90","","3613.97","","","","213","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(N-(2',4',6'-tris-t-butylphenyl)-E-pent-1-enamide)-tris(tetrahydrofuran)-lithium","","- C35 H62 Li N O3 -","- C38 H71 Li N O3 -","- C152 H284 Li4 N4 O12 -","4","1","","Bosold, F.; Marsch, M.; Harms, K.; Boche, G.","Crystal structure of (3THF)-N-lithiium-N-(2',4',6'-tris-t-butyl-phenyl)-E'pentene(1)-amide, C~35~H~62~LiNO~3~","Zeitschrift für Kristallographie - New Crystal Structures","2001","216","1-4","427","428","10.1524/ncrs.2001.216.14.449","","","","","","","7.85","","","7.85","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "1100703","11.445","0.005","13.146","0.005","17.529","0.005","100.182","0.005","92.571","0.005","115.658","0.005","2317.8","1.5","163","2","163","2","","","","","","","","6","P -1","-P 1","2","","","","- C36 H36 Ag4 N12 O13 S4 -","- C36 H36 Ag4 N12 O13 S4 -","- C72 H72 Ag8 N24 O26 S8 -","2","1","","Caradoc-Davies, Paula L.; Hanton, Lyall R.; Henderson, William","Coordination polymers and isomerism; a study using silver(I) and a π-stacked ligand","Journal of the Chemical Society, Dalton Transactions","2001","","19","2749","2755","10.1039/b104284j","","","0.71069","MoKα","","0.0659","0.039","","","0.0979","0.1061","","","","","","0.951","","","","has coordinates,has disorder","180573","2020-10-21","18:00:00","" "1100704","9.182","0.002","9.182","0.002","52.48","0.018","90","","90","","120","","3831.7","1.9","163","2","163","2","","","","","","","","7","P 65 2 2","P 65 2 (0 0 1)","179","","","","- C20 H22 Ag2 Cl2 N4 O8 S2 -","- C20 H22 Ag2 Cl2 N4 O8 S2 -","- C120 H132 Ag12 Cl12 N24 O48 S12 -","6","0.5","","Caradoc-Davies, Paula L.; Hanton, Lyall R.","Formation of a Single-Stranded Silver(I) Helical Coordination Polymer Containing π-Stacked Planar Chiral N~4~S~2~ Ligands","Chemical Communications (Cambridge, United Kingdom)","2001","","12","1098","1099","10.1039/b101875m","","","0.71073","MoKα","","0.0434","0.042","","","0.0887","0.0893","","","","","","1.177","","","","has coordinates","176868","2020-10-21","18:00:00","" "1101057","10.046","0.002","13.354","0.003","13.128","0.003","90","","112.08","0.03","90","","1631.9","0.6","297","2","297","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C10 H12 Cl2 N8 O4 Pt -","- C10 H12 Cl2 N8 O4 Pt -","- C40 H48 Cl8 N32 O16 Pt4 -","4","1","","Salas, Juan M.; Quirós, Miguel; Abul Haj, Mohammad; Magán, Rosa; Marín, Clotilde; Sáchez-Moreno, Manuel; Faure, René","Activity of Pt(II) and Ru(III) Triazolopyrimidine Complexes Against Parasites of the Genus Leishmania, Trypanosomas and Phytomonas","Metal-Based Drugs","2001","8","3","119","124","10.1155/MBD.2001.119","","","","","","","","","","","","","","","","","","","","","has coordinates","199777","2020-10-21","18:00:00","" "1101058","5.3881","0.0007","18.245","0.002","8.71","0.0008","90","","97.946","0.009","90","","848.04","0.17","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C10 H8 Ag2 N10 O8 -","- C10 H8 Ag2 N10 O8 -","- C20 H16 Ag4 N20 O16 -","2","0.5","","Mohammad Abul Haj; Miguel Quirós; Juan M. Salas; René Faure","Silver complexes with triazolopyrimidine ligands containing an exocyclic oxygen atom: X-ray evidence for an unusual tautomeric form.","Dalton Transactions","2001","","","1798","1801","10.1039/B100869M","","","","","","","","","","","","","","","","","","","","","has coordinates","201202","2020-10-21","18:00:00","" "1101059","5.6419","0.0011","8.6644","0.0017","11.136","0.002","74.07","0.03","81.49","0.03","76.53","0.03","507.02","0.17","295","2","295","2","","","","","","","","6","P -1","-P 1","2","","","","- C10 H12 Ag2 Cl2 N8 O12 -","- C10 H12 Ag2 Cl2 N8 O12 -","- C10 H12 Ag2 Cl2 N8 O12 -","1","0.5","","Mohammad Abul Haj; Miguel Quirós; Juan M. Salas; René Faure","Silver complexes with triazolopyrimidine ligands containing an exocyclic oxygen atom: X-ray evidence for an unusual tautomeric form.","Dalton Transactions","2001","","","1798","1801","10.1039/B100869M","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00","" "1101060","6.6046","0.001","14.487","0.002","9.9594","0.0012","90","","93.379","0.01","90","","951.3","0.2","293","2","293","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C5 H4 Ag Cl N4 O5 -","- C5 H4 Ag Cl N4 O5 -","- C20 H16 Ag4 Cl4 N16 O20 -","4","1","","Mohammad Abul Haj; Miguel Quirós; Juan M. Salas; René Faure","Silver complexes with triazolopyrimidine ligands containing an exocyclic oxygen atom: X-ray evidence for an unusual tautomeric form.","Dalton Transactions","2001","","","1798","1801","10.1039/B100869M","","","","","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00","" "1101061","25.778","0.005","13.521","0.003","13.315","0.003","90","","98.06","0.03","90","","4595","1.6","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C36 H32 Ag2 N26 O14 Pt2 -","- C36 H24 Ag2 N26 O14 Pt2 -","- C144 H96 Ag8 N104 O56 Pt8 -","4","0.5","","Mohammad Abul Haj; Miguel Quirós; Juan M. Salas; René Faure","Structure of a tetranuclear heterometallic Ag(I)-Pt(II) complex with a triazolopyrimidine derivative.","Inorganic Chemistry Communications","2001","4","","254","256","10.1016/S1387-7003(01)00190-3","","","","","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00","" "1101078","8.4812","0.0013","10.5077","0.0012","11.8177","0.0013","80.425","0.009","71.135","0.01","86.857","0.011","982.7","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H52 Br1.33 N10.67 O18 -","- C24 H52 Br1.34 N10.66 O17.98 -","- C24 H52 Br1.34 N10.66 O17.98 -","1","0.5","","Manuel G. Basallote; Joaquín Durán; María J. Fernández-Trujillo; M. Ángeles Máñez; Miguel Quirós; Juan M. Salas","","Polyhedron","2001","20","","297","305","10.1016/S0277-5387(00)00630-6","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","201202","2020-10-21","18:00:00","" "1101089","11.4188","0.0011","10.5354","0.0012","14.2058","0.0013","90","","97.179","0.008","90","","1695.6","0.3","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C12 H12 Cl2 N8 O V -","- C12 H12 Cl2 N8 O V -","- C48 H48 Cl8 N32 O4 V4 -","4","1","","Juan Cancela; María J. González Garmendia; Miguel Quirós","","Inorganica Chimica Acta","2001","313","","156","159","10.1016/S0020-1693(00)00373-X","","","","","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00","" "1200001","15.9407","0.0015","9.1737","0.001","19.015","0.002","90","","90","","90","","2780.7","0.5","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","8,9-Dimethoxy-10b-methyl-1-oxo-6,10b-dihydro-5H- thiazolo[2,3-a]isoquinolin-3-one","","- C14 H17 N O4 S -","- C14 H17 N O4 S -","- C112 H136 N8 O32 S8 -","8","1","","Gzella, Andrzej; Rozwadowska, Maria D.; Sulima, Agnieszka","Two dihydro-5H-thiazolinono[2,3-a]isoquinoline S-oxides","Acta Crystallographica, Section C","2001","57","12","1454","1456","10.1107/S0108270101016638","","","1.54178","CuKα","","0.0404","0.0327","","","0.0939","0.098","","","","","","1.064","","","","has coordinates","130149","2020-10-21","18:00:00","" "1500045","6.5744","0.0001","19.604","0.0004","13.4362","0.0002","90","0.001","92.7382","0.0012","90","","1729.74","0.05","120","2","120","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","Ru(dcbpy)(CO)2Br2.(H2O)","","","- C14 H10 Br2 N2 O7 Ru -","- C14 H10 Br2 N2 O7 Ru -","- C56 H40 Br8 N8 O28 Ru4 -","4","1","","Luukkanen, Saija; Haukka, Matti; Eskelinen, Esa; Pakkanen, Tapani A.; Lehtovuori, Viivi; Kallioinen, Jani; Myllyperkiö, Pasi; Korppi-Tommola, Jouko","Photochemical reactivity of halogen-containing ruthenium‒dcbpy (dcbpy = 4,4'-dicarboxylic acid-2,2'-bipyridine) compounds, trans(Br)-[Ru(dcbpy)(CO)2Br2] and trans(I)-[Ru(dcbpy)(CO)2I2]","Physical Chemistry Chemical Physics","2001","3","11","1992","","10.1039/b100659m","","","0.71073","MoKα","","0.0256","0.0234","","","0.0612","0.0626","","","","","","1.062","","","","has coordinates","176729","2020-10-21","18:00:00","" "1500046","23.8522","0.0015","7.531","0.0004","14.0178","0.0008","90","","106.009","0.002","90","","2420.4","0.2","571","2","571","2","","","","","","","","8","C 1 2 1","C 2y","5","","","","- C40 H52 Ag2 F6 N O7 P S4 -","- C40 H52 Ag2 F6 N O7 P S4 -","- C80 H104 Ag4 F12 N2 O14 P2 S8 -","2","0.5","","Yoon, Il; Lee, Yoon Hee; Lee, Shim Sung; Lee, Sang Cheol; Park, Sung Bae","S2O2 donor cyclic and acyclic ionophores: Potentiometric sensing for Ag(i) and a new nitrate-bridged dimeric Ag(i) complex of the acyclic ionophore with an unusual structure","The Analyst","2001","126","10","1773","","10.1039/b105136a","","","0.71073","MoKα","","0.0383","0.034","","","0.095","0.0989","","","","","","1.03","","","","has coordinates","287927","2023-12-01","08:31:07","" "1501632","8.9906","0.00014","8.9906","0.00014","6.648","0.00011","90","","90","","90","","537.364","0.015","100","1","100","1","","","","","","","","4","I -4 2 m","I -4 2","121","strontium copper borate","","","- B2 Cu2 O6 Sr -","- B2 Cu2 O6 Sr -","- B8 Cu8 O24 Sr4 -","4","0.25","","Sparta, K; Redhammer, G J; Roussel, P; Heger, G; Roth, G; Lemmens, P; Ionescu, A; Grove, M; Guentherodt, G; Huehning, F; Lueken, H; Kageyama, H.; Onizuka, K; Ueda, Y","Structural phase transition in the 2D spin dimer compound SrCu2(BO3)2","The European Physical Journal B","2001","19","","507-516","","","","","0.71069","MoKα","","0.0177","0.0175","","","0.0402","0.0402","","","","","","1.989","","","","has coordinates,has Fobs","176729","2020-10-21","18:00:00","" "1501633","9.005","0.002","9.005","0.002","6.647","0.002","90","","90","","90","","539","0.2","423","2","423","2","","","","","","","","4","I 4/m c m","-I 4 2c","140","strontium copper borate","","","- B2 Cu2 O6 Sr -","- B2 Cu2 O6 Sr -","- B8 Cu8 O24 Sr4 -","4","0.125","","Sparta, K; Redhammer, G J; Roussel, P; Heger, G; Roth, G; Lemmens, P; Ionescu, A; Grove, M; Guentherodt, G; Huehning, F; Lueken, H; Kageyama, H.; Onizuka, K; Ueda, Y","Structural phase transition in the 2D spin dimer compound SrCu2(BO3)2","The European Physical Journal B","2001","19","","507-516","","","","","0.71069","MoKα","","0.0155","0.0154","","","0.0399","0.0399","","","","","","1.984","","","","has coordinates,has Fobs","176729","2020-10-21","18:00:00","" "1507499","21.335","0.0006","9.315","0.0002","14.491","0.0004","90","0.0017","102.995","0.0019","90","0.003","2806.12","0.13","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C12 H13 Br Cl N3 S -","- C12 H13 Br Cl N3 S -","- C96 H104 Br8 Cl8 N24 S8 -","8","2","","Schröder, Jörg; Henke, Andreas; Wenzel, Herbert; Brandstetter, Hans; Stammler, Hans G.; Stammler, Anja; Pfeiffer, Wolf D.; Tschesche, Harald","Structure-Based Design and Synthesis of Potent Matrix Metalloproteinase Inhibitors Derived from a 6H-1,3,4-Thiadiazine Scaffold","Journal of Medicinal Chemistry","2001","44","20","3231","","10.1021/jm010887p","","","0.71073","MoKα","","0.0699","0.0456","","","0.0813","0.0881","","","","","","1.037","","","","has coordinates","176729","2020-10-21","18:00:00","" "1507500","8.712","0.001","12.524","0.002","8.438","0.001","90","","117.2","0.1","90","","818.9","0.8","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C7 H9 N5 -","- C7 H9 N5 -","- C28 H36 N20 -","4","1","","Pedireddi, V. R.; Ranganathan, Anupama; Ganesh, Krishna N.","Cyanurate Mimics of Hydrogen-Bonding Patterns of Nucleic Bases: Crystal Structure of a 1:1 Molecular Complex of 9-Ethyladenine andN-Methylcyanuric Acid","Organic Letters","2001","3","1","99","","10.1021/ol006811p","","","0.71073","MoKα","","0.1171","0.0665","","0.1785","0.1423","","","","1.136","1.23","1.23","","","","","has coordinates","201954","2020-10-21","18:00:00","" "1507501","6.15","0.001","10.433","0.001","14.725","0.002","74.73","0.01","87.33","0.01","86.8","0.01","909.5","0.2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C20 H20 Cl N O2 S -","- C20 H20 Cl N O2 S -","- C40 H40 Cl2 N2 O4 S2 -","2","1","","Greig, Ian R.; Tozer, Matthew J.; Wright, Paul T.","Synthesis of Cyclic Sulfonamides through Intramolecular Diels−Alder Reactions","Organic Letters","2001","3","3","369","","10.1021/ol006863e","","","0.71073","MoKα","","0.0411","0.0358","","","0.0909","0.0946","","","","","","1.051","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00","" "1507502","12.398","0.003","9.766","0.003","16.128","0.003","90","","95.65","0.02","90","","1943.3","0.8","160","2","160","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C21 H22 Cl N O2 S -","- C21 H22 Cl N O2 S -","- C84 H88 Cl4 N4 O8 S4 -","4","2","","Greig, Ian R.; Tozer, Matthew J.; Wright, Paul T.","Synthesis of Cyclic Sulfonamides through Intramolecular Diels−Alder Reactions","Organic Letters","2001","3","3","369","","10.1021/ol006863e","","","0.71073","MoKα","","0.0503","0.0432","","0.1151","0.1056","","","","1.037","1.054","1.054","","","","","has coordinates","176729","2020-10-21","18:00:00","" "1507503","13.0629","0.0015","5.3745","0.0006","17.45","0.002","90","","99.449","0.002","90","","1208.5","0.2","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","α-benzamidoacetophenone","","","- C15 H13 N O2 -","- C15 H13 N O2 -","- C60 H52 N4 O8 -","4","1","","Mandel, Sarah M.; Krause Bauer, Jeanette A.; Gudmundsdottir, Anna D.","Photolysis of α-Azidoacetophenones: Trapping of Triplet Alkyl Nitrenes in Solution","Organic Letters","2001","3","4","523","","10.1021/ol0068750","","","0.71073","MoKα","","0.1252","0.0582","","","0.1213","0.1489","","","","","","1.155","","","","has coordinates","201954","2020-10-21","18:00:00","" "1507504","15.8166","0.0004","15.9376","0.0002","16.5142","0.0006","68.705","0.002","66.989","0.001","67.819","0.002","3432.7","0.17","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C70 H81 Cl3 N6 O9 -","- C70 H76 Cl3 N6 O9 -","- C140 H152 Cl6 N12 O18 -","2","1","","Ballester, Pablo; Capó, Magdalena; Costa, Antoni; Deyà, Pere M.; Gomila, Rosa; Decken, Andreas; Deslongchamps, Ghislain","Selective Binding ofcis-1,3,5-Cyclohexane Tricarboxylic Acid vs Its EpimerictransIsomer by a Tripodal Amidopyridine Receptor; Crystal Structures of the 1:1 Complexes","Organic Letters","2001","3","2","267","","10.1021/ol0069148","","","0.71073","MoKα","","0.2635","0.1206","","0.3999","0.295","","","","1.014","1.275","1.275","","","","","has coordinates","176729","2020-10-21","18:00:00","" "1507505","17.264","0.002","29.223","0.003","28.645","0.003","90","","95.776","0.004","90","","14378","3","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C71 H84 N6 O9 -","- C71 H88 N6 O9 -","- C568 H704 N48 O72 -","8","1","","Ballester, Pablo; Capó, Magdalena; Costa, Antoni; Deyà, Pere M.; Gomila, Rosa; Decken, Andreas; Deslongchamps, Ghislain","Selective Binding ofcis-1,3,5-Cyclohexane Tricarboxylic Acid vs Its EpimerictransIsomer by a Tripodal Amidopyridine Receptor; Crystal Structures of the 1:1 Complexes","Organic Letters","2001","3","2","267","","10.1021/ol0069148","","","0.71073","MoKα","","0.3265","0.12","","0.4491","0.3098","","","","1.033","1.324","1.324","","","","","has coordinates","176729","2020-10-21","18:00:00","" "1507506","10.0689","0.0013","10.0689","0.0013","30.962","0.005","90","","90","","120","","2718.5","0.7","213","2","213","2","","","","","","","","4","P 65","P 65","170","","","","- C21 H26 N2 O2 -","- C21 H26 N2 O2 -","- C126 H156 N12 O12 -","6","1","","Myers, Andrew G.; Barbay, Joseph K.","On the Inherent Instability of α-Amino α‘-Fluoro Ketones. Evidence for Their Transformation to Reactive Oxyvinyliminium Ion Intermediates","Organic Letters","2001","3","3","425","","10.1021/ol006931x","","","0.71073","MoKα","","0.0603","0.0454","","","0.1026","0.1109","","","","","","1.023","","","","has coordinates","201954","2020-10-21","18:00:00","" "1507507","9.701","0.0002","15.335","0.0005","16.841","0.0005","90","","101.446","0.002","90","","2455.52","0.12","150.2","","","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","trans-4'-phenyl-3,3,3',3'-tetrakis(trifluoromethyl)-3H- spiro[[2,1]benzoxaselenole-1λ4,1'-[1,2]-selenazetidine]","","- C25 H15 F12 N O Se -","- C25 H15 F12 N O Se -","- C100 H60 F48 N4 O4 Se4 -","4","1","","Kano, Naokazu; Daicho, Yuya; Nakanishi, Nobuhito; Kawashima, Takayuki","Synthesis, Crystal Structure, and Thermolysis of the First Tetracoordinate 1λ4,2-Selenazetidines: Aziridine Formation Reaction from a Four-Membered Heterocycle Bearing Highly Coordinate Selenium","Organic Letters","2001","3","5","691","","10.1021/ol007015m","","","0.7107","MoKα","","","0.0392","","","","0.1178","","","","","","2.154","","","","has coordinates","176435","2020-10-21","18:00:00","" "1507508","11.471","0.001","14.158","0.001","17.121","0.001","73.02","","89.26","","89.44","","2659.1","0.3","293","2","293","2","","","","","","","synthesized","3","P -1","-P 1","2","","12-hydroxy-16-oxatetracyclo(10.3.1.0[1,5]. 0[7,11])hexadec-7(11)ene-2,6-dione ?","","- C15 H18 O4 -","- C15 H18 O4 -","- C120 H144 O32 -","8","4","","Ranganathan, Subramania; Muraleedharan, K. M.; Rao, CH. Chandrashekhar; Vairamani, M.; Karle, Isabella L.","One-Step Transformation of Tricyclopentabenzene (Trindane, C15H18) to Bicyclo(10.3.0)pentadec-1(12)ene- 2,6,7,11-tetrone (C15H18O4) and Its Aldol Product, 12-Hydroxy-16-oxatetracyclo(10.3.1.0.1,507,11)hexadec-7(11)ene-2,6-dione (C15H18O4)⊥","Organic Letters","2001","3","16","2447","","10.1021/ol010086g","","","1.54178","CuKα","","0.098","0.0607","","0.1725","0.1414","","","","1.009","1.044","1.044","","","","","has coordinates","201954","2020-10-21","18:00:00","" "1507509","23.455","0.003","8.073","0.003","5.524","0.002","90","","90","","90","","1046","0.6","120","2","120","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","diphenyldisulphide","diphenyldisulphide","","- C12 H10 S2 -","- C12 H10 S2 -","- C48 H40 S8 -","4","1","","Shimizu, Toshio; Isono, Hiromi; Yasui, Masanori; Iwasaki, Fujiko; Kamigata, Nobumasa","Solid State Optical Activity of Dichalcogenides: Isolation by Chiral Crystallization and Determination of Absolute Configuration","Organic Letters","2001","3","23","3639","","10.1021/ol010172g","","","0.71073","MoKα","","0.0193","0.019","","","0.0551","0.0554","","","","","","1.02","","","","has coordinates","201954","2020-10-21","18:00:00","" "1507510","9.0192","0.0012","4.9332","0.0006","15.1987","0.0019","90","","106.981","0.002","90","","646.76","0.14","213","2","213","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C13 H14 Br Cl O3 -","- C12 H12 Br Cl O3 -","- C24 H24 Br2 Cl2 O6 -","2","1","","Evans, David A.; Burch, Jason D.","Asymmetric Synthesis of the Chlorocyclopropane-Containing Callipeltoside A Side Chain","Organic Letters","2001","3","4","503","","10.1021/ol0155182","","","0.71073","MoKα","","0.0597","0.0393","","","0.0952","0.1046","","","","","","0.931","","","","has coordinates","201954","2020-10-21","18:00:00","" "1507511","9.3178","0.0011","26.18","0.003","9.0683","0.001","90","","90.272","0.002","90","","2212.1","0.4","133","2","133","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C28 H32 N2 O3 -","- C28 H32 N2 O3 -","- C112 H128 N8 O12 -","4","1","","Nelsen, Stephen F.; Li, Gaoquan; Konradsson, Asgeir","Twist-Dependent Electronic Coupling in an Organic Intervalence Radical Cation","Organic Letters","2001","3","10","1583","","10.1021/ol015874k","","","0.71073","MoKα","","0.079","0.0534","","","0.1318","0.145","","","","","","1.05","","","","has coordinates","176729","2020-10-21","18:00:00","" "1507512","9.8354","0.001","9.7459","0.0009","12.7953","0.0013","90","","92.642","0.002","90","","1225.2","0.2","223","2","223","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C24 H25 Br2 O6 -","- C24 H25 Br2 O6 -","- C48 H50 Br4 O12 -","2","1","","Hu, Yongbo; Li, Chaomin; Kulkarni, Bheemashankar A.; Strobel, Gary; Lobkovsky, Emil; Torczynski, Richard M.; Porco, John A.","Exploring Chemical Diversity of Epoxyquinoid Natural Products: Synthesis and Biological Activity of (−)-Jesterone and Related Molecules","Organic Letters","2001","3","11","1649","","10.1021/ol0159367","","","0.71073","MoKα","","0.0571","0.0362","","","0.0737","0.0819","","","","","","0.867","","","","has coordinates","194547","2020-10-21","18:00:00","" "1507513","8.653","0.001","10.035","0.002","12.381","0.002","102.262","0.012","110.021","0.011","103.18","0.01","932.6","0.3","293","","293","","","","","","","","","3","P -1","-P 1","2","","","","- C17 H30 O4 -","- C17 H30 O4 -","- C34 H60 O8 -","2","1","","de Armas, Pedro; García-Tellado, Fernando; Marrero-Tellado, José J.; Tejedor, David; Maestro, Miguel A.; Gonzalez-Platas, Javier","Alkynoates as a Source of Reactive Alkylinides for Aldehyde Addition Reactions","Organic Letters","2001","3","12","1905","","10.1021/ol015951b","","","0.71073","MoKα","","0.1349","0.0744","","0.2602","","0.2188","","","1.053","","","1.053","","","","has coordinates","176729","2020-10-21","18:00:00","" "1507514","19.646","0.004","5.849","0.001","29.643","0.006","90","","101.67","0.03","90","","3335.8","1.2","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H12 N2 S5 -","- C15 H12 N2 S5 -","- C120 H96 N16 S40 -","8","2","","Jia, Chunyang; Zhang, Deqing; Xu, Wei; Zhu, Daoben","A New Approach to 4-Alkylthio-1,3-dithiole-2-thione: An Unusual Reaction of a Zinc Complex of 1,3-Dithole-2-thione-4,5-dithiolate","Organic Letters","2001","3","12","1941","","10.1021/ol015990n","","","0.71073","MoKα","","0.0626","0.0384","","","0.1007","0.1082","","","","","","0.862","","","","has coordinates","288258","2023-12-12","16:01:19","" "1507515","12.996","0.003","7.934","0.002","22.205","0.004","90","","109.62","0.03","90","","2156.6","0.9","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C9 H7 N S4 -","- C9 H7 N S4 -","- C72 H56 N8 S32 -","8","1","","Jia, Chunyang; Zhang, Deqing; Xu, Wei; Zhu, Daoben","A New Approach to 4-Alkylthio-1,3-dithiole-2-thione: An Unusual Reaction of a Zinc Complex of 1,3-Dithole-2-thione-4,5-dithiolate","Organic Letters","2001","3","12","1941","","10.1021/ol015990n","","","0.71073","MoKα","","0.0409","0.0357","","","0.1062","0.1099","","","","","","1.132","","","","has coordinates","201954","2020-10-21","18:00:00","" "1507516","12.105","0.001","12.145","0.004","13.547","0.002","74.72","0.02","66.281","0.008","81.38","0.02","1756.8","0.7","150","","150","","","","","","","","","4","P -1","-P 1","2","","","","- C70 H100 B4 O26 -","- C70 H60 B4 O26 -","- C70 H60 B4 O26 -","1","0.5","","Davis, Claude J.; Lewis, Patrick T.; Billodeaux, Damon R.; Fronczek, Frank R.; Escobedo, Jorge O.; Strongin, Robert M.","Solid-State Supramolecular Structures of Resorcinol−Arylboronic Acid Compounds","Organic Letters","2001","3","16","2443","","10.1021/ol0160194","","","0.71073","Mo-Kα","","0.151","0.084","","0.095","0.089","","","","3.931","3.697","3.697","","","","","has coordinates","176435","2020-10-21","18:00:00","" "1507517","10.6837","0.0004","6.2994","0.0003","18.8641","0.0008","90","","102.031","0.003","90","","1241.68","0.09","198.2","","198.2","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C23 H37 N O5 S Si -","- C23 H37 N O5 S Si -","- C46 H74 N2 O10 S2 Si2 -","2","1","","Fenster, Michaël D. B.; Patrick, Brian O.; Dake, Gregory R.","Construction of Azaspirocyclic Ketones through α-Hydroxyiminium Ion or α-Siloxy Epoxide Semipinacol Rearrangements","Organic Letters","2001","3","13","2109","","10.1021/ol0160708","","","0.7107","MoKα","","0.0511","0.03","","0.0814","","0.039","","","1.221","","","1.221","","","","has coordinates","201954","2020-10-21","18:00:00","" "1507518","21.9379","0.0008","13.6295","0.0004","23.4087","0.0008","90","","95.352","0.001","90","","6968.7","0.4","173.2","","173.2","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H26 N2 O7 S -","- C24 H26 N2 O7 S -","- C288 H312 N24 O84 S12 -","12","3","","Fenster, Michaël D. B.; Patrick, Brian O.; Dake, Gregory R.","Construction of Azaspirocyclic Ketones through α-Hydroxyiminium Ion or α-Siloxy Epoxide Semipinacol Rearrangements","Organic Letters","2001","3","13","2109","","10.1021/ol0160708","","","0.7107","MoKα","","0.0724","0.038","","0.1043","","0.045","","","0.966","","","0.97","","","","has coordinates","176435","2020-10-21","18:00:00","" "1507519","24.646","0.005","10.612","0.002","13.602","0.003","90","","90","","90","","3557.5","1.3","213","2","213","2","","","","","","","","5","A b a 2","A 2 -2ab","41","","","","- C16 H11 Cl3 O S3 -","- C16 H11 Cl3 O S3 -","- C128 H88 Cl24 O8 S24 -","8","","","Marsella, Michael J.; Yoon, Kunsang; Tham, Fook S.","Synthesis and Crystal Structure of a Tubular Sexithiophene","Organic Letters","2001","3","13","2129","","10.1021/ol016122t","","","0.71073","MoKα","","0.1175","0.0749","","","0.2001","0.2329","","","","","","1.017","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00","" "1507520","8.1348","0.0004","12.0317","0.0005","20.4322","0.0009","90","","90","","90","","1999.81","0.16","173","2","173","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C13 H12 O3 -","- C13 H12 O3 -","- C104 H96 O24 -","8","1","","Harmata, Michael; Rashatasakhon, Paitoon","A 4 + 3 Cycloaddition Approach to the Synthesis of Spatol. A Formal Total Synthesis of Racemic Spatol","Organic Letters","2001","3","16","2533","","10.1021/ol016200c","","","0.71073","MoKα","","0.0472","0.0398","","","0.1058","0.1118","","","","","","1.052","","","","has coordinates","176729","2020-10-21","18:00:00","" "1507521","8.9084","0.0007","10.0653","0.0008","14.7694","0.0011","84.534","0.002","84.355","0.002","78.48","0.002","1287.45","0.17","223","2","223","2","","","","","","","","3","P -1","-P 1","2","","","","- C15 H20 O2 -","- C15 H20 O2 -","- C60 H80 O8 -","4","2","","Loh, Teck-Peng; Hu, Qi-Ying; Tan, Kui-Thong; Cheng, Hin-Soon","Diverse Cyclization Catalyzed by In(OTf)3for the Convergent Assembly of Substituted Tetrahydrofurans and Tetrahydropyrans","Organic Letters","2001","3","17","2669","","10.1021/ol016228o","","","0.71073","MoKα","","0.0865","0.0566","","","0.1213","0.1309","","","","","","1.005","","","","has coordinates","201954","2020-10-21","18:00:00","" "1507522","6.4313","0.0001","11.6244","0.0001","22.4048","0.0003","90","","90","","90","","1674.98","0.04","153","2","153","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H26 O5 S -","- C16 H26 O5 S -","- C64 H104 O20 S4 -","4","1","","Yu, Ming; Lynch, Vincent; Pagenkopf, Brian L.","Intramolecular Cyclopropanation of Glycals: Studies toward the Synthesis of Canadensolide, Sporothriolide, and Xylobovide","Organic Letters","2001","3","16","2563","","10.1021/ol016239h","","","0.71073","MoKα","","0.0566","0.0524","","","0.1425","0.1443","","","","","","1.135","","","","has coordinates","201954","2020-10-21","18:00:00","" "1507523","15.01","0.003","9.2219","0.0016","20.202","0.004","90","","101.725","0.004","90","","2738","0.9","173","2","173","2","","","","","","","","2","P 1 21/n 1","-P 2yn","14","","7,16-Diphenylfluorantheneo[8,9-k]fluoranthene","","- C42 H24 -","- C42 H24 -","- C168 H96 -","4","1","","Neudorff, Wolf Dietrich; Schulte, Niels; Lentz, Dieter; Schlüter, A. Dieter","8,9-Didehydrofluoranthenes as Building Blocks for the Synthesis of Extended Polycyclic Aromatic Hydrocarbons (PAHs)","Organic Letters","2001","3","20","3115","","10.1021/ol016391j","","","0.71073","MoKα","","0.0732","0.0464","","","0.119","0.1302","","","","","","1.047","","","","has coordinates","201954","2020-10-21","18:00:00","" "1507524","7.926","0.0016","8.64","0.0017","26.257","0.005","90","","93.35","0.03","90","","1795","0.6","173","1","173","1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C17 H23 N3 O5 -","- C17 H23 N3 O5 -","- C68 H92 N12 O20 -","4","1","","Hughes, Freddie; Grossman, Robert B.","A Heterocycle-Forming Double Michael Reaction. [5 + 1] Annulation Route to Highly Substituted and Functionalized Piperidines","Organic Letters","2001","3","18","2911","","10.1021/ol016395o","","","0.71073","MoKα","","0.0704","0.0508","","","0.1081","0.1169","","","","","","1.076","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00","" "1507525","6.563","0.0004","10.748","0.0006","22.495","0.0012","90","","90","","90","","1586.78","0.16","173","1","173","1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C14 H21 N3 O5 -","- C14 H21 N3 O5 -","- C56 H84 N12 O20 -","4","1","","Hughes, Freddie; Grossman, Robert B.","A Heterocycle-Forming Double Michael Reaction. [5 + 1] Annulation Route to Highly Substituted and Functionalized Piperidines","Organic Letters","2001","3","18","2911","","10.1021/ol016395o","","","0.71073","MoKα","","0.054","0.0435","","","0.0865","0.0897","","","","","","1.092","","","","has coordinates","201954","2020-10-21","18:00:00","" "1507526","29.928","0.004","9.445","0.001","18.951","0.003","90","","120.43","0.01","90","","4619","1.2","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C20 H25 F3 N2 O8 -","- C20 H23.634 F3 N2 O8 -","- C160 H189.072 F24 N16 O64 -","8","1","","Hughes, Freddie; Grossman, Robert B.","A Heterocycle-Forming Double Michael Reaction. [5 + 1] Annulation Route to Highly Substituted and Functionalized Piperidines","Organic Letters","2001","3","18","2911","","10.1021/ol016395o","","","0.7107","MoKα","","0.0705","0.0497","","","0.1181","0.1301","","","","","","1.03","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00","" "1507527","12.541","0.003","8.7123","0.0004","12.566","0.003","90","","118.02","0.03","90","","1212","0.5","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C11 H15 Br O4 -","- C11 H15 Br O4 -","- C44 H60 Br4 O16 -","4","1","","Runcie, Karen A.; Taylor, Richard J. K.","A Short and Efficient Route to Novel Scyphostatin Analogues","Organic Letters","2001","3","21","3237","","10.1021/ol0164132","","","0.71073","MoKα","","0.0541","0.0283","","","0.0666","0.0746","","","","","","1.032","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00","" "1507528","7.069","0.0016","18.263","0.004","5.618","0.0017","90","","110.236","0.018","90","","680.5","0.3","298","2","298","2","","","","","","","","2","P 1 21/n 1","-P 2yn","14","","1,4-diphenylcyclohexane ?","","- C18 H20 -","- C18 H20 -","- C36 H40 -","2","0.5","","Tukada, Hideyuki; Mochizuki, Katsura","Long-Range Magnetic Interactions intrans-1,4-Cyclohexylene- and 1,3-Adamantylene-bis(p-nitrenylbenzene) by π−σ−π Hyperconjugation","Organic Letters","2001","3","21","3305","","10.1021/ol0165241","","","0.71073","MoKα","","0.0703","0.0638","","","0.1455","0.1483","","","","","","1.144","","","","has coordinates","176729","2020-10-21","18:00:00","" "1507529","18.995","0.005","18.995","0.005","7.835","0.004","90","","90","","120","","2448.2","1.5","298","2","298","2","","","","","","","","2","P 3 1 c","P 3 -2c","159","","1,3-diphenyladamantane ?","","- C22 H24 -","- C22 H24 -","- C132 H144 -","6","1","","Tukada, Hideyuki; Mochizuki, Katsura","Long-Range Magnetic Interactions intrans-1,4-Cyclohexylene- and 1,3-Adamantylene-bis(p-nitrenylbenzene) by π−σ−π Hyperconjugation","Organic Letters","2001","3","21","3305","","10.1021/ol0165241","","","0.71073","MoKα","","0.13","0.0579","","","0.1134","0.1436","","","","","","1.062","","","","has coordinates","201954","2020-10-21","18:00:00","" "1507530","12.5856","0.0012","9.9628","0.0015","20.218","0.002","90","","92.877","0.013","90","","2531.9","0.5","148","","148","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","phenyl (5S^*^,7^*^,10S^*^)-6,13-diaza-3-hydroxy-5-(2-methylpropyl)-13- (phenoxycarbonyl)-pentacyclo[8.2.2.0^1,3^.0^2,7^.0^7,12^]tetradecane- 6-carboxylate","","- C30 H34 N2 O5 -","- C30 H34 N2 O5 -","- C120 H136 N8 O20 -","4","1","","Comins, Daniel L.; Williams, Alfred L.","Model Studies toward the Total Synthesis of theLycopodiumAlkaloid Spirolucidine","Organic Letters","2001","3","20","3217","","10.1021/ol016556o","","","0.71073","MolybdenumKα","","0.055","0.054","","0.052","","0.051","","","","","","1.25","","","","has coordinates","176435","2020-10-21","18:00:00","" "1507531","8.6581","0.0004","9.705","0.0004","16.1393","0.0008","100.945","0.006","94.908","0.006","97.909","0.004","1310.08","0.11","148","","148","","","","","","","","","4","P -1","-P 1","2","","phenyl (1S^*^,3S^*^,10S^*^)-2,8-diaza-3-(2-methylpropyl)-5-oxo-8- (phenoxycarbonyl)-tetracyclo[8.2.2.0^1,6^.0^7,12^]tetradecane-2- carboxylate","","- C30 H34 N2 O5 -","- C30 H34 N2 O5 -","- C60 H68 N4 O10 -","2","1","","Comins, Daniel L.; Williams, Alfred L.","Model Studies toward the Total Synthesis of theLycopodiumAlkaloid Spirolucidine","Organic Letters","2001","3","20","3217","","10.1021/ol016556o","","","0.71073","MolybdenumKα","","0.04","0.039","","0.049","","0.049","","","","","","1.85","","","","has coordinates","176435","2020-10-21","18:00:00","" "1507532","7.7074","0.0015","9.146","0.002","11.804","0.002","87.94","0.03","86.55","0.03","71.33","0.03","786.7","0.3","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C18 H18 N2 O2 -","- C18 H18 N2 O2 -","- C36 H36 N4 O4 -","2","1","","Papaefstathiou, Giannis S.; MacGillivray, Leonard R.","Discrete versus Infinite Molecular Self-Assembly: Control in Crystalline Hydrogen-Bonded Assemblies Based on Resorcinol","Organic Letters","2001","3","24","3835","","10.1021/ol0165948","","","0.7107","MoKα","","0.0652","0.0456","","0.1349","0.1166","","","","1.054","1.102","1.102","","","","","has coordinates","201954","2020-10-21","18:00:00","" "1507533","9.512","0.002","10.731","0.002","16.012","0.004","90","","99.919","0.011","90","","1610","0.6","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H17 Cl N2 O2 -","- C18 H17 Cl N2 O2 -","- C72 H68 Cl4 N8 O8 -","4","1","","Papaefstathiou, Giannis S.; MacGillivray, Leonard R.","Discrete versus Infinite Molecular Self-Assembly: Control in Crystalline Hydrogen-Bonded Assemblies Based on Resorcinol","Organic Letters","2001","3","24","3835","","10.1021/ol0165948","","","0.7107","MoKα","","0.0769","0.0596","","0.1539","0.1413","","","","1.109","1.155","1.155","","","","","has coordinates","201954","2020-10-21","18:00:00","" "1507534","9.254","0.002","11.684","0.002","15.949","0.003","90","","97.13","0.03","90","","1711.1","0.6","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C36 H32 Cl4 N4 O4 -","- C36 H32 Cl4 N4 O4 -","- C72 H64 Cl8 N8 O8 -","2","0.5","","Papaefstathiou, Giannis S.; MacGillivray, Leonard R.","Discrete versus Infinite Molecular Self-Assembly: Control in Crystalline Hydrogen-Bonded Assemblies Based on Resorcinol","Organic Letters","2001","3","24","3835","","10.1021/ol0165948","","","0.7107","MoKα","","0.0403","0.0365","","0.096","0.0925","","","","1.046","1.065","1.065","","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00","" "1507535","6.5976","0.0002","28.7405","0.0009","13.254","0.0004","90","","99.7669","0.0012","90","","2476.78","0.13","112","2","112","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C26 H28 Cr O5 Si -","- C26 H28 Cr O5 Si -","- C104 H112 Cr4 O20 Si4 -","4","1","","Moser, William H.; Sun, Liangdong; Huffman, John C.","Synthesis and Reactivity of Silyl Vinylketenes: A Formal Interrupted Dötz Benzannulation with Unexpected Silyl Migration","Organic Letters","2001","3","21","3389","","10.1021/ol016615y","","","0.71073","MoKα","","","0.0253","","","","0.0283","","","","","","0.9148","","","","has coordinates,has disorder","176435","2020-10-21","18:00:00","" "1507536","43.138","0.013","9.07","0.002","8.544","0.002","90","","90","","90","","3342.9","1.5","123","2","123","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C17 H21 N O4 S -","- C17 H21 N O4 S -","- C136 H168 N8 O32 S8 -","8","1","","Bommezijn, Sacha; Martin, Concepcion Gonzalez; Kennedy, Alan R.; Lizos, Dimitrios; Murphy, John A.","1,4-Pentadienyl-3-sulfonamides: Frameworks for “Disfavored” Radical Cascade Cyclizations","Organic Letters","2001","3","21","3405","","10.1021/ol0166449","","","0.71069","MoKα","","0.139","0.078","","","0.221","0.2554","","","","","","1.102","","","","has coordinates","176729","2020-10-21","18:00:00","" "1507537","4.752","0.0004","13.15","0.0004","15.353","0.0011","90","","90","","90","","959.39","0.11","120","2","120","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C10 H6 O S3 -","- C10 H6 O S3 -","- C40 H24 O4 S12 -","4","1","","Grainger, Richard S.; Procopio, Alberto; Steed, Jonathan W.","A Novel Recyclable Sulfur Monoxide Transfer Reagent","Organic Letters","2001","3","22","3565","","10.1021/ol016678g","","","0.71073","MoKα","","0.0512","0.0402","","","0.089","0.0935","","","","","","1.046","","","","has coordinates","201954","2020-10-21","18:00:00","" "1507538","15.356","0.0006","18.983","0.0005","19.335","0.0008","87.445","0.002","78.993","0.002","66.908","0.002","5086.4","0.3","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C62 H72 O Se -","- C62 H72 O Se -","- C248 H288 O4 Se4 -","4","2","","Goto, Kei; Nagahama, Michiko; Mizushima, Tadashi; Shimada, Keiichi; Kawashima, Takayuki; Okazaki, Renji","The First Direct Oxidative Conversion of a Selenol to a Stable Selenenic Acid: Experimental Demonstration of Three Processes Included in the Catalytic Cycle of Glutathione Peroxidase","Organic Letters","2001","3","22","3569","","10.1021/ol016682s","","","0.71069","MoKα","","0.0664","0.0545","","","0.1467","0.1552","","","","","","1.011","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00","" "1507539","7.0591","0.0017","7.3739","0.0019","18.791","0.005","90","0.004","97.983","0.004","90","0.004","968.7","0.4","298","2","298","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C11 H10 O4 -","- C11 H10 O4 -","- C44 H40 O16 -","4","1","","Parker, Kathlyn A.; Mindt, Thomas L.","Electrocyclic Ring Closure of the Enols of Vinyl Quinones. A2H-Chromene Synthesis","Organic Letters","2001","3","24","3875","","10.1021/ol0167199","","","0.71073","MoKα","","0.0645","0.0488","","","0.1181","0.1261","","","","","","1.052","","","","has coordinates","201954","2020-10-21","18:00:00","" "1507540","13.5","","14.009","","25.886","","90","","94.64","","90","","4879.56","","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C26 H36 N2 O2 -","- C26 H36 N2 O2 -","- C208 H288 N16 O16 -","8","2","","Clayden, Jonathan; Lund, Andrew; Youssef, Latifa H.","Conformational Preference and Remote (1,10) Stereocontrol in Biphenyl-2,2‘-dicarboxamides","Organic Letters","2001","3","26","4133","","10.1021/ol0167457","","","0.71069","MoKα","","0.0514","0.0405","","","0.1203","0.1287","","","","","","1.021","","","","has coordinates","201954","2020-10-21","18:00:00","" "1507541","11.758","0.001","12.186","0.001","13.172","0.001","90","","91.495","0.01","90","","1886.7","0.3","173","1","173","1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C18 H24 N2 O5 -","- C18 H24 N2 O5 -","- C72 H96 N8 O20 -","4","1","","Grossman, Robert B.; Rasne, Ravindra M.","Short Total Syntheses of Both the Putative and Actual Structures of the Clerodane Diterpenoid (±)-Sacacarin by Double Annulation","Organic Letters","2001","3","25","4027","","10.1021/ol016748j","","","0.71073","MoKα","","0.0641","0.0426","","","0.0929","0.1004","","","","","","1.017","","","","has coordinates","176729","2020-10-21","18:00:00","" "1507542","7.636","0.001","11.124","0.002","14.903","0.003","71.179","0.01","79.323","0.01","78.471","0.01","1164","0.4","150","","150","","","","","","","","see text","4","P -1","-P 1","2","","6'-hydroxy-4',4,6-trimethylpyrimidin-2,2'-ylamine","","- C11 H13 N5 O -","- C11 H13 N5 O -","- C44 H52 N20 O4 -","4","2","","Söntjens, Serge H. M; Meijer, Joris T.; Kooijman, Huub; Spek, Anthony L.; van Genderen, Marcel H. P.; Sijbesma, Rint P.; Meijer, E. W.","A Multiple Hydrogen-Bond Scaffold Based on Dipyrimidin-2-ylamine","Organic Letters","2001","3","24","3887","","10.1021/ol016750a","","","0.71073","MoKa","","0.0805","0.0459","","","0.1066","0.12","","","","","","1.038","","","","has coordinates","201954","2020-10-21","18:00:00","" "1507543","14.8775","0.001","8.8583","0.0005","11.1192","0.0007","90","","111.004","0.003","90","","1368.02","0.15","120","2","120","2","","","","","","","synthetic","5","C 1 2/c 1","-C 2yc","15","","","","- C12 H14 N2 O6 S -","- C12 H14 N2 O6 S -","- C48 H56 N8 O24 S4 -","4","0.5","","Hof, Fraser; Iovine, Peter M.; Johnson, Darren W.; Rebek, Julius","Highly Selective Synthesis of Heterosubstituted Aromatic Sulfamides","Organic Letters","2001","3","26","4247","","10.1021/ol0169731","","","1.5418","CuKα","","0.1165","0.1151","","","0.2905","0.2944","","","","","","1.447","","","","has coordinates","176729","2020-10-21","18:00:00","" "1507544","8.3003","0.0005","13.8825","0.0008","11.6167","0.0007","90","","97.16","0.003","90","","1328.14","0.14","118","2","118","2","","","","","","","synthetic","5","P 1 21 1","P 2yb","4","","","","- C25 H45 N3 O4 S -","- C25 H45 N3 O4 S -","- C50 H90 N6 O8 S2 -","2","1","","Hof, Fraser; Iovine, Peter M.; Johnson, Darren W.; Rebek, Julius","Highly Selective Synthesis of Heterosubstituted Aromatic Sulfamides","Organic Letters","2001","3","26","4247","","10.1021/ol0169731","","","1.5418","CuKα","","0.0518","0.0508","","","0.1301","0.1311","","","","","","1.022","","","","has coordinates","176729","2020-10-21","18:00:00","" "1507545","14.1","0.006","11.223","0.005","11.773","0.005","90","","93.343","0.008","90","","1859.8","1.4","296","2","296","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C16 H22 N2 O6 S -","- C16 H22 N2 O6 S -","- C64 H88 N8 O24 S4 -","4","1","","Hof, Fraser; Iovine, Peter M.; Johnson, Darren W.; Rebek, Julius","Highly Selective Synthesis of Heterosubstituted Aromatic Sulfamides","Organic Letters","2001","3","26","4247","","10.1021/ol0169731","","","0.71073","MoKα","","0.0636","0.0594","","","0.1696","0.1761","","","","","","1.06","","","","has coordinates","201954","2020-10-21","18:00:00","" "1507758","7.2489","0.0001","7.2878","0.0001","7.0435","0.0001","96.367","0.001","94.715","0.001","70.286","0.001","347.729","0.009","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- La2 O9 W2 -","- La2 O9 W2 -","- La4 O18 W4 -","2","1","","Laligant, Y; Le Bail, A; Goutenoire, F","Ab Initio Structure Determination of Lanthanum Cyclo-tetratungstate alpha-La2W2O9 from X-ray and Neutron Powder Diffraction","Journal of Solid State Chemistry","2001","159","","223","227","10.1006/jssc.2001.9189","","","1.5939","","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00","" "1508973","4.3553","","4.3553","","11.276","","90","","90","","120","","185.234","","","","","","","","","","","","","4","R -3 m :H","-R 3 2""","166","","Silver indium antimony telluride (0.034/0.037/0.764/0.165)","","- Ag0.034 In0.037 Sb0.764 Te0.165 -","- Ag0.034 In0.037 Sb0.764 Te0.165 -","- Ag0.204 In0.222 Sb4.584 Te0.99 -","6","0.166667","","Matsunaga, T.; Umetami, Y.; Yamada, N.","Structural study of a Ag3.4 In3.7 Sb76.4 Te16.5 quadruple compound utilized for phase-change optical disks","Physical Review, Serie 3. B - Condensed Matter (18,1978-)","2001","64","","184116","","10.1103/PhysRevB.64.184116","","","","","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00","" "1509000","4.2732","","4.2732","","4.2012","","90","","90","","120","","66.437","","","","","","","","","","","","","3","P 6/m m m","-P 6 2","191","","Cerium silver silicide (1/0.57/1.22)","","- Ag0.5728 Ce Si1.2172 -","- Ag0.58 Ce Si1.22 -","- Ag0.58 Ce Si1.22 -","1","0.0416667","","Saccone, A.; Cordruwisch, E.; Ferro, R.; Rogl, P.; Kaczorowski, D.","Constitution, structural chemistry and magnetism in the ternary system Ce - Ag- Si","Journal of Alloys Compd.","2001","320","","308","319","10.1016/S0925-8388(00)01474-2","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00","" "1509001","4.2291","","4.2291","","14.6374","","90","","90","","90","","261.794","","","","","","","","","","","","","3","I 41/a m d :2","-I 4bd 2","141","","Cerium silver silicide (1/0.58/1.42)","","- Ag0.58 Ce Si1.42 -","- Ag0.58 Ce Si1.42 -","- Ag2.32 Ce4 Si5.68 -","4","0.125","","Ferro, R.; Saccone, A.; Kaczorowski, D.; Rogl, P.; Cordruwisch, E.","Constitution, structural chemistry and magnetism in the ternary system Ce - Ag- Si","Journal of Alloys Compd.","2001","320","","308","319","10.1016/S0925-8388(00)01474-2","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00","" "1509013","4.2394","","4.2394","","4.2348","","90","","90","","120","","65.913","","","","","","","","","","","","","3","P 6/m m m","-P 6 2","191","","Cerium silver silicide (1/0.66/1.34)","","- Ag0.66 Ce Si1.34 -","- Ag0.66 Ce Si1.34 -","- Ag0.66 Ce Si1.34 -","1","0.0416667","","Saccone, A.; Kaczorowski, D.; Cordruwisch, E.; Rogl, P.; Ferro, R.","Constitution, structural chemistry and magnetism in the ternary system Ce - Ag- Si","Journal of Alloys Compd.","2001","320","","308","319","10.1016/S0925-8388(00)01474-2","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00","" "1509022","4.4846","","4.4846","","7.2355","","90","","90","","120","","126.022","","","","","","","","","","","","","4","P -3 m 1","-P 3 2""","164","","Lithium manganese silver telluride (1/1.11/0.67/2)","","- Ag0.67 Li Mn1.11 Te2 -","- Ag0.67 Li Mn1.11 Te2 -","- Ag0.67 Li Mn1.11 Te2 -","1","0.0833333","","Kim, J.; Hughbanks, T.","Direct and indirect preparation of layered quaternary manganese tellurides; A Mnx My Te2 (A = Li, Na; M = Cu, Ag; x+y<=2)","Journal of Alloys Compd.","2001","327","","116","120","10.1016/S0925-8388(01)01550-X","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00","" "1509027","4.2352","","4.2352","","14.6983","","90","","90","","90","","263.642","","","","","","","","","","","","","3","I 41/a m d :2","-I 4bd 2","141","","Cerium silver silicide (1/0.7/1.3)","","- Ag0.7 Ce Si1.3 -","- Ag0.7 Ce Si1.3 -","- Ag2.8 Ce4 Si5.2 -","4","0.125","","Rogl, P.; Ferro, R.; Cordruwisch, E.; Saccone, A.; Kaczorowski, D.","Constitution, structural chemistry and magnetism in the ternary system Ce - Ag- Si","Journal of Alloys Compd.","2001","320","","308","319","10.1016/S0925-8388(00)01474-2","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00","" "1509048","4.5408","","4.5408","","7.5727","","90","","90","","120","","135.222","","","","","","","","","","","","","4","P -3 m 1","-P 3 2""","164","","Sodium manganese silver telluride (1/0.97/0.13/2)","","- Ag0.13 Mn0.97 Na Te2 -","- Ag0.13 Mn0.97 Na Te2 -","- Ag0.13 Mn0.97 Na Te2 -","1","0.0833333","","Hughbanks, T.; Kim, J.","Direct and indirect preparation of layered quaternary manganese tellurides; A Mnx My Te2 (A = Li, Na; M = Cu, Ag; x+y<=2)","Journal of Alloys Compd.","2001","327","","116","120","10.1016/S0925-8388(01)01550-X","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00","" "1509070","4.3747","","4.3747","","5.8087","","90","","90","","120","","96.273","","","","","","","","","","","","","4","R -3 m :H","-R 3 2""","166","","Silver indium antimony telluride (0.034/0.037/0.764/0.165)","","- Ag0.034 In0.037 Sb0.764 Te0.165 -","- Ag0.034 In0.037 Sb0.764 Te0.165 -","- Ag0.102 In0.111 Sb2.292 Te0.495 -","3","0.0833333","","Umetami, Y.; Yamada, N.; Matsunaga, T.","Structural study of a Ag3.4 In3.7 Sb76.4 Te16.5 quadruple compound utilized for phase-change optical disks","Physical Review, Serie 3. B - Condensed Matter (18,1978-)","2001","64","","184116","","10.1103/PhysRevB.64.184116","","","","","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00","" "1509086","4.2131","","4.2131","","14.2804","","90","","90","","90","","253.48","","","","","","","","","","","","","3","I 41/a m d :2","-I 4bd 2","141","","Cerium silver silicide (1/0.3/1.7)","","- Ag0.3 Ce Si1.7 -","- Ag0.3 Ce Si1.7 -","- Ag1.2 Ce4 Si6.8 -","4","0.125","","Rogl, P.; Kaczorowski, D.; Saccone, A.; Ferro, R.; Cordruwisch, E.","Constitution, structural chemistry and magnetism in the ternary system Ce - Ag- Si","Journal of Alloys Compd.","2001","320","","308","319","10.1016/S0925-8388(00)01474-2","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00","" "1509152","9.648","","4.661","","9.426","","90","","90","","90","","423.881","","","","","","","","","","","","","4","P m m a","-P 2a 2a","51","","Ag Hg S Br","","- Ag Br Hg S -","- Ag Br Hg S -","- Ag4 Br4 Hg4 S4 -","4","0.5","","Beck, J.; Rompel, M.; Keller, H.L.; Wimbert, L.","Hydrothermalsynthese und Kristallstruktur der Muenzmetall-Quecksilber-Chalkogenidhalogenide Cu Hg Se Br, Ag Hg S Br und Ag Hg S I","Zeitschrift fuer Anorganische und Allgemeine Chemie","2001","627","","2289","2294","10.1002/1521-3749(200109)627:9<2289::AID-ZAAC2289>3.0.CO;2-E","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00","" "1509202","4.0121","","4.0516","","10.5012","","90","","90","","90","","170.701","","","","","","","","","","","","","3","P m m n :2","-P 2ab 2a","59","","Nd Ag As2","","- Ag As2 Nd -","- Ag As2 Nd -","- Ag2 As4 Nd2 -","2","0.25","","Babizhet'sky, V.S.; Kuz'ma, Yu.B.; Demchyna, R.O.","New arsenides Ln Ag As2 (Ln= La, Ce, Pr, Nd, Sm, Gd, Tb, Dy) and their crystal structure","Journal of Alloys Compd.","2001","315","","158","163","10.1016/S0925-8388(00)01273-1","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00","" "1509288","9.682","","6.527","","11.626","","90","","93.84","","90","","733.049","","","","","","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","Cs5 Ag (Si3 O9)","","- Ag Cs5 O9 Si3 -","- Ag Cs5 O9 Si3 -","- Ag2 Cs10 O18 Si6 -","2","0.5","","Amann, P.; Moeller, A.","Neue Cyclosilicate der Alkalielemente: Cs5 Ag Si3 O9 und Cs6 Na6 Si6 O18","Zeitschrift fuer Anorganische und Allgemeine Chemie","2001","627","","172","179","10.1002/1521-3749(200102)627:2<172::AID-ZAAC172>3.0.CO;2-G","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00","" "1509290","5.8657","","2.8062","","6.077","","90","","108.106","","90","","95.076","","","","","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- Ag Cu O2 -","- Ag Cu O2 -","- Ag2 Cu2 O4 -","2","0.5","","Curda, J.; Klein, W.; Jansen, M.","Ag Cu O2 - synthesis, crystal structure and structural relationships with Cu O and Ag(I) Ag(III) O2","Journal of Solid State Chemistry","2001","162","","220","224","10.1006/jssc.2001.9255","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00","" "1509313","7.774","","4.63","","8.988","","90","","90","","90","","323.511","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","Eu Ag Mg","","- Ag Eu Mg -","- Ag1.032 Eu Mg0.968 -","- Ag4.128 Eu4 Mg3.872 -","4","0.5","","Poettgen, R.; Fickenscher, T.","Synthesis and Crystal Structures of REAgMg (RE = La, Ce, Nd, Eu, Gd, Tb, Ho, Tm, and Yb)","Journal of Solid State Chemistry","2001","161","","67","72","10.1006/jssc.2001.9268","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00","" "1509328","5.023","","5.085","","9.976","","89.61","","103.13","","120.9","","211.077","","","","","","","","","","","","","3","P -1","-P 1","2","","Ag (Pd F6)","","- Ag F6 Pd -","- Ag F6 Pd -","- Ag2 F12 Pd2 -","2","1","","Mueller, B.G.; Fischer, R.","Synthese und Kristallstruktur von Silber(II)-Fluoriden Ag M(IV) F6 (M(IV) = Sn, Ti, Pb, Pd, Pt, Rh)","Zeitschrift fuer Anorganische und Allgemeine Chemie","2001","627","","445","452","10.1002/1521-3749(200103)627:3<445::AID-ZAAC445>3.0.CO;2-2","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00","" "1509330","9.7985","","9.7985","","9.7985","","90","","90","","90","","940.76","","","","","","","","","","","","","3","I a -3","-I 2b 2c 3","206","","Ag (Sb F6)","","- Ag F6 Sb -","- Ag F6 Sb -","- Ag8 F48 Sb8 -","8","0.166667","","Tamada, O.; Matsumoto, K.; Hagiwara, R.; Ito, Y.","Crystal structures of Ag A F6 (A = P, As, Sb, Nb, Ta) at ambient temperatures","Journal of Fluorine Chemistry","2001","110","","117","122","10.1016/S0022-1139(01)00418-3","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00","" "1509332","5.204","","5.253","","5.632","","115.67","","89.3","","118.78","","117.807","","","","","","","","","","","","","3","P -1","-P 1","2","","Ag (Sn F6)","","- Ag F6 Sn -","- Ag F6 Sn -","- Ag F6 Sn -","1","0.5","","Fischer, R.; Mueller, B.G.","Synthese und Kristallstruktur von Silber(II)-Fluoriden Ag M(IV) F6 (M(IV) = Sn, Ti, Pb, Pd, Pt, Rh)","Zeitschrift fuer Anorganische und Allgemeine Chemie","2001","627","","445","452","10.1002/1521-3749(200103)627:3<445::AID-ZAAC445>3.0.CO;2-2","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00","" "1509333","4.9949","","4.9949","","9.6051","","90","","90","","90","","239.638","","","","","","","","","","","","","3","P 42/m c m","-P 4c 2c","132","","Ag (Ta F6)","","- Ag F6 Ta -","- Ag F6 Ta -","- Ag2 F12 Ta2 -","2","0.125","","Matsumoto, K.; Hagiwara, R.; Tamada, O.; Ito, Y.","Crystal structures of Ag A F6 (A = P, As, Sb, Nb, Ta) at ambient temperatures","Journal of Fluorine Chemistry","2001","110","","117","122","10.1016/S0022-1139(01)00418-3","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00","" "1509334","5.16","","5.161","","5.675","","116.98","","91.27","","118.47","","112.777","","","","","","","","","","","","","3","P -1","-P 1","2","","Ag (Ti F6)","","- Ag F6 Ti -","- Ag F6 Ti -","- Ag F6 Ti -","1","0.5","","Mueller, B.G.; Fischer, R.","Synthese und Kristallstruktur von Silber(II)-Fluoriden Ag M(IV) F6 (M(IV) = Sn, Ti, Pb, Pd, Pt, Rh)","Zeitschrift fuer Anorganische und Allgemeine Chemie","2001","627","","445","452","10.1002/1521-3749(200103)627:3<445::AID-ZAAC445>3.0.CO;2-2","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00","" "1509372","5.01599","","5.01599","","5.01599","","90","","90","","90","","126.203","","","","","","","","","","","","","3","I m -3 m","-I 4 2 3","229","","(Ag0.513 Hg0.257) (Ag0.487 Hg0.243) I2","","- Ag Hg0.5 I2 -","- Ag1.0008 Hg0.4992 I2 -","- Ag1.0008 Hg0.4992 I2 -","1","0.0104167","","Hull, S.; Keen, D.A.","Structural characterization of further high temperature superionic phases of Ag2 Hg I4 and Cu2 Hg I4","Journal of Physics: Condensed Matter","2001","13","","5597","5610","","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00","" "1509373","4.4833","","4.4833","","7.3252","","90","","90","","120","","127.51","","","","","","","","","","","","","3","P 63/m m c","-P 6c 2c","194","","(Ag0.313 Hg0.157) (Ag0.687 Hg0.343) I2","","- Ag Hg0.5 I2 -","- Ag1.0008 Hg0.5002 I2 -","- Ag1.0008 Hg0.5002 I2 -","1","0.0416667","","Hull, S.; Keen, D.A.","Structural characterization of further high temperature superionic phases of Ag2 Hg I4 and Cu2 Hg I4","Journal of Physics: Condensed Matter","2001","13","","5597","5610","","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00","" "1509375","10.1585","","4.6477","","9.8487","","90","","90","","90","","464.993","","","","","","","","","","","","","4","P m m a","-P 2a 2a","51","","Ag Hg S I","","- Ag Hg I S -","- Ag Hg I S -","- Ag4 Hg4 I4 S4 -","4","0.5","","Keller, H.L.; Rompel, M.; Wimbert, L.; Beck, J.","Hydrothermalsynthese und Kristallstruktur der Muenzmetall-Quecksilber-Chalkogenidhalogenide Cu Hg Se Br, Ag Hg S Br und Ag Hg S I","Zeitschrift fuer Anorganische und Allgemeine Chemie","2001","627","","2289","2294","10.1002/1521-3749(200109)627:9<2289::AID-ZAAC2289>3.0.CO;2-E","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00","" "1509403","6.9972","","8.2733","","6.6939","","90","","90","","90","","387.509","","","","","","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- Ag In S2 -","- Ag In S2 -","- Ag4 In4 S8 -","4","1","","Delgado, G.; Pineda, C.; Mora, A.J.; Tinoco, T.","Simultaneous Rietveld refinement of three phases in the Ag-In-S semiconducting system from x-ray powder diffraction","Materials Research Bulletin","2001","36","","2507","2517","10.1016/S0025-5408(01)00741-3","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00","" "1509417","10.8265","","10.8265","","10.8265","","90","","90","","90","","1269.01","","","","","","","","","","","","","3","F d -3 m :2","-F 4vw 2vw 3","227","","","","- Ag In5 S8 -","- Ag In5 S8 -","- Ag4 In20 S32 -","4","0.0208333","","Pineda, C.; Mora, A.J.; Tinoco, T.; Delgado, G.","Simultaneous Rietveld refinement of three phases in the Ag-In-S semiconducting system from x-ray powder diffraction","Materials Research Bulletin","2001","36","","2507","2517","10.1016/S0025-5408(01)00741-3","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00","" "1509462","14.53","","14.529","","14.533","","90","","90","","90","","3068.01","","","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","Ag Mn (P O3)3","","- Ag Mn O9 P3 -","- Ag Mn O9 P3 -","- Ag16 Mn16 O144 P48 -","16","4","","Balagina, G.M.; Murashova, E.V.; Chudinova, N.N.","Synthesis and crystal structure of the binary polyphosphate Ag Mn (P O3)3","Zhurnal Neorganicheskoi Khimii","2001","46","","1427","1430","","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00","" "1509464","5.424","","26.97","","6.627","","90","","106.81","","90","","928.008","","","","","","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","Ag Mn6 (P2 O7)2 (P3 O10)","","- Ag Mn6 O24 P7 -","- Ag Mn6 O24 P7 -","- Ag2 Mn12 O48 P14 -","2","0.5","","ElMaadi, A.; Bennazha, J.; Holt, E.M.; Boukhari, A.","Identification of a new family of phosphate compounds, A(I) B(II)6 (P2 O7)2 P3 O10: structures of K Mn6 (P2 O7)2 P3 O10 and Ag Mn6 (P2 O7)2 P3 O10","Solid State Sciences","2001","3","","587","592","10.1016/S1293-2558(00)01147-X","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00","" "1509573","7.825","","7.825","","4.328","","90","","90","","120","","229.502","","","","","","","","","","","","","3","P -6 2 m","P -6 -2","189","","Ce Ag Mg","","- Ag1.034 Ce Mg0.966 -","- Ag1.034 Ce Mg0.966 -","- Ag3.102 Ce3 Mg2.898 -","3","0.25","","Poettgen, R.; Fickenscher, T.","Synthesis and Crystal Structures of REAgMg (RE = La, Ce, Nd, Eu, Gd, Tb, Ho, Tm, and Yb)","Journal of Solid State Chemistry","2001","161","","67","72","10.1006/jssc.2001.9268","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00","" "1509574","7.757","","7.757","","4.261","","90","","90","","120","","222.039","","","","","","","","","","","","","3","P -6 2 m","P -6 -2","189","","Nd Ag Mg","","- Ag1.035 Mg0.965 Nd -","- Ag1.035 Mg0.965 Nd -","- Ag3.105 Mg2.895 Nd3 -","3","0.25","","Fickenscher, T.; Poettgen, R.","Synthesis and Crystal Structures of REAgMg (RE = La, Ce, Nd, Eu, Gd, Tb, Ho, Tm, and Yb)","Journal of Solid State Chemistry","2001","161","","67","72","10.1006/jssc.2001.9268","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00","" "1509576","7.5366","","4.4649","","8.872","","90","","90","","90","","298.544","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","Yb Ag Mg","","- Ag1.053 Mg0.947 Yb -","- Ag1.053 Mg0.947 Yb -","- Ag4.212 Mg3.788 Yb4 -","4","0.5","","Fickenscher, T.; Poettgen, R.","Synthesis and Crystal Structures of REAgMg (RE = La, Ce, Nd, Eu, Gd, Tb, Ho, Tm, and Yb)","Journal of Solid State Chemistry","2001","161","","67","72","10.1006/jssc.2001.9268","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00","" "1509581","3.833","","3.833","","30.953","","90","","90","","120","","393.832","","","","","","","","","","","","","4","P 63 m c","P 6c -2c","186","","","","- Ag1.12 Ga2.68 In3.7 S10 -","- Ag1.12 Ga2.68 In3.7 S10 -","- Ag1.12 Ga2.68 In3.7 S10 -","1","0.0833333","","Arzani, R.; Memo, A.; Elitok, E.; Haeuseler, H.","Verbindungen mit Schichtstrukturen in den Systemen (Cu Ga5 S8)/ (Cu In5 S8) und (Ag Ga5 S8)/(Ag In5 S8)","Zeitschrift fuer Anorganische und Allgemeine Chemie","2001","627","","1204","1208","10.1002/1521-3749(200106)627:6<1204::AID-ZAAC1204>3.0.CO;2-V","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00","" "1509626","11.46","","11.46","","4.66","","90","","90","","120","","530.012","","","","","","","","","","","","","3","P 63/m","-P 6c","176","","K2 Ag12 Te7","","- Ag12 K2 Te7 -","- Ag12 K2 Te7 -","- Ag12 K2 Te7 -","1","0.0833333","","Pertlik, F.","Preparation and crystal structure of K2 Ag12 Te7","Monatshefte fuer Chemie und verwandte Teile anderer Wissenschaften (109,1978-)","2001","132","","1509","1513","","","","","","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00","" "1509669","6.978","","8.715","","10.294","","107.56","","105.11","","103.68","","541.38","","","","","","","","","","","","","4","P -1","-P 1","2","","Ag2 Mg2 (Mo O4)3","","- Ag2 Mg2 Mo3 O12 -","- Ag2 Mg2 Mo3 O12 -","- Ag4 Mg4 Mo6 O24 -","2","1","","Solodovnikov, S.F.; Tsyrenova, G.D.; Khobrakova, E.T.; Khaikina, E.G.","Phase formation in the (Ag2 O) - (Mg O) - (Mo O3) system and the crystal structure of the new double molybdate Ag2 Mg2 (Mo O4)3","Zhurnal Neorganicheskoi Khimii","2001","46","","2066","2071","","","","","","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00","" "1509687","15.48","","3.582","","9.537","","90","","128.741","","90","","412.471","","","","","","","","","","","","","3","C 1 2/m 1","-C 2y","12","","Ag2 (V4 O11)","","- Ag2 O11 V4 -","- Ag2 O11 V4 -","- Ag4 O22 V8 -","2","0.25","","Onoda, M.; Kanbe, K.","Crystal structure and electronic properties of the Ag2 V4 O11 insertion electrode","Journal of Physics: Condensed Matter","2001","13","","6675","6685","10.1088/0953-8984/13/31/308","","","","","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00","" "1509691","4.55523","","3.00803","","9.8977","","90","","90","","90","","135.621","","","","","","","","","","","","","3","I m m m","-I 2 2","71","","Ag2 Pd O2","","- Ag2 O2 Pd -","- Ag2 O2 Pd -","- Ag4 O4 Pd2 -","2","0.125","","Jansen, M.; Schreyer, M.","Synthesis, structure and properties of Ag2 Pd O2","Solid State Sciences","2001","3","","25","30","10.1016/S1293-2558(00)01128-6","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00","" "1509698","7.058","","7.263","","8.253","","90","","90","","90","","423.067","","","","","","","","","","","","","4","I 2 2 2","I 2 2","23","","Ba Ag2 (Ge Se4)","","- Ag2 Ba Ge Se4 -","- Ag2 Ba Ge Se4 -","- Ag4 Ba2 Ge2 Se8 -","2","0.25","","Johrendt, D.; Tampier, M.","Neue azentrische Selenogermanate. I. Kristallstrukturen und chemische Bindung von A M2 Ge Se4 (A=Sr, Ba; M=Cu, Ag)","Zeitschrift fuer Anorganische und Allgemeine Chemie","2001","627","","312","320","10.1002/1521-3749(200103)627:3<312::AID-ZAAC312>3.0.CO;2-U","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00","" "1509702","5.502","","7.008","","10.018","","106.63","","93.89","","110.68","","340.067","","","","","","","","","","","","","4","P -1","-P 1","2","","Ag2 (Pb P2 O7)","","- Ag2 O7 P2 Pb -","- Ag2 O7 P2 Pb -","- Ag4 O14 P4 Pb2 -","2","1","","Arbib, E.; Boukhari, A.; Dridi, N.; Holt, E.M.; Reau, J.M.","Structure and electrical properties of crystalline and glassy Ag2 Pb P2 O7","Materials Letters","2001","47","","212","218","10.1016/S0167-577X(00)00237-8","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00","" "1509752","13.352","","8.1052","","6.9162","","90","","99.766","","90","","737.629","","","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Cs Bi Ag2 S3","","- Ag2 Bi Cs S3 -","- Ag2 Bi Cs S3 -","- Ag8 Bi4 Cs4 S12 -","4","1","","Ibers, J.A.; Huang, F.Q.; Mitchell, K.","Syntheses and structures of the quaternary alkali-metal bismuth coinage-metal chalcogenides K3 Bi5 Cu2 S10, Cs Bi2 Cu S4, Rb Bi2.66 Cu Se5 and Cs Bi Ag2 S3","Journal of Alloys Compd.","2001","325","","84","90","10.1016/S0925-8388(01)01400-1","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00","" "1509784","5.8978","","5.8978","","10.714","","90","","90","","90","","372.676","","","","","","","","","","","","","3","I 41/a m d :2","-I 4bd 2","141","","","","- Ag2 Cu2 O3 -","- Ag2 Cu2 O3 -","- Ag8 Cu8 O12 -","4","0.125","","Jansen, M.; Vensky, S.; Adelsberger, K.; Curda, J.","High-pressure synthesis and electrochemical investigation of Ag2 Cu2 O3","Journal of Solid State Chemistry","2001","158","","82","86","10.1006/jssc.2001.9091","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00","" "1509802","12.1466","","12.7328","","6.4999","","90","","114.532","","90","","914.527","","","","","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Ag2 Fe Mn2 (P O4)3","","- Ag2 Fe Mn2 O12 P3 -","- Ag2 Fe Mn2 O12 P3 -","- Ag8 Fe4 Mn8 O48 P12 -","4","0.5","","Chouaibi, N.; Veiga, M.L.; Pico, C.; Santrich, A.; Daidouh, A.","Neutron diffraction, Mossbauer spectrum and magnetic behavior of Ag2 Fe Mn2 (P O4)3 with alluaudite-like structure","Journal of Solid State Chemistry","2001","159","","46","50","10.1006/jssc.2001.9128","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00","" "1509938","10.5547","","10.5547","","10.5547","","90","","90","","90","","1175.81","","","","","","","","","","","","","4","P 21 3","P 2ac 2ab 3","198","","Ag6 Hg0.82 Ge S5.82","","- Ag6 Ge Hg0.82 S5.82 -","- Ag6 Ge Hg0.82 S5.82 -","- Ag24 Ge4 Hg3.28 S23.28 -","4","0.333333","","Parasyuk, O.V.; Gulay, L.D.","Crystal structure of the Ag6 Hg0.82 Ge S5.82 compound","Journal of Alloys Compd.","2001","327","","100","103","10.1016/S0925-8388(01)01424-4","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00","" "1509953","10.921","","10.921","","10.921","","90","","90","","90","","1302.53","","","","","","","","","","","","","4","F -4 3 m","F -4 2 3","216","","Ag6.684 Ge Se5 I0.69","","- Ag6.684 Ge I0.69 Se5 -","- Ag6.684 Ge I0.69 Se5 -","- Ag26.736 Ge4 I2.76 Se20 -","4","0.0416667","","Zerouale, A.; Belin, C.; Aldon, L.; Ribes, M.; Belin, R.","Crystal structure of the non-stoichiometric argyrodite compound Ag(7-x) Ge Se5 I(1-x) (x = 0.31). A highly disordered silver superionic conducting material","Solid State Sciences","2001","3","","251","265","10.1016/S1293-2558(00)01108-0","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00","" "1509985","4.2943","","15.424","","17.501","","90","","90","","90","","1159.18","","","","","","","","","","","","","4","C m c m","-C 2c 2","63","","Cs Gd2 Ag3 Se5","","- Ag3 Cs Gd2 Se5 -","- Ag3 Cs Gd2 Se5 -","- Ag12 Cs4 Gd8 Se20 -","4","0.25","","Huang, F.Q.; Ibers, J.A.","Syntheses, structures and physical properties of the new quaternaryrare-earth chalcogenides Rb Nd2 Cu S4, Rb Sm2 Cu S4, Cs La2 Cu Se4, Cs Sm2 Cu Se4, Rb Er2 Cu3 S5, Cs Gd2 Ag3 Se5, Cs Tb2 Ag3 Se5 and Rb2 Gd4 Cu4 S9","Journal of Solid State Chemistry","2001","158","","299","306","10.1006/jssc.2001.9110","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00","" "1510003","4.2779","","15.429","","17.426","","90","","90","","90","","1150.18","","","","","","","","","","","","","4","C m c m","-C 2c 2","63","","Cs Tb2 Ag3 Se5","","- Ag3 Cs Se5 Tb2 -","- Ag3 Cs Se5 Tb2 -","- Ag12 Cs4 Se20 Tb8 -","4","0.25","","Ibers, J.A.; Huang, F.Q.","Syntheses, structures and physical properties of the new quaternaryrare-earth chalcogenides Rb Nd2 Cu S4, Rb Sm2 Cu S4, Cs La2 Cu Se4, Cs Sm2 Cu Se4, Rb Er2 Cu3 S5, Cs Gd2 Ag3 Se5, Cs Tb2 Ag3 Se5 and Rb2 Gd4 Cu4 S9","Journal of Solid State Chemistry","2001","158","","299","306","10.1006/jssc.2001.9110","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00","" "1510007","4.86728","","4.86728","","4.86728","","90","","90","","90","","115.308","","","","","","","","","","","","","3","R 3 :R","P 3*","146","","Ag3 S I","","- Ag3 I S -","- Ag3 I S -","- Ag3 I S -","1","0.333333","","Hayes, W.; Keen, D.A.; Hull, S.; Gardner, N.J.G.","The crystal structures of superionic Ag3 S I","Journal of Physics: Condensed Matter","2001","13","","2295","2316","10.1088/0953-8984/13/10/321","","","","","","","","","","","","","","","","","","","","","has coordinates","176432","2020-10-21","18:00:00","" "1510075","7.8291","","7.8291","","4.1001","","90","","90","","120","","217.645","","","","","","","","","","","","","3","P -6 2 m","P -6 -2","189","","Ce Au Cd","","- Au Cd Ce -","- Au Cd Ce -","- Au3 Cd3 Ce3 -","3","0.25","","Mosel, B.D.; Hoffmann, R.D.; Piotrowski, H.; Kaczorowski, D.; Poettgen, R.; Mishra, R.; Mayer, P.; Rosenhahn, C.","Ternary Rare Earth (RE) Gold Compounds REAuCd and RE2Au2Cd","Zeitschrift fuer Anorganische und Allgemeine Chemie","2001","627","","1283","1291","10.1002/1521-3749(200106)627:6<1283::AID-ZAAC1283>3.0.CO;2-L","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00","" "1510076","7.552","","4.5059","","8.786","","90","","90","","90","","298.975","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","Eu Au Cd","","- Au Cd Eu -","- Au Cd Eu -","- Au4 Cd4 Eu4 -","4","0.5","","Mosel, B.D.; Poettgen, R.; Rosenhahn, C.; Kaczorowski, D.; Mayer, P.; Hoffmann, R.D.; Piotrowski, H.; Mishra, R.","Ternary Rare Earth (RE) Gold Compounds REAuCd and RE2Au2Cd","Zeitschrift fuer Anorganische und Allgemeine Chemie","2001","627","","1283","1291","10.1002/1521-3749(200106)627:6<1283::AID-ZAAC1283>3.0.CO;2-L","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00","" "1510078","7.862","","7.862","","4.159","","90","","90","","120","","222.631","","","","","","","","","","","","","3","P -6 2 m","P -6 -2","189","","La Au Cd","","- Au Cd La -","- Au Cd La -","- Au3 Cd3 La3 -","3","0.25","","Mishra, R.; Kaczorowski, D.; Rosenhahn, C.; Piotrowski, H.; Mosel, B.D.; Poettgen, R.; Mayer, P.; Hoffmann, R.D.","Ternary rare earth (RE) gold compounds RE Au Cd and RE2 Au2 Cd","Zeitschrift fuer Anorganische und Allgemeine Chemie","2001","627","","1283","1291","10.1002/1521-3749(200106)627:6<1283::AID-ZAAC1283>3.0.CO;2-L","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00","" "1510081","7.3164","","4.3294","","8.758","","90","","90","","90","","277.415","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","Yb Au Cd","","- Au Cd Yb -","- Au Cd Yb -","- Au4 Cd4 Yb4 -","4","0.5","","Poettgen, R.; Hoffmann, R.D.; Piotrowski, H.; Mishra, R.; Kaczorowski, D.; Rosenhahn, C.; Mayer, P.; Mosel, B.D.","Ternary Rare Earth (RE) Gold Compounds REAuCd and RE2Au2Cd","Zeitschrift fuer Anorganische und Allgemeine Chemie","2001","627","","1283","1291","10.1002/1521-3749(200106)627:6<1283::AID-ZAAC1283>3.0.CO;2-L","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00","" "1510086","7.7414","","4.2111","","16.123","","90","","90","","90","","525.607","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","Ce2 (Au P3)","","- Au Ce2 P3 -","- Au Ce2 P3 -","- Au4 Ce8 P12 -","4","0.5","","Kotzyba, G.; Eschen, M.; Jeitschko, W.; Kuennen, B.","Semiconducting La2 Au P3, the metallic conductor Ce2 Au P3, and other rare-earth gold phosphides Ln2 Au P3 with two closely related crystal structures","Zeitschrift fuer Anorganische und Allgemeine Chemie","2001","627","","1699","1708","10.1002/1521-3749(200107)627:7<1699::AID-ZAAC1699>3.0.CO;2-V","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00","" "1510110","10.196","","19.843","","10.284","","90","","93.96","","90","","2075.68","","","","","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","Cs3 Au O2","","- Au Cs3 O2 -","- Au Cs3 O2 -","- Au12 Cs36 O24 -","12","3","","Jansen, M.; Mudring, A.V.","Synthese und Kristallstruktur von Cs3 Au O2","Zeitschrift fuer Anorganische und Allgemeine Chemie","2001","627","","77","80","10.1002/1521-3749(200101)627:1<77::AID-ZAAC77>3.0.CO;2-N","","","","","","","","","","","","","","","","","","","","","has coordinates","176432","2020-10-21","18:00:00","" "1510134","3.7012","","5.6134","","7.0652","","90.838","","102.956","","90.909","","143.009","","","","","","","","","","","","","3","P -1","-P 1","2","","(Eu3 O2) (Au O4)","","- Au Eu3 O6 -","- Au Eu3 O6 -","- Au Eu3 O6 -","1","0.5","","Nuss, J.; Figulla-Kroschel, C.; Jansen, M.","Darstellung, Kristallstruktur und Eigenschaften von Ln3 Au O6 (Ln = Sm, Eu, Gd)","Zeitschrift fuer Anorganische und Allgemeine Chemie","2001","627","","439","444","10.1002/1521-3749(200103)627:3<439::AID-ZAAC439>3.0.CO;2-R","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00","" "1510145","9.366","","15.052","","4.84","","90","","90","","90","","682.329","","","","","","","","","","","","","2","P n m a","-P 2ac 2n","62","","","","- Au F5 -","- Au F5 -","- Au8 F40 -","8","1","","Seppelt, K.; Hwang, I.-C.","Gold pentafluoride: structure and fluoride ion affinity","Angew. Chem. Int. ed.","2001","40","","3690","3693","10.1002/1521-3773(20011001)40:19<3690::AID-ANIE3690>3.0.CO;2-5","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00","" "1510147","4.9331","","4.973","","5.0061","","101.321","","90.633","","102.095","","117.574","","","","","","","","","","","","","3","P -1","-P 1","2","","O2 (Au F6)","","- Au F6 O2 -","- Au F6 O2 -","- Au F6 O2 -","1","0.5","","Seppelt, K.; Hwang, I.-C.","Gold pentafluoride: structure and fluoride ion affinity","Angew. Chem. Int. ed.","2001","40","","3690","3693","10.1002/1521-3773(20011001)40:19<3690::AID-ANIE3690>3.0.CO;2-5","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00","" "1510162","3.672","","5.5977","","7.0636","","90.509","","102.889","","91.068","","141.495","","","","","","","","","","","","","3","P -1","-P 1","2","","(Gd3 O2) (Au O4)","","- Au Gd3 O6 -","- Au Gd3 O6 -","- Au Gd3 O6 -","1","0.5","","Jansen, M.; Nuss, J.; Figulla-Kroschel, C.","Darstellung, Kristallstruktur und Eigenschaften von Ln3 Au O6 (Ln = Sm, Eu, Gd)","Zeitschrift fuer Anorganische und Allgemeine Chemie","2001","627","","439","444","10.1002/1521-3749(200103)627:3<439::AID-ZAAC439>3.0.CO;2-R","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00","" "1510163","4.401","","4.401","","7.2326","","90","","90","","120","","121.319","","","","","","","","","","","","","3","P 63 m c","P 6c -2c","186","","Ho Au Ge","","- Au Ge Ho -","- Au Ge Ho -","- Au2 Ge2 Ho2 -","2","0.166667","","Poettgen, R.; Ouladdiaf, B.; Schnelle, W.; Kremer, R.K.; Gibson, B.J.","Crystal and magnetic structure of antiferromagnetic Ho Au Ge","Journal of Physics: Condensed Matter","2001","13","","2593","2606","10.1088/0953-8984/13/11/315","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00","" "1510170","4.3526","","4.3526","","15.474","","90","","90","","120","","253.881","","","","","","","","","","","","","3","P 63/m m c","-P 6c 2c","194","","U Au Ge","","- Au Ge U -","- Au Ge U -","- Au4 Ge4 U4 -","4","0.166667","","Gibson, B.J.; Jepsen, O.; Poettgen, R.; Kremer, R.K.; Hoffmann, R.D.; Garrett, J.D.","Structure and chemical bonding of U Au Ge","Journal of Physics: Condensed Matter","2001","13","","3123","3137","10.1088/0953-8984/13/13/321","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00","" "1510249","9.9276","","5.5903","","4.0864","","90","","90","","90","","226.788","","","","","","","","","","","","","4","P n n m","-P 2 2n","58","","Na2 Rb (Au O2)","","- Au Na2 O2 Rb -","- Au Na2 O2 Rb -","- Au2 Na4 O4 Rb2 -","2","0.25","","Mudring, A.V.; Jansen, M.","Synthese, Kristallstruktur und Eigenschaften von Na2 Rb Au O2","Zeitschrift fuer Anorganische und Allgemeine Chemie","2001","627","","135","138","10.1002/1521-3749(200102)627:2<135::AID-ZAAC135>3.0.CO;2-K","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00","" "1510257","4.1614","","7.6886","","16.4708","","90","","104.055","","90","","511.212","","","","","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","Nd2 (Au P3)","","- Au Nd2 P3 -","- Au Nd2 P3 -","- Au4 Nd8 P12 -","4","1","","Kuennen, B.; Jeitschko, W.; Kotzyba, G.; Eschen, M.","Semiconducting La2 Au P3, the metallic conductor Ce2 Au P3, and other rare-earth gold phosphides Ln2 Au P3 with two closely related crystal structures","Zeitschrift fuer Anorganische und Allgemeine Chemie","2001","627","","1699","1708","10.1002/1521-3749(200107)627:7<1699::AID-ZAAC1699>3.0.CO;2-V","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00","" "1510264","8.549","","8.249","","10.011","","90","","90","","90","","705.983","","","","","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","Au (S O4)","","- Au O4 S -","- Au O4 S -","- Au8 O32 S8 -","8","1","","Wickleder, M.S.","Au S O4 : a true gold(II) sulfate with Au2(4+) ion","Zeitschrift fuer Anorganische und Allgemeine Chemie","2001","627","","2112","2114","10.1002/1521-3749(200109)627:9<2112::AID-ZAAC2112>3.0.CO;2-2","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00","" "1510265","3.7272","","5.6311","","7.0734","","90.932","","102.983","","90.822","","144.619","","","","","","","","","","","","","3","P -1","-P 1","2","","(Sm3 O2) (Au O4)","","- Au O6 Sm3 -","- Au O6 Sm3 -","- Au O6 Sm3 -","1","0.5","","Jansen, M.; Figulla-Kroschel, C.; Nuss, J.","Darstellung, Kristallstruktur und Eigenschaften von Ln3 Au O6 (Ln = Sm, Eu, Gd)","Zeitschrift fuer Anorganische und Allgemeine Chemie","2001","627","","439","444","10.1002/1521-3749(200103)627:3<439::AID-ZAAC439>3.0.CO;2-R","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00","" "1510269","7.7092","","4.1875","","16.056","","90","","90","","90","","518.324","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","Pr2 (Au P3)","","- Au P3 Pr2 -","- Au P3 Pr2 -","- Au4 P12 Pr8 -","4","0.5","","Jeitschko, W.; Kuennen, B.; Kotzyba, G.; Eschen, M.","Semiconducting La2 Au P3, the metallic conductor Ce2 Au P3, and other rare-earth gold phosphides Ln2 Au P3 with two closely related crystal structures","Zeitschrift fuer Anorganische und Allgemeine Chemie","2001","627","","1699","1708","10.1002/1521-3749(200107)627:7<1699::AID-ZAAC1699>3.0.CO;2-V","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00","" "1510583","9.266","","9.266","","7.331","","90","","90","","120","","545.103","","","","","","","","","","","","","3","P 63/m m c","-P 6c 2c","194","","Ca3 Au6.61 Ga4.39","","- Au6.61 Ca3 Ga4.39 -","- Au6.61 Ca3 Ga4.39 -","- Au13.22 Ca6 Ga8.78 -","2","0.0833333","","Poettgen, R.; Cordier, R.; Roehr, C.; Hoffmann, R.D.; Kussmann, D.","Three-dimensional gold-gallium polyanions in the structures of Ca Aux Ga4-x (x ca. 0.88) and Ca3 Au6.61 Ga4.39","Zeitschrift fuer Anorganische und Allgemeine Chemie","2001","627","","2053","2056","10.1002/1521-3749(200109)627:9<2053::AID-ZAAC2053>3.0.CO;2-V","","","","","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00","" "1510611","5.356","","5.766","","8.649","","90","","101.39","","90","","261.844","","","","","","","","","","","","","3","P 1 21 1","P 2yb","4","","(Br F3) (Au F3)","","- Au Br F6 -","- Au Br F6 -","- Au2 Br2 F12 -","2","1","","Platte, C.; Benkic, P.; Richardson, T.J.; Bartlett, N.; Dove, M.F.A.","Concerning the crystal structure of Br F3 * Au F3","Journal of Fluorine Chemistry","2001","110","","83","86","10.1016/S0022-1139(01)00414-6","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00","" "1510642","9.337","","9.337","","3.058","","90","","90","","90","","266.595","","","","","","","","","","","","","4","P 4/m b m","-P 4 2ab","127","","Sc2 Cr Rh5 B2","","- B2 Cr Rh5 Sc2 -","- B2 Cr Rh5 Sc2 -","- B4 Cr2 Rh10 Sc4 -","2","0.125","","Feiten, R.; Lueken, H.; Nagelschmitz, E.A.; Jung, W.; Mueller, P.","Ternary rhodium borides A3 Rh5 B2 (A = Mg, Sc) and quaternary derivates A2 M Rh5 B2. Preparation, crystal structure (M = main group and 3 d elements), and magnetism (M = Mn, Fe)","Zeitschrift fuer Anorganische und Allgemeine Chemie","2001","627","","523","532","10.1002/1521-3749(200103)627:3<523::AID-ZAAC523>3.0.CO;2-E","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00","" "1510652","9.238","","9.238","","2.88","","90","","90","","90","","245.781","","","","","","","","","","","","","4","P 4/m b m","-P 4 2ab","127","","(Mg1.9 Cu1.1) Rh5 B2","","- B2 Cu1.1 Mg1.9 Rh5 -","- B2 Cu1.1 Mg1.9 Rh5 -","- B4 Cu2.2 Mg3.8 Rh10 -","2","0.125","","Feiten, R.; Nagelschmitz, E.A.; Mueller, P.; Lueken, H.; Jung, W.","Ternary rhodium borides A3 Rh5 B2 (A = Mg, Sc) and quaternary derivates A2 M Rh5 B2. Preparation, crystal structure (M = main group and 3 d elements), and magnetism (M = Mn, Fe)","Zeitschrift fuer Anorganische und Allgemeine Chemie","2001","627","","523","532","10.1002/1521-3749(200103)627:3<523::AID-ZAAC523>3.0.CO;2-E","","","","","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00","" "1510653","9.0005","","9.0005","","6.6546","","90","","90","","90","","539.082","","","","","","","","","","","","","4","I 4/m c m","-I 4 2c","140","","Sr Cu2 (B O3)2","","- B2 Cu2 O6 Sr -","- B2 Cu2 O6 Sr -","- B8 Cu8 O24 Sr4 -","4","0.125","","Lemmens, P.; Kageyama, H.; Heger, G.; Roth, G.; Grove, M.; Onizuka, K.; Redhammer, G.J.; Guentherodt, G.; Roussel, P.; Ionescu, A.; Sparta, K.; Lueken, H.; Ueda, Y.; Huening, F.","Structural phase transition in the 2D spin dimer compound Sr Cu2 (B O3)2","The European Physical Journal B","2001","19","","507","516","10.1007/s100510170296","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00","" "1510684","9.268","","9.268","","3.057","","90","","90","","90","","262.584","","","","","","","","","","","","","4","P 4/m b m","-P 4 2ab","127","","Sc2 Fe Rh5 B2","","- B2 Fe Rh5 Sc2 -","- B2 Fe Rh5 Sc2 -","- B4 Fe2 Rh10 Sc4 -","2","0.125","","Nagelschmitz, E.A.; Feiten, R.; Jung, W.; Mueller, P.; Lueken, H.","Ternary rhodium borides A3 Rh5 B2 (A = Mg, Sc) and quaternary derivates A2 M Rh5 B2. Preparation, crystal structure (M = main group and 3 d elements), and magnetism (M = Mn, Fe)","Zeitschrift fuer Anorganische und Allgemeine Chemie","2001","627","","523","532","10.1002/1521-3749(200103)627:3<523::AID-ZAAC523>3.0.CO;2-E","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00","" "1510687","9.299","","9.299","","2.897","","90","","90","","90","","250.508","","","","","","","","","","","","","4","P 4/m b m","-P 4 2ab","127","","(Mg1.7 Fe0.3) Fe Rh5 B2","","- B2 Fe1.3 Mg1.7 Rh5 -","- B2 Fe1.3 Mg1.7 Rh5 -","- B4 Fe2.6 Mg3.4 Rh10 -","2","0.125","","Mueller, P.; Feiten, R.; Lueken, H.; Nagelschmitz, E.A.; Jung, W.","Ternary rhodium borides A3 Rh5 B2 (A = Mg, Sc) and quaternary derivates A2 M Rh5 B2. Preparation, crystal structure (M = main group and 3 d elements), and magnetism (M = Mn, Fe)","Zeitschrift fuer Anorganische und Allgemeine Chemie","2001","627","","523","532","10.1002/1521-3749(200103)627:3<523::AID-ZAAC523>3.0.CO;2-E","","","","","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00","" "1510699","9.253","","9.253","","3.05","","90","","90","","90","","261.135","","","","","","","","","","","","","4","P 4/m b m","-P 4 2ab","127","","Sc2 Ga Rh5 B2","","- B2 Ga Rh5 Sc2 -","- B2 Ga Rh5 Sc2 -","- B4 Ga2 Rh10 Sc4 -","2","0.125","","Mueller, P.; Nagelschmitz, E.A.; Feiten, R.; Lueken, H.; Jung, W.","Ternary rhodium borides A3 Rh5 B2 (A = Mg, Sc) and quaternary derivates A2 M Rh5 B2. Preparation, crystal structure (M = main group and 3 d elements), and magnetism (M = Mn, Fe)","Zeitschrift fuer Anorganische und Allgemeine Chemie","2001","627","","523","532","10.1002/1521-3749(200103)627:3<523::AID-ZAAC523>3.0.CO;2-E","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00","" "1510705","8.724","","6.425","","10.095","","90","","116.85","","90","","504.84","","","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Li3 Gd (B O3)2","","- B2 Gd Li3 O6 -","- B2 Gd Li3 O6 -","- B8 Gd4 Li12 O24 -","4","1","","Gravereau, P.; Chaminade, J.P.; Jubera, V.","Crystal structure of the new borate Li3 Gd (B O3)2. Comparison withthe homologous Na3 Ln (B O3)2 (Ln: La, Nd) compounds","Solid State Sciences","2001","3","","469","475","10.1016/S1293-2558(01)01156-6","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00","" "1510707","9.317","","9.317","","2.906","","90","","90","","90","","252.26","","","","","","","","","","","","","4","P 4/m b m","-P 4 2ab","127","","Mg2 Ge Rh5 B2","","- B2 Ge Mg2 Rh5 -","- B2 Ge Mg2 Rh5 -","- B4 Ge2 Mg4 Rh10 -","2","0.125","","Nagelschmitz, E.A.; Mueller, P.; Lueken, H.; Jung, W.; Feiten, R.","Ternary rhodium borides A3 Rh5 B2 (A = Mg, Sc) and quaternary derivates A2 M Rh5 B2. Preparation, crystal structure (M = main group and 3 d elements), and magnetism (M = Mn, Fe)","Zeitschrift fuer Anorganische und Allgemeine Chemie","2001","627","","523","532","10.1002/1521-3749(200103)627:3<523::AID-ZAAC523>3.0.CO;2-E","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00","" "1510719","5.168","","8.899","","10.099","","90","","91.112","","90","","464.366","","","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Li3 In (B2 O6)","","- B2 In Li3 O6 -","- B2 In Li3 O6 -","- B8 In4 Li12 O24 -","4","1","","Nowogrocki, G.; Penin, N.; Touboul, M.","Crystal structure of a new lithium indium borate Li3 In B2 O6","Solid State Sciences","2001","3","","461","468","10.1016/S1293-2558(00)01144-4","","","","","","","","","","","","","","","","","","","","","has coordinates","176432","2020-10-21","18:00:00","" "1510746","10.616","","5.3181","","12.382","","90","","109.96","","90","","657.059","","","","","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","Li2 (B2 Se3 (Se2))","","- B2 Li2 Se5 -","- B2 Li2 Se5 -","- B8 Li8 Se20 -","4","0.5","","Koester, C.; Doech, M.; Kuchinke, J.; Krebs, B.; Lindemann, A.; Pruss, T.; Hammerschmidt, A.","The first perselenoborate with a novel three-dimensional anion network","Phosphorus, Sulfur, Silicon and Related Elements","2001","169","","169","172","10.1080/10426500108546617","","","","","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00","" "1510754","9.239","","9.239","","2.896","","90","","90","","90","","247.2","","","","","","","","","","","","","4","P 4/m b m","-P 4 2ab","127","","Mg2 P0.92 Rh5 B2","","- B2 Mg2 P0.92 Rh5 -","- B2 Mg2 P0.92 Rh5 -","- B4 Mg4 P1.84 Rh10 -","2","0.125","","Lueken, H.; Mueller, P.; Nagelschmitz, E.A.; Feiten, R.; Jung, W.","Ternary rhodium borides A3 Rh5 B2 (A = Mg, Sc) and quaternary derivates A2 M Rh5 B2. Preparation, crystal structure (M = main group and 3 d elements), and magnetism (M = Mn, Fe)","Zeitschrift fuer Anorganische und Allgemeine Chemie","2001","627","","523","532","10.1002/1521-3749(200103)627:3<523::AID-ZAAC523>3.0.CO;2-E","","","","","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00","" "1510758","9.371","","9.371","","3.059","","90","","90","","90","","268.628","","","","","","","","","","","","","4","P 4/m b m","-P 4 2ab","127","","Sc2 Mn Rh5 B2","","- B2 Mn Rh5 Sc2 -","- B2 Mn Rh5 Sc2 -","- B4 Mn2 Rh10 Sc4 -","2","0.125","","Nagelschmitz, E.A.; Jung, W.; Feiten, R.; Lueken, H.; Mueller, P.","Ternary rhodium borides A3 Rh5 B2 (A = Mg, Sc) and quaternary derivates A2 M Rh5 B2. Preparation, crystal structure (M = main group and 3 d elements), and magnetism (M = Mn, Fe)","Zeitschrift fuer Anorganische und Allgemeine Chemie","2001","627","","523","532","10.1002/1521-3749(200103)627:3<523::AID-ZAAC523>3.0.CO;2-E","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00","" "1510796","4.3358","","4.3358","","8.3397","","90","","90","","120","","135.775","","","","","","","","","","","","","2","P 31 2 1","P 31 2""","152","","","","- B2 O3 -","- B2 O3 -","- B6 O9 -","3","0.5","","Lengauer, C.L.; Parthe, E.; Effenberger, H.","Trigonal B2 O3 with higher space-group symmetry: results of a reevaluation","Monatshefte fuer Chemie und verwandte Teile anderer Wissenschaften (109,1978-)","2001","132","","1515","1517","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00","" "1510813","12.414","","7.314","","14.092","","90","","107.3","","90","","1221.61","","","","","","","","","","","","","3","I 1 2/a 1","-I 2ya","15","","Rb2 (B2 (Se2)3 Se)","","- B2 Rb2 Se7 -","- B2 Rb2 Se7 -","- B8 Rb8 Se28 -","4","0.5","","Krebs, B.; Hammerschmidt, A.; Jansen, C.; Pruss, T.; Kuchinke, J.; Kueper, J.; Koester, C.; Lindemann, A.; Doech, M.","Syntheses and crystal structures of Rb2 B2 Se7, Tl2 B2 Se7, Cs3 B3 Se10, and Tl3 B3 Se10: new perseleno-selenoborates with polymeric anionic chains","Zeitschrift fuer Anorganische und Allgemeine Chemie","2001","627","","419","425","10.1002/1521-3749(200103)627:3<419::AID-ZAAC419>3.0.CO;2-Z","","","","","","","","","","","","","","","","","","","","","has coordinates","176432","2020-10-21","18:00:00","" "1510816","9.419","","9.419","","3.085","","90","","90","","90","","273.694","","","","","","","","","","","","","3","P 4/m b m","-P 4 2ab","127","","Sc3 Rh5 B2","","- B2 Rh5 Sc3 -","- B2 Rh5 Sc3 -","- B4 Rh10 Sc6 -","2","0.125","","Lueken, H.; Feiten, R.; Nagelschmitz, E.A.; Mueller, P.; Jung, W.","Ternary rhodium borides A3 Rh5 B2 (A = Mg, Sc) and quaternary derivates A2 M Rh5 B2. Preparation, crystal structure (M = main group and 3 d elements), and magnetism (M = Mn, Fe)","Zeitschrift fuer Anorganische und Allgemeine Chemie","2001","627","","523","532","10.1002/1521-3749(200103)627:3<523::AID-ZAAC523>3.0.CO;2-E","","","","","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00","" "1510832","11.878","","7.0909","","13.998","","90","","108.37","","90","","1118.91","","","","","","","","","","","","","3","I 1 2/a 1","-I 2ya","15","","Tl2 (B2 (Se2)3 Se)","","- B2 Se7 Tl2 -","- B2 Se7 Tl2 -","- B8 Se28 Tl8 -","4","0.5","","Krebs, B.; Doech, M.; Kueper, J.; Hammerschmidt, A.; Koester, C.; Lindemann, A.; Jansen, C.; Kuchinke, J.; Pruss, T.","Syntheses and crystal structures of Rb2 B2 Se7, Tl2 B2 Se7, Cs3 B3 Se10, and Tl3 B3 Se10: New perseleno-selenoborates with polymeric anionic chains","Zeitschrift fuer Anorganische und Allgemeine Chemie","2001","627","","419","425","10.1002/1521-3749(200103)627:3<419::AID-ZAAC419>3.0.CO;2-Z","","","","","","","","","","","","","","","","","","","","","has coordinates","176432","2020-10-21","18:00:00","" "1510858","6.068","","6.068","","11.1353","","90","","90","","90","","410.009","","","","","","","","","","","","","3","I 4/m c m","-I 4 2c","140","","Mo5 (Si0.89 B0.11) B2","","- B2.11 Mo5 Si0.89 -","- B2.11 Mo5 Si0.89 -","- B8.44 Mo20 Si3.56 -","4","0.125","","Hubbard, C.R.; Rawn, C.J.; Hoffmann, C.M.; Schneibel, J.H.","The crystal structure and thermal expansion of Mo5 Si B2","Intermetallics","2001","9","","209","216","10.1016/S0966-9795(00)00113-8","","","","","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00","" "1510868","5.855","","10.3354","","8.2808","","90","","89.512","","90","","501.084","","","","","","","","","","","","","2","I 1 2/m 1","-I 2y","12","","Tb1.069 B28","","- B28 Tb1.069 -","- B28 Tb1.0692 -","- B56 Tb2.1384 -","2","0.25","","Zhang, F.; Tanaka, T.; Mori, T.","Synthesis and magnetic properties of binary boride RE B25 compounds","Journal of Physics: Condensed Matter","2001","13","","423","430","","","","","","","","","","","","","","","","","","","","","","has coordinates","176432","2020-10-21","18:00:00","" "1510880","14.311","","8.808","","13.655","","90","","98.67","","90","","1701.56","","","","","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","K Ba4 (B S3)3","","- B3 Ba4 K S9 -","- B3 Ba4.02 K0.986 S9 -","- B12 Ba16.08 K3.944 S36 -","4","0.5","","Koester, C.; Krebs, B.; Kueper, J.; Hammerschmidt, A.; Jansen, C.","Syntheses, crystal structures, and properties of the novel thioborates K Ba4 (B S3)3 and K4 Ba11 (B S3)8 S","Zeitschrift fuer Anorganische und Allgemeine Chemie","2001","627","","669","674","10.1002/1521-3749(200104)627:4<669::AID-ZAAC669>3.0.CO;2-5","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00","" "1510885","8.063","","15.995","","3.5231","","90","","101.15","","90","","445.79","","","","","","","","","","","","","7","C 1 m 1","C -2y","8","","(Y0.60 Yb0.136 Er0.015 Ce0.03 Ca0.219) (Ca0.89 Y0.075 Yb0.032 Er0.003)2 Ca2 O (B O3)3","","- B3 Ca3.999 Ce0.03 Er0.021 O10 Y0.75 Yb0.2 -","- B3 Ca3.999 Ce0.03 Er0.021 O10 Y0.75 Yb0.2 -","- B6 Ca7.998 Ce0.06 Er0.042 O20 Y1.5 Yb0.4 -","2","0.5","","Chizhikov, V.I.; Yu, Y.M.; Kuz'micheva, G.M.; Ageev, A.Yu.; Panyutin, V.L.; Rybakov, V.B.","Growth and X-ray diffraction study of Y Ca4 O (B O3)3: Ce,Er,Yb crystals","Neorganicheskie Materialy","2001","37","","1235","1245","","","","","","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00","" "1510886","8.065","","15.998","","3.5243","","90","","101.17","","90","","446.105","","","","","","","","","","","","","6","C 1 m 1","C -2y","8","","(Y0.584 Yb0.17 Er0.015 Ca0.231) (Ca0.884 Y0.073 Yb0.04 Er0.003)2 Ca2 O (B O3)3","","- B3 Ca3.999 Er0.021 O10 Y0.73 Yb0.25 -","- B3 Ca3.999 Er0.021 O10 Y0.73 Yb0.25 -","- B6 Ca7.998 Er0.042 O20 Y1.46 Yb0.5 -","2","0.5","","Chizhikov, V.I.; Panyutin, V.L.; Kuz'micheva, G.M.; Ageev, A.Yu.; Rybakov, V.B.; Yu, Y.M.","Growth and X-ray diffraction study of Y Ca4 O (B O3)3: Ce,Er,Yb crystals","Neorganicheskie Materialy","2001","37","","1235","1245","","","","","","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00","" "1510890","8.062","","15.996","","3.524","","90","","101.16","","90","","445.861","","","","","","","","","","","","","5","C 1 m 1","C -2y","8","","(Y0.680 Yb0.102 Ca0.218) (Ca0.891 Y0.085 Yb0.024)2 Ca2 O (B O3)3","","- B3 Ca4 O10 Y0.85 Yb0.15 -","- B3 Ca4 O10 Y0.85 Yb0.15 -","- B6 Ca8 O20 Y1.7 Yb0.3 -","2","0.5","","Chizhikov, V.I.; Kuz'micheva, G.M.; Yu, Y.M.; Panyutin, V.L.; Rybakov, V.B.; Ageev, A.Yu.","Growth and X-ray diffraction study of Y Ca4 O (B O3)3: Ce,Er,Yb crystals","Neorganicheskie Materialy","2001","37","","1235","1245","","","","","","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00","" "1510891","8.069","","16.005","","3.5275","","90","","101.17","","90","","446.927","","","","","","","","","","","","","4","C 1 m 1","C -2y","8","","(Y0.792 Ca0.208) (Ca0.938 Y0.062)2 Ca2 O0.96 (B O3)3","","- B3 Ca4.084 O9.96 Y0.916 -","- B3 Ca4.084 O9.96 Y0.916 -","- B6 Ca8.168 O19.92 Y1.832 -","2","0.5","","Yu, Y.M.; Ageev, A.Yu.; Kuz'micheva, G.M.; Panyutin, V.L.; Chizhikov, V.I.; Rybakov, V.B.","Growth and X-ray diffraction study of Y Ca4 O (B O3)3: Ce,Er,Yb crystals","Neorganicheskie Materialy","2001","37","","1235","1245","","","","","","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00","" "1510904","7.5831","","8.4643","","15.276","","107.03","","89.29","","101.19","","918.65","","","","","","","","","","","","","3","P -1","-P 1","2","","Cs3 (B3 (Se2)4 Se2)","","- B3 Cs3 Se10 -","- B3 Cs3 Se10 -","- B6 Cs6 Se20 -","2","1","","Koester, C.; Hammerschmidt, A.; Jansen, C.; Krebs, B.; Kueper, J.; Lindemann, A.; Doech, M.; Kuchinke, J.; Pruss, T.","Syntheses and crystal structures of Rb2 B2 Se7, Tl2 B2 Se7, Cs3 B3 Se10, and Tl3 B3 Se10: new perseleno-selenoborates with polymeric anionic chains","Zeitschrift fuer Anorganische und Allgemeine Chemie","2001","627","","419","425","10.1002/1521-3749(200103)627:3<419::AID-ZAAC419>3.0.CO;2-Z","","","","","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00","" "1510928","10.095","","3.519","","15.647","","90","","105.45","","90","","535.762","","","","","","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","Li2 Yb5 O4 (B O3)3","","- B3 Li2 O13 Yb5 -","- B3 Li2 O13 Yb5 -","- B6 Li4 O26 Yb10 -","2","0.5","","Chaminade, J.P.; Fouassier, C.; Jubera, V.; Gravereau, P.","A new oxyborate in the ternary phase diagrams Li2 O-Ln2 O3-B2 O3: Li2 Ln5 O4 (B O3)3 (Ln = Yb, Lu): Crystal structure of the ytterbium phase","Journal of Solid State Chemistry","2001","156","","161","167","10.1006/jssc.2000.8977","","","","","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00","" "1510955","7.0989","","8.0724","","14.545","","105.24","","95.82","","92.79","","797.579","","","","","","","","","","","","","3","P -1","-P 1","2","","Tl3 (B3 (Se2)4 Se2)","","- B3 Se10 Tl3 -","- B3 Se10 Tl3 -","- B6 Se20 Tl6 -","2","1","","Lindemann, A.; Kuchinke, J.; Hammerschmidt, A.; Jansen, C.; Pruss, T.; Kueper, J.; Koester, C.; Doech, M.; Krebs, B.","Syntheses and crystal structures of Rb2 B2 Se7, Tl2 B2 Se7, Cs3 B3 Se10, and Tl3 B3 Se10: new perseleno-selenoborates with polymeric anionic chains","Zeitschrift fuer Anorganische und Allgemeine Chemie","2001","627","","419","425","10.1002/1521-3749(200103)627:3<419::AID-ZAAC419>3.0.CO;2-Z","","","","","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00","" "1510980","12.382","","3.5732","","9.0521","","90","","129.7","","90","","308.141","","","","","","","","","","","","","3","C 1 2/m 1","-C 2y","12","","Ce4 (B2 N4) N","","- B2 Ce4 N5 -","- B2 Ce4 N5 -","- B4 Ce8 N10 -","2","0.25","","Meyer, H.J.; Blaschkowski, B.; Jing, H.; Reckeweg, O.","Synthese und Struktur der Nitridoborat-Nitride Ln4 (B2 N4)N (Ln = La, Ce) des Formeltyps Ln(3+x) (B2 N4) N(x) (X = 0, 1, 2)","Zeitschrift fuer Anorganische und Allgemeine Chemie","2001","627","","774","778","10.1002/1521-3749(200104)627:4<774::AID-ZAAC774>3.0.CO;2-H","","","","","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00","" "1511036","9.9007","","7.2036","","23.292","","90","","90","","90","","1661.2","","","","","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","Ce3 (B Si O6) (Si O4)","","- B Ce3 O10 Si2 -","- B Ce3 O10 Si2 -","- B8 Ce24 O80 Si16 -","8","1","","Grossholz, H.; Mueller-Bunz, H.; Schleid, T.","Einkristalle des Cer(III)-Borosilicats Ce3 (B Si O6) (Si O4)","Zeitschrift fuer Anorganische und Allgemeine Chemie","2001","627","","1436","1438","10.1002/1521-3749(200107)627:7<1436::AID-ZAAC1436>3.0.CO;2-#","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00","" "1511053","5.071","","5.071","","6.973","","90","","90","","120","","155.288","","","","","","","","","","","","","4","P 6/m m m","-P 6 2","191","","Y Co0.96 Fe3.04 B","","- B Co0.96 Fe3.04 Y -","- B Co0.96 Fe3.04 Y -","- B2 Co1.92 Fe6.08 Y2 -","2","0.0833333","","Chacon, C.; Isnard, O.","Crystal and magnetic structure of Y Co(4-x) Fe(x) B","Journal of Applied Physics","2001","89","","71","75","10.1063/1.1331067","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00","" "1511060","5.07","","5.07","","6.911","","90","","90","","120","","153.846","","","","","","","","","","","","","4","P 6/m m m","-P 6 2","191","","Y Co1.96 Fe2.04 B","","- B Co1.96 Fe2.04 Y -","- B Co1.96 Fe2.04 Y -","- B2 Co3.92 Fe4.08 Y2 -","2","0.0833333","","Isnard, O.; Chacon, C.","Crystal and magnetic structure of Y Co(4-x) Fe(x) B","Journal of Applied Physics","2001","89","","71","75","10.1063/1.1331067","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00","" "1511065","5.066","","5.066","","6.859","","90","","90","","120","","152.448","","","","","","","","","","","","","4","P 6/m m m","-P 6 2","191","","Y Co2.96 Fe1.04 B","","- B Co2.96 Fe1.04 Y -","- B Co2.96 Fe1.04 Y -","- B2 Co5.92 Fe2.08 Y2 -","2","0.0833333","","Chacon, C.; Isnard, O.","Crystal and magnetic structure of Y Co(4-x) Fe(x) B","Journal of Applied Physics","2001","89","","71","75","10.1063/1.1331067","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00","" "1511068","9.2963","","11.948","","2.9737","","90","","90","","90","","330.295","","","","","","","","","","","","","3","P b a m","-P 2 2ab","55","","Co3 (B O3) O2","","- B Co3 O5 -","- B Co3 O5 -","- B4 Co12 O20 -","4","0.5","","Huang, Z.-X.; Zhang, H.; Cheng, W.-D.","Synthesis and crystal structure of borate oxide Co3 B O5","Jiegon Huaxue","2001","20","","97","99","","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00","" "1511069","9.774","","12.688","","4.9057","","90","","119.749","","90","","528.19","","","","","","","","","","","","","4","C 1 m 1","C -2y","8","","Co3 (B P O7)","","- B Co3 O7 P -","- B Co3 O7 P -","- B4 Co12 O28 P4 -","4","1","","Kniep, R.; Kizilyalli, M.; Stucky, G.D.; Yilmaz, A.; Bu Xianhui","Cobalt borate phosphate, Co3 (B P O7), synthesis and characterization","Journal of Solid State Chemistry","2001","156","","281","285","10.1006/jssc.2000.8963","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00","" "1511072","5.02","","5.02","","6.893","","90","","90","","120","","150.434","","","","","","","","","","","","","3","P 6/m m m","-P 6 2","191","","Y Co4 B","","- B Co4 Y -","- B Co4 Y -","- B2 Co8 Y2 -","2","0.0833333","","Chacon, C.; Isnard, O.","Crystal and magnetic structure of Y Co(4-x) Fe(x) B","Journal of Applied Physics","2001","89","","71","75","10.1063/1.1331067","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00","" "1511083","7.57","","12.791","","6.171","","90","","107.09","","90","","571.141","","","","","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","Cs (B Se (Se2))","","- B Cs Se3 -","- B Cs Se3 -","- B4 Cs4 Se12 -","4","1","","Krebs, B.; Kuchinke, J.; Kueper, J.; Lindemann, A.; Hamann, W.; Koester, C.","Syntheses, crystal structures, and properties of the three novel perselenoborates Rb B Se3, Cs B Se3 and Tl B Se3 with polymeric chain anions","Journal of Solid State Chemistry","2001","157","","206","212","10.1006/jssc.2000.9076","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00","" "1511129","5.169","","8.924","","10.138","","90","","91.39","","90","","467.51","","","","","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","Li Fe (B O3)","","- B Fe Li O3 -","- B Fe Li O3 -","- B8 Fe8 Li8 O24 -","8","1","","le Gal la Salle, A.; Guyomard, D.; Verbaere, A.; Piffard, Y.; An, Y.; Portal, R.; Mosbah, A.; Legagneur, V.","Li M B O3 (M = Mn, Fe, Co): synthesis, crystal structure and lithium deinsertion/insertion properties","Solid State Ionics","2001","139","","37","46","10.1016/S0167-2738(00)00813-4","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00","" "1511161","9.1847","","9.2942","","3.0779","","90","","90","","90","","262.743","","","","","","","","","","","","","4","P n a m","-P 2c 2n","62","","Mg Ga (B O3) O","","- B Ga Mg O4 -","- B Ga Mg O4 -","- B4 Ga4 Mg4 O16 -","4","0.5","","Liang, J.K.; Xu, T.; Yang, Z.; Chen, X.L.; Lan, Y.C.","Phase relations in the Mg O - Ga2 O3 - B2 O3 system and crystal structure of Mg Ga B O4","Journal of Alloys Compd.","2001","319","","247","252","10.1016/S0925-8388(01)00871-4","","","","","","","","","","","","","","","","","","","","","has coordinates","176432","2020-10-21","18:00:00","" "1511188","6.9909","","6.9909","","7.3642","","90","","90","","120","","311.69","","","","","","","","","","","","","2","P 63/m","-P 6c","176","","","","- B I3 -","- B I3 -","- B2 I6 -","2","0.166667","","Albert, B.; Schmitt, K.","Die Kristallstruktur von Borontriiodid, B I3","Zeitschrift fuer Anorganische und Allgemeine Chemie","2001","627","","809","810","10.1002/1521-3749(200105)627:5<809::AID-ZAAC809>3.0.CO;2-J","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00","" "1511201","10.061","","6.2095","","12.538","","90","","112.973","","90","","721.172","","","","","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","K3 (B S3)","","- B K3 S3 -","- B K3 S3 -","- B4 K12 S12 -","4","1","","Kuchinke, J.; Krebs, B.; Jansen, C.; Lindemann, A.","Syntheses and crystal structures of the novel thioborates Na3 B S3, K3 B S3, and Rb3 B S3","Zeitschrift fuer Anorganische und Allgemeine Chemie","2001","627","","896","902","10.1002/1521-3749(200105)627:5<896::AID-ZAAC896>3.0.CO;2-W","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00","" "1511217","8.172","","8.172","","3.1473","","90","","90","","120","","182.023","","","","","","","","","","","","","4","P -6","P -6","174","","Li Mn (B O3)","","- B Li Mn O3 -","- B Li Mn O3 -","- B3 Li3 Mn3 O9 -","3","0.5","","Legagneur, V.; Mosbah, A.; An, Y.; Piffard, Y.; Verbaere, A.; le Gal la Salle, A.; Guyomard, D.; Portal, R.","Li M B O3 (M = Mn, Fe, Co): synthesis, crystal structure and lithium deinsertion/insertion properties","Solid State Ionics","2001","139","","37","46","10.1016/S0167-2738(00)00813-4","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00","" "1511222","5.0915","","5.059","","6.156","","65.81","","65.56","","59.77","","120.566","","","","","","","","","","","","","4","P -1","-P 1","2","","Li1.13 Zn0.93 (B O3)","","- B Li1.13 O3 Zn0.93 -","- B Li1.13 O3 Zn0.935 -","- B2 Li2.26 O6 Zn1.87 -","2","1","","Chang, K.-S.","Li Zn B O3 : crystal structure","Journal of the Korean Chemical Society","2001","45","","251","255","","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00","" "1511253","11.853","","6.664","","8.406","","90","","118.18","","90","","585.274","","","","","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","Na3 (B S3)","","- B Na3 S3 -","- B Na3 S3 -","- B4 Na12 S12 -","4","0.5","","Lindemann, A.; Jansen, C.; Krebs, B.; Kuchinke, J.","Syntheses and crystal structures of the novel thioborates Na3 B S3, K3 B S3, and Rb3 B S3","Zeitschrift fuer Anorganische und Allgemeine Chemie","2001","627","","896","902","10.1002/1521-3749(200105)627:5<896::AID-ZAAC896>3.0.CO;2-W","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00","" "1511273","6.951","","6.951","","9.73","","90","","90","","90","","470.119","","","","","","","","","","","","","4","P -4","P -4","81","","Pb6 (P O4) (B (P O4)4)","","- B O20 P5 Pb6 -","- B O20 P5 Pb6 -","- B O20 P5 Pb6 -","1","0.25","","Belokoneva, E.L.; Dimitrova, O.V.; Stefanovich, S.Yu.; Ruchkina, E.A.","Synthesis and crystal structure of new lead borophosphate Pb6 (P O4) (B (P O4)4)","Zhurnal Neorganicheskoi Khimii","2001","46","","226","232","","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00","" "1511289","6.851","","6.851","","6.821","","90","","90","","120","","277.26","","","","","","","","","","","","","4","P 31 2 1","P 31 2""","152","","Pb (B P O5)","","- B O5 P Pb -","- B O5 P Pb -","- B3 O15 P3 Pb3 -","3","0.5","","Taibi, M.; Aschehoug, P.; Ben Ali, A.; Boukhari, A.; Aride, J.; Antic-Fidancev, E.; Viana, B.","Crystal structure of A B P O5 and optical study of Pr(3+) embedded in these compounds","Journal of Physics: Condensed Matter","2001","13","","9663","9671","10.1088/0953-8984/13/42/323","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00","" "1511295","5.4602","","7.5596","","4.8417","","90","","90","","90","","199.851","","","","","","","","","","","","","2","P n m a","-P 2ac 2n","62","","Pd3 B","","- B Pd3 -","- B Pd3 -","- B4 Pd12 -","4","0.5","","Ellner, M.; Mittemeijer, E.J.; Beck, M.","Powder diffraction data for borides Pd3 B and Pd5 B2 and the formation of an amorphous boride Pd2 B","Powder Diffraction","2001","16","","98","101","10.1154/1.1351156","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00","" "1511307","7.2789","","12.385","","6.169","","90","","105.67","","90","","535.461","","","","","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","Rb (B Se (Se2))","","- B Rb Se3 -","- B Rb Se3 -","- B4 Rb4 Se12 -","4","1","","Hamann, W.; Krebs, B.; Koester, C.; Kuchinke, J.; Lindemann, A.; Kueper, J.","Syntheses, crystal structures, and properties of the three novel perselenoborates Rb B Se3, Cs B Se3 and Tl B Se3 with polymeric chain anions","Journal of Solid State Chemistry","2001","157","","206","212","10.1006/jssc.2000.9076","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00","" "1511309","10.215","","6.407","","13.069","","90","","103.64","","90","","831.21","","","","","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","Rb3 (B S3)","","- B Rb3 S3 -","- B Rb3 S3 -","- B4 Rb12 S12 -","4","1","","Lindemann, A.; Kuchinke, J.; Krebs, B.; Jansen, C.","Syntheses and crystal structures of the novel thioborates Na3 B S3, K3 B S3, and Rb3 B S3","Zeitschrift fuer Anorganische und Allgemeine Chemie","2001","627","","896","902","10.1002/1521-3749(200105)627:5<896::AID-ZAAC896>3.0.CO;2-W","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00","" "1511326","6.1662","","12.109","","7.0311","","90","","113.88","","90","","480.046","","","","","","","","","","","","","3","I 1 a 1","I -2ya","9","","Tl (B Se (Se2))","","- B Se3 Tl -","- B Se3 Tl -","- B4 Se12 Tl4 -","4","1","","Hamann, W.; Krebs, B.; Lindemann, A.; Kueper, J.; Koester, C.; Kuchinke, J.","Syntheses, crystal structures, and properties of the three novel perselenoborates Rb B Se3, Cs B Se3 and Tl B Se3 with polymeric chain anions","Journal of Solid State Chemistry","2001","157","","206","212","10.1006/jssc.2000.9076","","","","","","","","","","","","","","","","","","","","","has coordinates","176432","2020-10-21","18:00:00","" "1511367","10.0285","","10.0285","","27.743","","90","","90","","90","","2790.14","","","","","","","","","","","","","4","I 41/a m d :2","-I 4bd 2","141","","Li5.16 Cs0.96 (B10 Se18)","","- B10 Cs0.96 Li5.16 Se18 -","- B10 Cs0.958 Li5 Se18 -","- B40 Cs3.832 Li20 Se72 -","4","0.125","","Pruss, T.; Kuchinke, J.; Doech, M.; Krebs, B.; Lindemann, A.; Koester, C.","Li6-x Csx B10 Q18 (Q= S, Se; X<>1): New chalcogenoborates with polymeric layered anion networks","Phosphorus, Sulfur, Silicon and Related Elements","2001","169","","281","284","10.1080/10426500108546643","","","","","","","","","","","","","","","","","","","","","has coordinates","176343","2020-10-21","18:00:00","" "1511368","9.458","","9.458","","26.507","","90","","90","","90","","2371.15","","","","","","","","","","","","","4","I 41/a m d :2","-I 4bd 2","141","","Cs Li5 (B10 S18)","","- B10 Cs Li5 S18 -","- B10 Cs0.986 Li4.94 S18 -","- B40 Cs3.944 Li19.76 S72 -","4","0.125","","Kuchinke, J.; Krebs, B.; Pruss, T.; Doech, M.; Lindemann, A.; Koester, C.","Li6-x Csx B10 Q18 (Q= S, Se; X<>1): New chalcogenoborates with polymeric layered anion networks","Phosphorus, Sulfur, Silicon and Related Elements","2001","169","","281","284","10.1080/10426500108546643","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00","" "1511384","11.8926","","9.1923","","14.0354","","90","","90","","90","","1534.35","","","","","","","","","","","","","4","C m c m","-C 2c 2","63","","Ba (B12 H12) (H2 O)6","","- B12 Ba H12 O6 -","- B12 Ba H12 O6 -","- B48 Ba4 H48 O24 -","4","0.25","","Tiritiris, I.; Schleid, T.","Dodekahydro-closo-dodekaborate der schweren Erdalkalimetalle aus waessriger Loesung: Ca (H2 O)7 (B12 H12) * (H2 O), Sr (H2 O)8 (B12 H12) und Ba (H2 O)6 (B12 H12)","Zeitschrift fuer Anorganische und Allgemeine Chemie","2001","627","","1836","1845","10.1002/1521-3749(200108)627:8<1836::AID-ZAAC1836>3.0.CO;2-A","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00","" "1511385","11.6119","","12.2963","","12.3224","","90","","90","","90","","1759.43","","","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(Ca (H2 O)7) (B12 H12) (H2 O)","","- B12 Ca H12 O8 -","- B12 Ca H12 O8 -","- B48 Ca4 H48 O32 -","4","1","","Schleid, T.; Tiritiris, I.","Dodekahydro-closo-dodekaborate der schweren Erdalkalimetalle aus waessriger Loesung: Ca (H2 O)7 (B12 H12) * (H2 O), Sr (H2 O)8 (B12 H12) und Ba (H2 O)6 (B12 H12)","Zeitschrift fuer Anorganische und Allgemeine Chemie","2001","627","","1836","1845","10.1002/1521-3749(200108)627:8<1836::AID-ZAAC1836>3.0.CO;2-A","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00","" "1511386","14.71","","14.71","","6.554","","90","","90","","120","","1228.18","","","","","","","","","","","","","5","R -3 :H","-R 3","148","","(Li5.5 Fe0.5) Fe Pb (B6 O12)2","","- B12 Fe1.5 Li5.5 O24 Pb -","- B12 Fe1.498 Li5.502 O24 Pb -","- B36 Fe4.494 Li16.506 O72 Pb3 -","3","0.166667","","Belokoneva, E.L.; Dimitrova, O.V.; Ruchkina, E.A.","Synthesis and crystal structure of the new lithium-enriched hexaborate (Li5.5 Fe0.5) Fe Pb (B6 O12)2 with the original helical chain (B3(box) B3(Delta) O12)6-(infin)","Zhurnal Neorganicheskoi Khimii","2001","46","","25","32","","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00","" "1511388","10.1271","","10.1271","","14.6294","","90","","90","","120","","1299.35","","","","","","","","","","","","","4","R -3 :H","-R 3","148","","Sr (B12 H12) (H2 O)8","","- B12 H12 O8 Sr -","- B12 H12 O8 Sr -","- B36 H36 O24 Sr3 -","3","0.166667","","Schleid, T.; Tiritiris, I.","Dodekahydro-closo-dodekaborate der schweren Erdalkalimetalle aus waessriger Loesung: Ca (H2 O)7 (B12 H12) * (H2 O), Sr (H2 O)8 (B12 H12) und Ba (H2 O)6 (B12 H12)","Zeitschrift fuer Anorganische und Allgemeine Chemie","2001","627","","1836","1845","10.1002/1521-3749(200108)627:8<1836::AID-ZAAC1836>3.0.CO;2-A","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00","" "1511427","18.005","","16.549","","11.245","","90","","91.35","","90","","3349.68","","","","","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","Na6 (B12 (B Se3)4 (B Se2.5)2)","","- B18 Na6 Se17 -","- B18 Na6 Se17 -","- B72 Na24 Se68 -","4","0.5","","Hammerschmidt, A.; Koester, C.; Lindemann, A.; Krebs, B.","Synthesis and crystal structure of Na6 B18 Se17","Zeitschrift fuer Anorganische und Allgemeine Chemie","2001","627","","2121","2126","10.1002/1521-3749(200109)627:9<2121::AID-ZAAC2121>3.0.CO;2-6","","","","","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00","" "1511448","12.2255","","12.2255","","5.446","","90","","90","","120","","704.923","","","","","","","","","","","","","6","P -6","P -6","174","","Ba4 Nd7 (Si12 N23 O) (B N3)","","- B Ba4 N26 Nd7 O Si12 -","- B Ba4 N25.9992 Nd7 O1.0008 Si12 -","- B Ba4 N25.9992 Nd7 O1.0008 Si12 -","1","0.166667","","Orth, M.; Schnick, W.; Hoffmann, R.D.; Poettgen, R.","Orthonitridoborate ions (B N3)(56-) in orthonitridosilicate cages: synthesis, crystal structure and magnetic properties of Ba4 Pr7 (Si12 N23 O) (B N3), Ba4 Nd7 (Si12 N23 O) (B N3) and Ba4 Sm7 (Si12 N23 O) (B N3)","Chemistry - A European Journal","2001","7","","2791","2797","10.1002/1521-3765(20010702)7:13<2791::AID-CHEM2791>3.0.CO;2-Q","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00","" "1511449","12.2568","","12.2568","","5.4483","","90","","90","","120","","708.836","","","","","","","","","","","","","6","P -6","P -6","174","","Ba4 Pr7 (Si12 N23 O) (B N3)","","- B Ba4 N26 O Pr7 Si12 -","- B Ba4 N25.9992 O1.0008 Pr7 Si12 -","- B Ba4 N25.9992 O1.0008 Pr7 Si12 -","1","0.166667","","Orth, M.; Schnick, W.; Poettgen, R.; Hoffmann, R.D.","Orthonitridoborate ions (B N3)(56-) in orthonitridosilicate cages: synthesis, crystal structure and magnetic properties of Ba4 Pr7 (Si12 N23 O) (B N3), Ba4 Nd7 (Si12 N23 O) (B N3) and Ba4 Sm7 (Si12 N23 O) (B N3)","Chemistry - A European Journal","2001","7","","2791","2797","10.1002/1521-3765(20010702)7:13<2791::AID-CHEM2791>3.0.CO;2-Q","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00","" "1511450","12.1597","","12.1597","","5.428","","90","","90","","120","","695.05","","","","","","","","","","","","","6","P -6","P -6","174","","Ba4 Sm7 (Si12 N23 O) (B N3)","","- B Ba4 N26 O Si12 Sm7 -","- B Ba4 N25.9992 O1.0008 Si12 Sm7 -","- B Ba4 N25.9992 O1.0008 Si12 Sm7 -","1","0.166667","","Orth, M.; Poettgen, R.; Schnick, W.; Hoffmann, R.D.","Orthonitridoborate ions (B N3)(56-) in orthonitridosilicate cages: synthesis, crystal structure and magnetic properties of Ba4 Pr7 (Si12 N23 O) (B N3), Ba4 Nd7 (Si12 N23 O) (B N3) and Ba4 Sm7 (Si12 N23 O) (B N3)","Chemistry - A European Journal","2001","7","","2791","2797","10.1002/1521-3765(20010702)7:13<2791::AID-CHEM2791>3.0.CO;2-Q","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00","" "1511465","10.4354","","9.6126","","3.588","","90","","90","","90","","359.917","","","","","","","","","","","","","4","P n a m","-P 2c 2n","62","","Ca Y (B O3) O","","- B Ca O4 Y -","- B Ca O4 Y -","- B4 Ca4 O16 Y4 -","4","0.5","","Xu, Y.P.; Zhang, Y.; Xu, T.; Chen, X.L.; Liang, J.K.","Phase relations in the system Y2 O3 - Ca O - B2 O3","Journal of Alloys Compd.","2001","327","","132","135","10.1016/S0925-8388(01)01556-0","","","","","","","","","","","","","","","","","","","","","has coordinates","176432","2020-10-21","18:00:00","" "1511471","9.7189","","14.7941","","7.6232","","90","","90.005","","90","","1096.08","","","","","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","La6 B4 N10","","- B4 La6 N10 -","- B4 La6 N10 -","- B16 La24 N40 -","4","1","","Meyer, H.J.; Jing, H.-P.; Pickardt, J.","Anionische Fragmente aus h-(B N) in der Struktur La6 B4 N10","Zeitschrift fuer Anorganische und Allgemeine Chemie","2001","627","","2070","2074","10.1002/1521-3749(200109)627:9<2070::AID-ZAAC2070>3.0.CO;2-8","","","","","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00","" "1511491","7.1775","","7.1775","","4.0996","","90","","90","","90","","211.197","","","","","","","","","","","","","2","P 4/m b m","-P 4 2ab","127","","Nd B4","","- B4 Nd -","- B4 Nd -","- B16 Nd4 -","4","0.25","","Goncalves, A.P.; Sologub, O.L.; Almeida, M.; Salamakha, P.S.","Single crystal investigation of the binary Nd B4 compound","Journal of Alloys Compd.","2001","316","","4","6","","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00","" "1511500","10.513","","25.021","","10.513","","90","","90.1","","90","","2765.4","","","","","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","Ba7 (B Se3)4 Se","","- B4 Ba7 Se13 -","- B4 Ba7 Se13 -","- B16 Ba28 Se52 -","4","0.5","","Krebs, B.; Hammerschmidt, A.; Koester, C.; Kueper, J.; Lindemann, A.","Novel alkaline earth metal chalcogenoborates: syntheses and crystal structures of Sr4.2 Ba2.8 (B S3)4 S and Ba7 (B Se3)4 Se","Zeitschrift fuer Anorganische und Allgemeine Chemie","2001","627","","1253","1258","10.1002/1521-3749(200106)627:6<1253::AID-ZAAC1253>3.0.CO;2-R","","","","","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00","" "1511502","6.7415","","13.225","","13.389","","119.093","","92.288","","91.012","","1041.33","","","","","","","","","","","","","3","P -1","-P 1","2","","Tl2 (B4 O7)","","- B4 O7 Tl2 -","- B4 O7 Tl2 -","- B24 O42 Tl12 -","6","3","","Gerand, B.; Touboul, M.; Nowogrocki, G.; Seguin, L.; Penin, N.","beta-(Tl2 B4 O7): compound containing a new three-dimensional borate anion","Journal of Solid State Chemistry","2001","160","","139","146","10.1006/jssc.2001.9207","","","","","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00","" "1511525","10.3081","","10.3081","","14.2589","","90","","90","","90","","1515.11","","","","","","","","","","","","","3","P 43 21 2","P 4nw 2abw","96","","Sc2.27 B44.57 Si0.41","","- B44.57 Sc2.27 Si0.41 -","- B44.566 Sc2.266 Si0.406 -","- B178.264 Sc9.064 Si1.624 -","4","0.5","","Tanaka, T.; Sato, A.","Floating zone crystal growth and structure analysis of a novel Sc B19 family compound, Sc B19+x Siy","Journal of Solid State Chemistry","2001","160","","394","400","10.1006/jssc.2001.9253","","","","","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00","" "1511534","17.523","","12.008","","11.901","","90","","103.95","","90","","2430.31","","","","","","","","","","","","","3","C 1 2/m 1","-C 2y","12","","Tb16 Br23 B4","","- B4 Br23 Tb16 -","- B4 Br23 Tb16 -","- B8 Br46 Tb32 -","2","0.25","","Oeckler, O.; Mattausch, H.J.; Vajenine, G.V.; Kremer, R.K.; Simon, A.","Tb16 Br23 B4: endohedrale Bor-atome in tetrameren Terbiumclusters","Zeitschrift fuer Anorganische und Allgemeine Chemie","2001","627","","2542","2546","10.1002/1521-3749(200111)627:11<2542::AID-ZAAC2542>3.0.CO;2-7","","","","","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00","" "1511539","8.697","","8.431","","21.41","","90","","90","","90","","1569.88","","","","","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","Cs (B5 O8)","","- B5 Cs O8 -","- B5 Cs O8 -","- B40 Cs8 O64 -","8","1","","Touboul, M.; Nowogrocki, G.; Seguin, L.; Penin, N.","Crystal structures of three M B5 O8 (M = Cs, Rb) borates (alpha-(Cs B5 O8), gamma-(Cs B5 O8) and beta-(Rb B5 O8))","Journal of Solid State Chemistry","2001","161","","205","213","10.1006/jssc.2001.9297","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00","" "1511554","7.553","","11.857","","14.813","","90","","90","","90","","1326.59","","","","","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","Rb (B5 O8)","","- B5 O8 Rb -","- B5 O8 Rb -","- B40 O64 Rb8 -","8","1","","Seguin, L.; Touboul, M.; Penin, N.; Nowogrocki, G.","Crystal structures of three M B5 O8 (M = Cs, Rb) borates (alpha-(Cs B5 O8), gamma-(Cs B5 O8) and beta-(Rb B5 O8))","Journal of Solid State Chemistry","2001","161","","205","213","10.1006/jssc.2001.9297","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00","" "1511610","9.805","","9.805","","25.868","","90","","90","","120","","2153.72","","","","","","","","","","","","","5","P 31","P 31","144","","La4 Tb10 (Ge O4)2 (B O3)6 O8","","- B6 Ge2 La4 O34 Tb10 -","- B6 Ge2 La4 O34 Tb10 -","- B18 Ge6 La12 O102 Tb30 -","3","1","","Dzhurinskii, B.F.; Kvardakov, A.M.; Sanygin, V.P.; Kuz'mina, N.E.; Palkina, K.K.; Pobedina, A.B.","Oxoboratogermanate Lax Tb14-x (Ge O4)2 (B O3)6 (O8)","Zhurnal Neorganicheskoi Khimii","2001","46","","539","544","","","","","","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00","" "1511688","18.146","","18.146","","25.98","","90","","90","","120","","7408.52","","","","","","","","","","","","","4","R -3 c :H","-R 3 2""c","167","","K4 Ba11 (B S3)8 S","","- B8 Ba11 K4 S25 -","- B8 Ba11.01 K3.99 S25 -","- B48 Ba66.06 K23.94 S150 -","6","0.166667","","Koester, C.; Krebs, B.; Jansen, C.; Kueper, J.; Hammerschmidt, A.","Syntheses, crystal structures, and properties of the novel thioborates K Ba4 (B S3)3 and K4 Ba11 (B S3)8 S","Zeitschrift fuer Anorganische und Allgemeine Chemie","2001","627","","669","674","10.1002/1521-3749(200104)627:4<669::AID-ZAAC669>3.0.CO;2-5","","","","","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00","" "1511702","11.0223","","11.0223","","17.106","","90","","90","","120","","1799.8","","","","","","","","","","","","","4","R 3 c :H","R 3 -2""c","161","","Ba Li (B9 O15)","","- B9 Ba Li O15 -","- B9 Ba Li O15 -","- B54 Ba6 Li6 O90 -","6","0.333333","","Nowogrocki, G.; Touboul, M.; Seguin, L.; Penin, N.","Synthesis and crystal structure of three M M' B9 O15 borates (M= Ba, Sr and M'= Li; M= Ba and M'= Na)","International Journal of Inorganic Materials","2001","3","","1015","1023","10.1016/S1466-6049(01)00078-2","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00","" "1511704","11.0933","","11.0933","","17.392","","90","","90","","120","","1853.54","","","","","","","","","","","","","4","R 3 c :H","R 3 -2""c","161","","Ba Na (B9 O15)","","- B9 Ba Na O15 -","- B9 Ba Na O15 -","- B54 Ba6 Na6 O90 -","6","0.333333","","Nowogrocki, G.; Penin, N.; Touboul, M.; Seguin, L.","Synthesis and crystal structure of three M M' B9 O15 borates (M = Ba, Sr and M' = Li; M = Ba and M' = Na)","International Journal of Inorganic Materials","2001","3","","1015","1023","10.1016/S1466-6049(01)00078-2","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00","" "1511710","10.6129","","10.6129","","17.555","","90","","90","","120","","1712.38","","","","","","","","","","","","","4","R 3 c :H","R 3 -2""c","161","","Sr Li (B9 O15)","","- B9 Li O15 Sr -","- B9 Li O15 Sr -","- B54 Li6 O90 Sr6 -","6","0.333333","","Nowogrocki, G.; Seguin, L.; Touboul, M.; Penin, N.","Synthesis and crystal structure of three M M' B9 O15 borates (M = Ba, Sr and M' = Li; M = Ba and M' = Na)","International Journal of Inorganic Materials","2001","3","","1015","1023","10.1016/S1466-6049(01)00078-2","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00","" "1511715","5.0987","","5.0987","","17.6523","","90","","90","","120","","397.421","","","","","","","","","","","","","3","P 6/m m m","-P 6 2","191","","Nd5 Co21 B4","","- B4 Co21 Nd5 -","- B4 Co21 Nd5 -","- B4 Co21 Nd5 -","1","0.0416667","","Liang, J.K.; Liu, G.Y.; Rao, G.-H.; Chu, W.G.; Yang, H.F.","Crystal structure and magnetic properties of the compound Nd5 Co21 B4","Journal of Applied Physics","2001","90","","1931","1933","10.1063/1.1389082","","","","","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00","" "1511733","9.902","","23.504","","9.884","","90","","90.01","","90","","2300.37","","","","","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","Sr4.2 Ba2.8 (B S3)4 S","","- B4 Ba2.8 S13 Sr4.2 -","- B4 Ba2.83 S13 Sr4.17 -","- B16 Ba11.32 S52 Sr16.68 -","4","0.5","","Lindemann, A.; Hammerschmidt, A.; Kueper, J.; Krebs, B.; Koester, C.","Novel alkaline earth metsl chalcogenoborates: syntheses and crystal structures of Sr4.2 Ba2.8 (B S3)4 S and Ba7 (B Se3)4 Se","Zeitschrift fuer Anorganische und Allgemeine Chemie","2001","627","","1253","1258","10.1002/1521-3749(200106)627:6<1253::AID-ZAAC1253>3.0.CO;2-R","","","","","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00","" "1514006","8.2483","0.0006","8.2483","0.0006","8.2483","0.0006","90","","90","","90","","561.17","0.07","","","","","","","","","","","","3","F d -3 m :2","-F 4vw 2vw 3","227","","Lithium Manganese(III) Manganese(IV) Oxide","","- Li Mn2 O4 -","- Li Mn2 O4 -","- Li8 Mn16 O32 -","8","0.0416667","","Akimoto, J.; Takahashi, Y.; Gotoh, Y.; Mizuta, S.","Single crystal growth of the spinel-type Li Mn2 O4","Journal of Crystal Growth","2001","229","","405","408","10.1016/S0022-0248(01)01190-3","","","","","","","","","","","","","","","","","","","","","has coordinates","176808","2020-10-21","18:00:00","" "1514007","8.1811","0.0003","8.1811","0.0003","8.1811","0.0003","90","","90","","90","","547.56","0.03","","","","","","","","","","","","3","F d -3 m :2","-F 4vw 2vw 3","227","","Lithium Manganese Oxide (0.78/1.88/4)","Unnamed_Spinel","- Li0.78 Mn1.88 O4 -","- Li0.78 Mn1.88 O4 -","- Li6.24 Mn15.04 O32 -","8","0.0416667","","Ibarra Palos, A.; Anne, M.; Strobel, P.","Topotactic reactions, structural studies and lithium intercalation in cation-deficient spinels with formula close to Li2 Mn4 O9","Journal of Solid State Chemistry","2001","160","","108","117","10.1006/jssc.2001.9200","","","","","","0.016","","","","","","","","","","","","","","","has coordinates","176808","2020-10-21","18:00:00","" "1514008","8.225","0.001","8.225","0.001","8.225","0.001","90","","90","","90","","556.43","0.12","","","","","","","","","","","","3","F d -3 m :2","-F 4vw 2vw 3","227","","Lithium Manganese(III) Manganese(IV) Oxide","","- Li Mn2 O4 -","- Li Mn2 O4 -","- Li8 Mn16 O32 -","8","0.0416667","","Berg, H.; Rundlof, H.; Thomas, J. O.","The Li Mn2 O4 to lambda-(Mn O2) phase transition studied by in situ neutron diffraction","Solid State Ionics","2001","144","","65","69","10.1016/S0167-2738(01)00894-3","","","","","","0.0194","","","","","","","","","","","","","","","has coordinates","176808","2020-10-21","18:00:00","" "1514009","8.206","0.001","8.206","0.001","8.206","0.001","90","","90","","90","","552.58","0.12","","","","","","","","","","","","3","F d -3 m :2","-F 4vw 2vw 3","227","","Lithium Manganese(III) Manganese(IV) Oxide","","- Li Mn2 O4 -","- Li Mn2 O4 -","- Li8 Mn16 O32 -","8","0.0416667","","Berg, H.; Rundlof, H.; Thomas, J. O.","The Li Mn2 O4 to lambda-(Mn O2) phase transition studied by in situ neutron diffraction","Solid State Ionics","2001","144","","65","69","10.1016/S0167-2738(01)00894-3","","","","","","0.0156","","","","","","","","","","","","","","","has coordinates","176808","2020-10-21","18:00:00","" "1514010","8.155","0.001","8.155","0.001","8.155","0.001","90","","90","","90","","542.34","0.12","","","","","","","","","","","","3","F d -3 m :2","-F 4vw 2vw 3","227","","Lithium Manganese Oxide (0.64/2/4)","","- Li0.64 Mn2 O4 -","- Li0.64 Mn2 O4 -","- Li5.12 Mn16 O32 -","8","0.0416667","","Berg, H.; Rundlof, H.; Thomas, J. O.","The Li Mn2 O4 to lambda-(Mn O2) phase transition studied by in situ neutron diffraction","Solid State Ionics","2001","144","","65","69","10.1016/S0167-2738(01)00894-3","","","","","","0.0173","","","","","","","","","","","","","","","has coordinates","176808","2020-10-21","18:00:00","" "1514011","8.136","0.001","8.136","0.001","8.136","0.001","90","","90","","90","","538.56","0.11","","","","","","","","","","","","3","F d -3 m :2","-F 4vw 2vw 3","227","","Lithium Manganese Oxide (0.65/2/4)","","- Li0.65 Mn2 O4 -","- Li0.65 Mn2 O4 -","- Li5.2 Mn16 O32 -","8","0.0416667","","Berg, H.; Rundlof, H.; Thomas, J. O.","The Li Mn2 O4 to lambda-(Mn O2) phase transition studied by in situ neutron diffraction","Solid State Ionics","2001","144","","65","69","10.1016/S0167-2738(01)00894-3","","","","","","0.0166","","","","","","","","","","","","","","","has coordinates","176808","2020-10-21","18:00:00","" "1514012","8.113","0.001","8.113","0.001","8.113","0.001","90","","90","","90","","534","0.11","","","","","","","","","","","","3","F d -3 m :2","-F 4vw 2vw 3","227","","Lithium Manganese Oxide (0.49/2/4)","","- Li0.49 Mn2 O4 -","- Li0.49 Mn2 O4 -","- Li3.92 Mn16 O32 -","8","0.0416667","","Berg, H.; Rundlof, H.; Thomas, J. O.","The Li Mn2 O4 to lambda-(Mn O2) phase transition studied by in situ neutron diffraction","Solid State Ionics","2001","144","","65","69","10.1016/S0167-2738(01)00894-3","","","","","","0.0197","","","","","","","","","","","","","","","has coordinates","176808","2020-10-21","18:00:00","" "1514013","8.155","0.001","8.155","0.001","8.155","0.001","90","","90","","90","","542.34","0.12","","","","","","","","","","","","3","F d -3 m :2","-F 4vw 2vw 3","227","","Lithium Manganese Oxide (0.22/2/4)","","- Li0.22 Mn2 O4 -","- Li0.22 Mn2 O4 -","- Li1.76 Mn16 O32 -","8","0.0416667","","Berg, H.; Rundlof, H.; Thomas, J. O.","The Li Mn2 O4 to lambda-(Mn O2) phase transition studied by in situ neutron diffraction","Solid State Ionics","2001","144","","65","69","10.1016/S0167-2738(01)00894-3","","","","","","0.016","","","","","","","","","","","","","","","has coordinates","176808","2020-10-21","18:00:00","" "1514014","8.155","0.001","8.155","0.001","8.155","0.001","90","","90","","90","","542.34","0.12","","","","","","","","","","","","3","F d -3 m :2","-F 4vw 2vw 3","227","","Lithium Manganese Oxide (0.27/2/4)","","- Li0.27 Mn2 O4 -","- Li0.27 Mn2 O4 -","- Li2.16 Mn16 O32 -","8","0.0416667","","Berg, H.; Rundlof, H.; Thomas, J. O.","The Li Mn2 O4 to lambda-(Mn O2) phase transition studied by in situ neutron diffraction","Solid State Ionics","2001","144","","65","69","10.1016/S0167-2738(01)00894-3","","","","","","0.0159","","","","","","","","","","","","","","","has coordinates","176808","2020-10-21","18:00:00","" "1517684","13.098","0.001","5.2763","0.0006","13.222","0.002","90","","120.67","0.05","90","","785.9","0.4","","","","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","Oxoniobium Phosphate(V)","","- Nb O5 P -","- Nb O5 P -","- Nb8 O40 P8 -","8","2","","Amos, T.; Sleight, A.W.","Negative thermal expansion in orthorhombic Nb O P O4","Journal of Solid State Chemistry","2001","160","","230","238","","","","","","","0.056","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00","" "1517685","13.081","0.01","5.2875","0.0006","13.255","0.002","90","","120.6","0.05","90","","789.1","0.7","","","","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","Oxoniobium Phosphate(V)","","- Nb O5 P -","- Nb O5 P -","- Nb8 O40 P8 -","8","2","","Amos, T.; Sleight, A.W.","Negative thermal expansion in orthorhombic Nb O P O4","Journal of Solid State Chemistry","2001","160","","230","238","","","","","","","0.056","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00","" "1517735","11.255","0.001","5.315","0.001","6.657","0.001","90","","90","","90","","398.22","0.1","","","598.15","","","","","","","","","3","P n m a","-P 2ac 2n","62","","Oxoniobium Phosphate(V)","","- Nb O5 P -","- Nb O5 P -","- Nb4 O20 P4 -","4","0.5","","Amos, T.G.; Sleight, A.W.","Negative thermal expansion in orthorhombic Nb O P O4","Journal of Solid State Chemistry","2001","160","","230","238","","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00","" "1517736","11.253","0.001","5.316","0.001","6.661","0.001","90","","90","","90","","398.47","0.1","","","673.15","","","","","","","","","3","P n m a","-P 2ac 2n","62","","Oxoniobium Phosphate(V)","","- Nb O5 P -","- Nb O5 P -","- Nb4 O20 P4 -","4","0.5","","Amos, T.G.; Sleight, A.W.","Negative thermal expansion in orthorhombic Nb O P O4","Journal of Solid State Chemistry","2001","160","","230","238","","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00","" "1519291","10.9877","0.0007","11.9703","0.0008","22.4663","0.0018","90","","90","","90","","2954.9","0.4","120","2","120","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C28 H32 N2 O11 S -","- C28 H32 N2 O11 S -","- C112 H128 N8 O44 S4 -","4","1","","Light, Mark E.; Jimenez, J. L.; Hursthouse, Michael B.; Cintas, P.; Babiano, R.; Avalos, M.; Arevalo, M. J.; Palacios, J. C.","5-Cyano-2-methyl-4-phenyl-1-(5,6,7-tris(acetoxy)-2,10-dioxa-3,9-dioxa-undeca- 4-yl)-2-aza-7-thiabicyclo[2.2.1]heptane-3-one","Crystal Structure Report Archive","2001","","","117","","","","","0.71073","MoKα","","0.3088","0.0848","","","0.1318","0.193","","","","","","0.904","","","","has coordinates","176729","2020-10-21","18:00:00","" "1519292","32.285","0.002","11.8982","0.0006","19.8475","0.0011","90","","90","","90","","7624.1","0.7","120","2","120","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C45 H31.5 N7.5 O9 -","- C45 H31.5 N7.5 O9 -","- C360 H252 N60 O72 -","8","1","","Light, Mark E.; Hursthouse, Michael B.; Gale, Phil A.; Camiolo, S.","N,N'-bis(4-Nitrophenyl)-3,4-diphenyl-1H-pyrrole-2,5-dicarboxamide","Crystal Structure Report Archive","2001","","","120","","","","","0.71073","MoKα","","0.3726","0.0941","","","0.1043","0.1634","","","","","","0.958","","","","has coordinates","176435","2020-10-21","18:00:00","" "1519293","10.973","0.002","12.764","0.003","20.721","0.004","90","","90","","90","","2902.2","1","150","2","150","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C15 H19 F O4 -","- C15 H19 F O4 -","- C120 H152 F8 O32 -","8","2","","Hursthouse, Michael B.; Light, Mark E.","(2S)-1-(4-Fluorophenyl)-2-hydroxy-2-((2S,5R)-5-(1-hydroxy-1-methylethyl)- tetrahydrofuran-2-yl)ethanone","Crystal Structure Report Archive","2001","","","121","","","","","0.71073","MoKα","","0.1088","0.0452","","","0.1013","0.1305","","","","","","0.882","","","","has coordinates","176729","2020-10-21","18:00:00","" "1519294","9.9881","0.0013","10.8183","0.0014","10.954","0.0018","96.541","0.008","91.269","0.007","99.439","0.007","1159","0.3","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","","","- C16 H36 O6 Si4 -","- C16 H36 O6 Si4 -","- C32 H72 O12 Si8 -","2","1","","MacKinnon, I. A.; Liu, Z.; Taylor, P. G.; Yang, Y.; Hursthouse, Michael B.; Horton, Peter N.; Light, Mark E.; Bassindale, A. R.","octakis(Isobutyl)octasilsesquioxane","Crystal Structure Report Archive","2001","","","59","","","","","0.71073","MoKα","","0.2189","0.0841","","","0.1572","0.2024","","","","","","0.968","","","","has coordinates","176729","2020-10-21","18:00:00","" "1519295","12.56","0.0008","9.1084","0.0008","14.2275","0.0011","90","","102.86","0.005","90","","1586.8","0.2","120","2","120","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C16 H34 Cl4 N10 O4 P6 -","- C16 H34 Cl4 N10 O4 P6 -","- C32 H68 Cl8 N20 O8 P12 -","2","0.5","","Yesilot, S.; Ciftci, G. Y.; Shaw, R. A.; Kilic, A.; Hursthouse, Michael B.; Eaton, R. J.; Davies, David B.; Coles, Simon J.; Besli, S.","meso-(R*,S*)-1,4-bis(15,15-Dichloro-1,5-dioxa-7,9,13,14,16-pentaaza-6,8,15- triphosphadispiro(5.1.5.3)hexadeca-6(16),7,14-trien-9-yl)butane","Crystal Structure Report Archive","2001","","","60","","","","","0.71073","MoKα","","0.1633","0.0612","","","0.1217","0.1539","","","","","","0.957","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00","" "1519296","14.3683","0.0003","18.0913","0.0004","18.3397","0.0004","106.259","0.001","109.92","0.001","101.908","0.001","4055.2","0.16","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","","","- C64 H120 O28 Si8 -","- C64 H120 O28 Si8 -","- C128 H240 O56 Si16 -","2","1","","Hursthouse, Michael B.; Horton, Peter N.; Light, Mark E.; Yang, Y.; Taylor, P. G.; MacKinnon, I. A.; Liu, Z. and; Bassindale, A. R.","octakis(4-Methoxycarbonyl)-3,3-dimethyl-n-butyl)octasilsesquioxane","Crystal Structure Report Archive","2001","","","105","","","","","0.71073","MoKα","","0.0996","0.0495","","","0.1","0.1162","","","","","","0.975","","","","has coordinates","176729","2020-10-21","18:00:00","" "1519297","11.7592","0.0004","25.9714","0.0009","12.6411","0.0005","90","","96.581","0.002","90","","3835.2","0.2","120","2","120","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C42 H48 O8 -","- C42 H48 O8 -","- C168 H192 O32 -","4","1","","Gelbrich, Thomas; Light, Mark E.; Prokes, I.; Tucker, J. H. R.; Dudic, M.; Miyaji, H.; Hursthouse, Michael B.; Stibor, I.; Lhotak, P. L.; Brammer, L.","25,26,27,28-tetrakis(1-Propoxy)calix(4)arene-5,17-dicarboxylic acid","Crystal Structure Report Archive","2001","","","65","","","","","0.71073","MoKα","","0.1671","0.0726","","","0.1599","0.1925","","","","","","1.063","","","","has coordinates","270070","2021-10-23","18:39:36","" "1519298","19.0961","0.0008","8.5356","0.0005","16.7145","0.0007","90","","115.869","0.004","90","","2451.4","0.2","120","2","120","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C20 H30 Cl2 Fe N6 O8 -","- C20 H30 Cl2 Fe N6 O8 -","- C80 H120 Cl8 Fe4 N24 O32 -","4","0.5","","Fallis, Ian A.; Light, Mark E.; Hursthouse, Michael B.","C20H30Cl2FeN6O8","Crystal Structure Report Archive","2001","","","726","","","","","0.71073","MoKα","","0.0601","0.0468","","","0.1104","0.117","","","","","","1.048","","","","has coordinates","176729","2020-10-21","18:00:00","" "1519299","10.0025","0.0003","10.8274","0.0004","10.9642","0.0004","96.668","0.002","91.162","0.002","99.392","0.001","1162.66","0.07","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","","","- C32 H72 O12 Si8 -","- C32 H72 O12 Si8 -","- C32 H72 O12 Si8 -","1","0.5","","Taylor, Peter. G.; Gelbrich, Thomas; Hursthouse, Michael B.","C32H72O12Si8","Crystal Structure Report Archive","2001","","","839","","","","","0.71073","MoKα","","0.056","0.0382","","","0.093","0.0991","","","","","","0.994","","","","has coordinates","176729","2020-10-21","18:00:00","" "1519300","12.7896","0.0002","16.8418","0.0003","19.3694","0.0003","90","","91.553","0.001","90","","4170.63","0.12","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C34 H71 Cu N7 O10 -","- C34 H71 Cu N7 O10 -","- C136 H284 Cu4 N28 O40 -","4","1","","Fallis, Ian A.; Gelbrich, Thomas; Hursthouse, Michael B.","C34H71CuN7O10","Crystal Structure Report Archive","2001","","","840","","","","","0.71073","MoKα","","0.0967","0.0576","","","0.1093","0.1183","","","","","","1.024","","","","has coordinates","176729","2020-10-21","18:00:00","" "1519301","23.868","0.005","8.339","0.0017","20.378","0.004","90","","90","","90","","4055.9","1.4","120","2","120","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C8 H12 Cl Cu N4 O4 -","- C8 Cl Cu N4 O4 -","- C96 Cl12 Cu12 N48 O48 -","12","3","","Fallis, Ian A.; Coles, Simon J.; Hursthouse, Michael B.","C8H12ClCuN4O4","Crystal Structure Report Archive","2001","","","1044","","","","","0.71073","MoKα","","0.1177","0.0511","","","0.0774","0.0937","","","","","","0.92","","","","has coordinates","176729","2020-10-21","18:00:00","" "1519302","7.9703","0.0016","12.128","0.002","14.121","0.003","79.14","0.03","83.06","0.03","77.29","0.03","1303.2","0.5","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C27 H36 N2 O6 Si -","- C27 H36 N2 O6 Si -","- C54 H72 N4 O12 Si2 -","2","1","","Hursthouse, Michael B.; Coles, Simon J.","((2R,5R)-2,5-bis(4-Nitrophenyl)perhydrofuro(2,3-b)furan-3-yl)triisopropylsilane","Crystal Structure Report Archive","2001","","","108","","","","","0.71073","MoKα","","0.0576","0.045","","","0.1196","0.1278","","","","","","1.02","","","","has coordinates","176729","2020-10-21","18:00:00","" "1519303","15.094","0.002","9.007","0.0012","10.3253","0.0016","90","","90","","90","","1403.7","0.3","120","2","120","2","","","","","","","","4","C m c 21","C 2c -2","36","","","","- C6 H11 Cl0.5 N1.5 -","- C6 H11.5 Cl0.5 N1.5 -","- C48 H92 Cl4 N12 -","8","1","","Hursthouse, Michael B.; Gale, Phil A.; Coles, Simon J.","Pyrrole hemikis(tetramethylammonium chloride)","Crystal Structure Report Archive","2001","","","122","","","","","0.71073","MoKα","","0.09","0.0617","","","0.1393","0.1558","","","","","","1.056","","","","has coordinates","176435","2020-10-21","18:00:00","" "1519304","14.6339","0.0003","7.7463","0.0001","35.8752","0.0007","90","","91.066","0.003","90","","4066.06","0.13","120","2","120","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C20 H31 N O3 Si -","- C20 H31 N O3 Si -","- C160 H248 N8 O24 Si8 -","8","1","","Hursthouse, Michael B.; Light, Mark E.","Triisopropyl-(5-(4-nitrophenyl)tetrahydrofuran-3-ylidenemethyl)silane","Crystal Structure Report Archive","2001","","","123","","","","","0.71073","MoKα","","0.2006","0.0824","","","0.1954","0.2539","","","","","","0.968","","","","has coordinates","176729","2020-10-21","18:00:00","" "1519305","11.4829","0.0003","14.5419","0.0003","15.7595","0.0004","90","","90","","90","","2631.57","0.11","120","2","120","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C27 H36 N2 O6 Si -","- C27 H36 N2 O6 Si -","- C108 H144 N8 O24 Si4 -","4","1","","Hursthouse, Michael B.; Light, Mark E.","((2R,5S)-2,5-bis(4-Nitrophenyl)perhydrofuro(2,3-b)furan-3-yl)triisopropylsilane","Crystal Structure Report Archive","2001","","","124","","","","","0.71073","MoKα","","0.0363","0.0307","","","0.0722","0.0738","","","","","","1.005","","","","has coordinates","176729","2020-10-21","18:00:00","" "1519306","9.686","0.0002","18.6429","0.0004","15.5603","0.0003","90","","104.503","0.005","90","","2720.27","0.11","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C32 H29 N3 O3 S -","- C32 H29 N3 O3 S -","- C128 H116 N12 O12 S4 -","4","1","","Hursthouse, Michael B.; Coles, Simon J.; Light, Mark E.; Chapman, C. P.; Tizzard, G. J.; Camiolo, S.; Gale, Phil A.","N,N'-Diphenyl-3,4-diphenyl-1H-pyrrole-2,5-dicarboxamide dimethylsulfoxide solvate","Crystal Structure Report Archive","2001","","","125","","","","","0.71073","MoKα","","0.1302","0.0616","","","0.1249","0.15","","","","","","0.995","","","","has coordinates","176729","2020-10-21","18:00:00","" "1519307","26.798","0.002","6.0907","0.0006","12.6373","0.0015","90","","108.968","0.003","90","","1950.6","0.3","120","2","120","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C9.5 H9 B Fe O4 -","- C9.5 H9 B Fe O4 -","- C76 H72 B8 Fe8 O32 -","8","1","","Hursthouse, Michael B.; Light, Mark E.; Coles, Simon J.; Steed, J. W.; Evans, D. J.; Jones, C.; Willock, D. J.; Dickinson, A. A.; Rossin, A.; Calder, R. J.; Aldridge, Simon","C9.5H9BFeO4","Crystal Structure Report Archive","2001","","","64","","","","","0.71073","MoKα","","0.0732","0.0427","","","0.0886","0.1054","","","","","","1.089","","","","has coordinates","176435","2020-10-21","18:00:00","" "1519308","10.6895","0.0002","13.406","0.0002","13.6885","0.0002","93.628","0.003","93.588","0.003","113.06","0.003","1793.08","0.07","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","","","- C19 H5 B F10 Fe O2 -","- C19 H5 B F10 Fe O2 -","- C76 H20 B4 F40 Fe4 O8 -","4","2","","Hursthouse, Michael B.; Light, Mark E.; Willock, D. J.; Dickinson, A. A.; Calder, R. J.; Al-Fawaz, A.; Aldridge, Simon","(I.5-Cyclopentadienyl)-dicarbonyl-(bis(pentafluorophenyl)boryl)-iron","Crystal Structure Report Archive","2001","","","105","","","","","0.71073","MoKα","","0.0829","0.0431","","","0.0741","0.0858","","","","","","0.942","","","","has coordinates","176729","2020-10-21","18:00:00","" "1519309","16.4355","0.0003","13.0381","0.0002","6.5149","0.0001","90","","90","","90","","1396.06","0.04","120","2","120","2","","","","","","","","3","P c a 21","P 2c -2ac","29","","","","- C16 H14 O7 -","- C16 H14 O7 -","- C64 H56 O28 -","4","1","","Ward, Robert S.; Light, Mark E.; Hursthouse, Michael B.","C16H14O7","Crystal Structure Report Archive","2001","","","727","","","","","0.71073","MoKα","","0.0394","0.0353","","","0.092","0.0956","","","","","","0.889","","","","has coordinates","176729","2020-10-21","18:00:00","" "1519310","10.0902","0.0002","16.9073","0.0003","28.4041","0.0007","97.307","0.001","93.506","0.001","106.505","0.001","4584.11","0.17","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","","","- C63 H44 Cl2 Fe -","- C63 H44 Cl2 Fe -","- C252 H176 Cl8 Fe4 -","4","2","","Richards, Chris J.; Gelbrich, Thomas; Hursthouse, Michael B.","C62H42Fe.CH2Cl2","Crystal Structure Report Archive","2001","","","836","","","","","0.71073","MoKα","","0.1578","0.0632","","","0.103","0.1174","","","","","","0.989","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00","" "1519311","8.4889","0.0002","11.535","0.0002","31.9275","0.0006","90","","90","","90","","3126.32","0.11","120","2","120","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C26 H33 Cl N4 O12 -","- C26 H33 Cl N4 O12 -","- C104 H132 Cl4 N16 O48 -","4","1","","Palacios, J. C.; Light, Mark E.; Jimenez, J. L.; Hursthouse, Michael B.; Gordillo, R.; Clemente, F. R.; Cintas, P.; Babiano, R.; Avalos, M.","(1E,2Z)-1-(Chlorophenyl)-1,2-bis(ethoxycarbonyl)-D-glucosazone","Crystal Structure Report Archive","2001","","","118","","","","","0.71073","MoKα","","0.0784","0.0498","","","0.1105","0.1224","","","","","","0.988","","","","has coordinates","176729","2020-10-21","18:00:00","" "1519312","25.85","0.003","4.6425","0.0007","16.978","0.003","90","","123.95","0.03","90","","1690.2","0.7","120","2","120","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C21 H21 N O3 -","- C21 H21 N O3 -","- C84 H84 N4 O12 -","4","1","","Gelbrich, Thomas; Le Strat, Frederic; Harrowven, David C; Hursthouse, Michael B.","5-(4,4-Diethoxybut-2-yn-1-yl)phenanthridin-6(5H)-one","Crystal Structure Report Archive","2001","","","400","","","","","0.71073","MoKα","","0.1127","0.0532","","","0.0955","0.1122","","","","","","0.981","","","","has coordinates","176729","2020-10-21","18:00:00","" "1519313","10.3182","0.0003","21.7444","0.0007","6.7","0.0002","90","","96.89","0.02","90","","1492.38","0.1","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H19 N O2 -","- C19 H19 N O2 -","- C76 H76 N4 O8 -","4","1","","Gelbrich, Thomas; Swain, Nigel; Hursthouse, Michael B.; Brown, Richard","5-Methyl-3,6-diphenyl-hexahydrofuro[3,4-c]pyrrol-4-one","Crystal Structure Report Archive","2001","","","529","","","","","0.71073","MoKα","","0.0697","0.0445","","","0.1084","0.1182","","","","","","0.977","","","","has coordinates","176729","2020-10-21","18:00:00","" "1519314","10.3182","0.0003","21.7444","0.0007","6.7","0.0002","90","","96.89","0.02","90","","1492.38","0.1","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H19 N O2 -","- C19 H19 N O2 -","- C76 H76 N4 O8 -","4","1","","Gelbrich, Thomas; Swain, Nigel; Hursthouse, Michael B.; Brown, Richard","5-Methyl-3,6-diphenyl-hexahydro-furo-[3,4-c]pyrrol-4-one","Crystal Structure Report Archive","2001","","","531","","","","","0.71073","MoKα","","0.0697","0.0445","","","0.1084","0.1182","","","","","","0.977","","","","has coordinates","176729","2020-10-21","18:00:00","" "1519315","24.7998","0.0005","16.6806","0.0003","24.9057","0.0005","90","","107.161","0.003","90","","9844.2","0.4","120","2","120","2","","","","","","","","4","P 1 2/c 1","-P 2yc","13","","","","- C54 H60 N4 O6 -","- C54 H60 N4 O6 -","- C432 H480 N32 O48 -","8","2","","Lhotak, P. L.; Stibor, I.; Hursthouse, Michael B.; Light, Mark E.; Prokes, I.; Tucker, J. H. R.; Dudic, M.; Miyaji, H.","5,17-bis((6-methyl-2-pyridyl)amido)-25,26,27,28-tetrakis(propoxy)calix(4)arene","Crystal Structure Report Archive","2001","","","67","","","","","0.71073","MoKα","","0.1401","0.0626","","","0.1491","0.1796","","","","","","0.983","","","","has coordinates","176729","2020-10-21","18:00:00","" "1519316","20.5733","0.0004","17.9742","0.0003","25.3788","0.0005","90","","101.582","0.003","90","","9193.7","0.3","120","2","120","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C54 H61 N4 O6 -","- C54 H61 N4 O6 -","- C432 H488 N32 O48 -","8","1","","Stibor, I.; Hursthouse, Michael B.; Light, Mark E.; Prokes, I.; Tucker, J. H. R.; Dudic, M.; Miyaji, H.; Lhotak, P. L.","5,17-bis((2-pyridyl)methylamido)-25,26,27,28-tetrakis(propoxy)calix(4)arene","Crystal Structure Report Archive","2001","","","68","","","","","0.71073","MoKα","","0.2027","0.0692","","","0.1389","0.1866","","","","","","0.942","","","","has coordinates","176729","2020-10-21","18:00:00","" "1519317","8.461","0.0006","8.461","0.0006","16.988","0.0006","90","","90","","120","","1053.21","0.11","150","2","150","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- C10 H10 Fe I3 -","- C12 H12 Fe I3 -","- C36 H36 Fe3 I9 -","3","0.166667","","Bricklebank, Neil; Gelbrich, Thomas; Hursthouse, Michael B.","C10H10FeI3","Crystal Structure Report Archive","2001","","","831","","","","","0.71069","MoKα","","0.0613","0.06","","","0.1485","0.1516","","","","","","1.022","","","","has coordinates","176729","2020-10-21","18:00:00","" "1519318","7.9266","0.0004","9.6531","0.0005","10.3243","0.0006","79.14","0.02","79.79","0.02","80.26","0.04","755.97","0.12","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","","","- C32 H32 N8 O8 -","- C32 H32 N8 O8 -","- C32 H32 N8 O8 -","1","0.5","","Fallis, Ian A.; Gelbrich, Thomas; Hursthouse, Michael B.","C32H32N8O8","Crystal Structure Report Archive","2001","","","833","","","","","0.71073","MoKα","","0.0772","0.042","","","0.081","0.0884","","","","","","1.069","","","","has coordinates","176729","2020-10-21","18:00:00","" "1519319","19.1002","0.0002","21.7245","0.0003","29.1929","0.0004","90","","90","","90","","12113.4","0.3","120","2","120","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C55 H60 Cl13 N O P2 Ru2 -","- C55 H60 Cl13 N O P2 Ru2 -","- C440 H480 Cl104 N8 O8 P16 Ru16 -","8","1","","Smith, Matin, B.; Gelbrich, Thomas; Hursthouse, Michael B.","C52H57NOP2Cl4Ru2 . 3CDCl3","Crystal Structure Report Archive","2001","","","835","","","","","0.71073","MoKα","","0.0838","0.049","","","0.0932","0.0995","","","","","","1.12","","","","has coordinates","176729","2020-10-21","18:00:00","" "1519320","12.8588","0.0002","10.7382","0.0002","23.1122","0.0004","90","","93.811","0.003","90","","3184.28","0.1","120","2","120","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C16 H22 N2 O2 S -","- C16 H22 N2 O2 S -","- C128 H176 N16 O16 S8 -","8","1","","Kilburn, J. D.; Hursthouse, Michael B.; Coles, Simon J.; Berry, M. B.; Patient, L.","3,5-Dimethyl-8-((p-toluenesulfonato)amino)-8-azabicyclo(3.2.1)oct-2-ene","Crystal Structure Report Archive","2001","","","87","","","","","0.71073","MoKα","","0.0492","0.0376","","","0.0928","0.0986","","","","","","1.055","","","","has coordinates","176729","2020-10-21","18:00:00","" "1519321","16.1733","0.0003","17.8443","0.0003","26.7","0.0005","77.52","0.003","77.237","0.003","83.124","0.003","7316.7","0.3","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","","","- C17.33 H40.67 Cl2.67 N O4 P -","- C17.3333 H40.6667 Cl2.66667 N O4 P -","- C208 H488 Cl32 N12 O48 P12 -","12","6","","Hursthouse, Michael B.; Gale, Phil A.; Camiolo, S.; Light, Mark E.","Tetra-n-butylammonium dihydrogenphosphate dichloromethane solvate","Crystal Structure Report Archive","2001","","","105","","","","","0.71073","MoKα","","0.2638","0.1694","","","0.4281","0.4813","","","","","","1.577","","","","has coordinates","176729","2020-10-21","18:00:00","" "1519322","7.5556","0.0003","8.0446","0.0003","22.9549","0.0008","90","","90","","90","","1395.24","0.09","150","2","150","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C15 H20 O4 -","- C15 H20 O4 -","- C60 H80 O16 -","4","1","","Hursthouse, Michael B.; Light, Mark E.","(2S*)-2-Hydroxy-2-((2S*,5R*)-5-(1-hydroxy-1-methylethyl)tetrahydrofuran-2-yl)- 1-phenylethanone","Crystal Structure Report Archive","2001","","","110","","","","","0.71073","MoKα","","0.0565","0.0507","","","0.1298","0.1368","","","","","","1.033","","","","has coordinates","176729","2020-10-21","18:00:00","" "1519323","11.839","0.002","8.0773","0.001","22.695","0.004","90","","91.84","0.03","90","","2169.1","0.6","150","2","150","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C23 H26 O8 -","- C23 H26 O8 -","- C92 H104 O32 -","4","1","","Hursthouse, Michael B.; Light, Mark E.","(1S*,4S*,5R*,8R*)-8-(3,4-Dimethoxyphenyl)-4-(3,4,5-trimethoxyphenyl)-3,7- dioxabicyclo(3.3.0)octan-2-one","Crystal Structure Report Archive","2001","","","113","","","","","0.71073","MoKα","","0.2721","0.0864","","","0.2145","0.3345","","","","","","0.811","","","","has coordinates","176729","2020-10-21","18:00:00","" "1519324","21.7299","0.0004","21.3998","0.0004","17.088","0.0004","90","","91.318","0.003","90","","7944.1","0.3","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H37 N O4 S -","- C16 H37 N O4 S -","- C256 H592 N16 O64 S16 -","16","4","","Hursthouse, Michael B.; Gale, Phil A.; Light, Mark E.","Tetrabutylammonium hydrogen sulfate","Crystal Structure Report Archive","2001","","","116","","","","","0.71073","MoKα","","0.1357","0.0735","","","0.2027","0.2369","","","","","","1.021","","","","has coordinates","176729","2020-10-21","18:00:00","" "1519325","23.8267","0.0004","12.9976","0.0003","22.1794","0.0005","90","","108.155","0.0012","90","","6526.8","0.2","120","2","120","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C64 H76 F N O12 Si8 -","- C64 H76 F N O12 Si8 -","- C256 H304 F4 N4 O48 Si32 -","4","0.5","","Light, Mark E.; Hursthouse, Michael B.; Taylor, P. G.; Pourny, M.; Bassindale, A. R.","Tetra-n-butylammonium octaphenyloctasilasesquioxane fluoride clathrate","Crystal Structure Report Archive","2001","","","128","","","","","0.71073","MoKα","","0.056","0.0397","","","0.105","0.1134","","","","","","1.032","","","","has coordinates","176729","2020-10-21","18:00:00","" "1519326","7.8231","0.0002","12.9445","0.0003","17.3686","0.0004","90","","95.668","0.001","90","","1750.25","0.07","180","2","180","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C36 H38 N2 O10 S -","- C36 H38 N2 O10 S -","- C72 H76 N4 O20 S2 -","2","1","","Light, Mark E.; Jimenez, J. L.; Hursthouse, Michael B.; Palacios, J. C.; Gordillo, R.; Clemente, F. R.; Cintas, P.; Babiano, R.; Avalos, M.","trans-3-(Tetra-O-acetyl-D-arabino-tetritol-1'-yl)-2-(2-phenyl-4-benzyl-1,3- dioxo-2,4-diazapentyl)-2-phenylthiirane","Crystal Structure Report Archive","2001","","","131","","","","","0.71073","MoKα","","0.0475","0.0418","","","0.1006","0.1037","","","","","","1.027","","","","has coordinates","176729","2020-10-21","18:00:00","" "1519327","7.4181","0.0001","16.6837","0.0003","27.9934","0.0005","90","","90","","90","","3464.5","0.1","120","2","120","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C21 H16 O9 -","- C21 H16 O9 -","- C168 H128 O72 -","8","1","","Light, Mark E.; Coles, Simon J.; Hursthouse, Michael B.; Subhash, P. V.; Moinuddin, S. G. A.; Kamakshi, C.; Venkateswarlu, R.; Ward, R. S.; Pelter, A.","Methyl 1,2-(acetoxy-C,O)-3-hydroxy-5,6-(methylenedioxy-O,O')-3- (3,4-methylenedioxyphenyl)indan-2-carboxylate","Crystal Structure Report Archive","2001","","","69","","","","","0.71073","MoKα","","0.1285","0.0501","","","0.0858","0.1049","","","","","","0.921","","","","has coordinates","176729","2020-10-21","18:00:00","" "1519328","14.1493","0.0004","17.3003","0.0006","17.434","0.0007","90","","90","","90","","4267.6","0.3","150","2","150","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C23 H24 O9 -","- C23 H24 O9 -","- C184 H192 O72 -","8","1","","Light, Mark E.; Coles, Simon J.; Hursthouse, Michael B.; Subhash, P. V.; Moinuddin, S. G. A.; Kamakshi, C.; Venkateswarlu, R.; Ward, R. S.; Pelter, A.","Methyl 1,2-(acetoxy-C,O)-3-hydroxy-5,6-dimethoxy-3-(3,4-dimethyloxyphenyl) indan-2-carboxylate","Crystal Structure Report Archive","2001","","","70","","","","","0.71073","MoKα","","0.0881","0.0468","","","0.1039","0.1213","","","","","","0.968","","","","has coordinates","176729","2020-10-21","18:00:00","" "1519329","9.911","0.002","29.932","0.006","9.907","0.002","90","","104.2","0.03","90","","2849.2","1.1","150","2","150","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C33 H25 F3 N O2 P Pd -","- C33 H25 F3 N O2 P Pd -","- C132 H100 F12 N4 O8 P4 Pd4 -","4","1","","Scordia, V. J. M.; Hursthouse, Michael B.; Gelbrich, Thomas; Coles, Simon J.; Cazin, C. S. J.; Bedford, R. B.","(2-(Phenyliminomethyl)phenyl)-(trifluoroacetato)-(triphenylphosphine)- palladium","Crystal Structure Report Archive","2001","","","73","","","","","0.71073","MoKα","","0.0493","0.0429","","","0.1154","0.1188","","","","","","1.098","","","","has coordinates","176729","2020-10-21","18:00:00","" "1519330","11.024","0.0006","12.5301","0.0008","21.163","0.0014","90","","96.56","0.002","90","","2904.1","0.3","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C28 H26 Cl2 Cu N4 O10 -","- C28 H26 Cl2 Cu N4 O10 -","- C112 H104 Cl8 Cu4 N16 O40 -","4","1","","Amoroso, Angelo; Gelbrich, Thomas; Hursthouse, Michael B.","C28H26Cl2CuN4O10","Crystal Structure Report Archive","2001","","","832","","","","","0.71073","MoKα","","0.0978","0.0626","","","0.1207","0.1285","","","","","","1.155","","","","has coordinates","176729","2020-10-21","18:00:00","" "1519331","9.489","0.0009","9.4925","0.0009","27.4534","0.0005","91.483","0.003","88.321","0.003","73.52","0.004","2368.7","0.3","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C30 H23 N3 O2 -","- C30 H23 N3 O2 -","- C120 H92 N12 O8 -","4","2","","Coles, Simon J.; Chapman, C. P.; Hursthouse, Michael B.; Light, Mark E.; Tizzard, G. J.; Camiolo, S.; Gale, Phil A.","N,N'-Diphenyl-3,4-diphenyl-1H-pyrrole-2,5-dicarboxamide","Crystal Structure Report Archive","2001","","","111","","","","","0.71073","MoKα","","0.1269","0.0622","","","0.1249","0.1625","","","","","","1.016","","","","has coordinates","176729","2020-10-21","18:00:00","" "1519332","16.438","0.0003","7.8238","0.0001","18.128","0.0003","90","","109.97","0.003","90","","2191.22","0.07","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C52 H44 N4 O6 S2 -","- C52 H44 N4 O6 S2 -","- C104 H88 N8 O12 S4 -","2","0.5","","Hursthouse, Michael B.; Light, Mark E.; Chapman, C. P.; Camiolo, S.; Gale, Phil A.","5,10-dioxo-N,N',1,2,6,7-hexaphenyl-5H,10H-dipyrrolo[1,2-a:1',2'-d]pyrazine-3, 8-dicarboxamide dimethylsulfoxide solvate","Crystal Structure Report Archive","2001","","","112","","","","","0.71073","MoKα","","0.1481","0.058","","","0.1088","0.1363","","","","","","0.947","","","","has coordinates","176729","2020-10-21","18:00:00","" "1519333","12.677","0.003","16.058","0.003","16.085","0.003","110.32","0.03","93.16","0.03","96.36","0.03","3036.3","1.3","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C66 H66 P4 Ru Si2 -","- C66 H66 P4 Ru Si2 -","- C132 H132 P8 Ru2 Si4 -","2","1","","Hursthouse, Michael B.; Light, Mark E.; Coles, Simon J.; Coe, B. J.; Brookes, N. J.; Anderson, J. N.","trans-bis(1,2-bis(Diphenylphosphino)ethane-Io2P,P')-bis(4-(trinethylsilyl) buta-1,3-diynyl)-ruthenium(ii)","Crystal Structure Report Archive","2001","","","133","","","","","0.71073","MoKα","","0.0753","0.046","","","0.1093","0.1216","","","","","","1.033","","","","has coordinates","176729","2020-10-21","18:00:00","" "1519334","21.2704","0.0008","7.5887","0.0002","11.2915","0.0003","90","","102.234","0.001","90","","1781.22","0.09","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H26 N2 O Si -","- C18 H26 N2 O Si -","- C72 H104 N8 O4 Si4 -","4","1","","Gelbrich, Thomas; Patient, Lee; Hursthouse, Michael B.; Kilburn, Jeremy D.","(3a-Methyl-1a-trimethylsilanyl-hexahydro-4,5-diaza-cyclopropa[c]pentalen-5-yl) -phenyl-methanone","Crystal Structure Report Archive","2001","","","532","","","","","0.71073","MoKα","","0.0889","0.049","","","0.1003","0.1115","","","","","","0.954","","","","has coordinates","176729","2020-10-21","18:00:00","" "1519335","10.4777","0.0004","10.9221","0.0003","19.7314","0.0008","97.151","0.0016","92.364","0.0015","97.763","0.0015","2216.06","0.14","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C47 H54 Cl2 Ir N2 O3 P -","- C47 H54 Cl2 Ir N2 O3 P -","- C94 H108 Cl4 Ir2 N4 O6 P2 -","2","1","","Smith, Martin B.; Light, Mark E.; Hursthouse, Michael B.","C45H45N2OPIr . 2CHCl3 . CH2Cl2 . 2Cl","Crystal Structure Report Archive","2001","","","723","","","","","0.71073","MoKα","","0.0965","0.0627","","","0.1282","0.1374","","","","","","1.004","","","","has coordinates","176729","2020-10-21","18:00:00","" "1519336","7.7318","0.0015","27.917","0.006","16.43","0.003","90","","102.48","0.03","90","","3462.6","1.3","150","2","150","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C21 H25 N O2 -","- C21 H25 N O2 -","- C168 H200 N8 O16 -","8","2","","Pelter, Andy; Coles, Simon J.; Hursthouse, Michael B.","C21H25NO2","Crystal Structure Report Archive","2001","","","779","","","","","0.71073","MoKα","","0.1774","0.1084","","","0.2424","0.2832","","","","","","1.015","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00","" "1519337","31.7811","0.001","4.5281","0.0001","14.8008","0.0006","90","","99.814","0.0011","90","","2098.78","0.12","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C19 H14 F4 I2 N4 O -","- C19 H14 F4 I2 N4 O -","- C76 H56 F16 I8 N16 O4 -","4","0.5","","Plater, John M. J.; Gelbrich, Thomas; Hursthouse, Michael B.","C19H14F4I2N4O","Crystal Structure Report Archive","2001","","","827","","","","","0.71073","MoKα","","0.0333","0.0288","","","0.0712","0.0737","","","","","","0.98","","","","has coordinates","176729","2020-10-21","18:00:00","" "1519338","5.0297","0.0001","10.2309","0.0004","11.1","0.0004","78.063","0.001","79.047","0.002","83.871","0.002","547.3","0.03","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C20 H14 F4 I2 N4 O2 -","- C20 H14 F4 I2 N4 O2 -","- C20 H14 F4 I2 N4 O2 -","1","0.5","","Plater, John M. J.; Gelbrich, Thomas; Hursthouse, Michael B.","C20H14F4N4I2O2","Crystal Structure Report Archive","2001","","","828","","","","","0.71073","MoKα","","0.0355","0.0341","","","0.0895","0.0909","","","","","","1.003","","","","has coordinates","176729","2020-10-21","18:00:00","" "1519339","25.1399","0.0009","4.5715","0.0001","25.8949","0.0012","90","","92.376","0.0015","90","","2973.47","0.19","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C25 H14 F8 I4 N4 O -","- C25 H14 F8 I4 N4 O -","- C100 H56 F32 I16 N16 O4 -","4","0.5","","Plater, John M. J.; Gelbrich, Thomas; Hursthouse, Michael B.","C13H14N4O . 2C4F4I","Crystal Structure Report Archive","2001","","","829","","","","","0.71073","MoKα","","0.0745","0.0392","","","0.0556","0.0606","","","","","","0.923","","","","has coordinates","176729","2020-10-21","18:00:00","" "1519340","9.9133","0.0002","11.0918","0.0004","11.8105","0.0004","83.123","0.001","66.048","0.0012","83.667","0.0012","1175.54","0.06","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C34 H24 Fe2 O2 -","- C34 H24 Fe2 O2 -","- C68 H48 Fe4 O4 -","2","1","","Butler, Ian. R.; Gelbrich, Thomas; Hursthouse, Michael B.","C34H24Fe2O2","Crystal Structure Report Archive","2001","","","830","","","","","0.71073","MoKα","","0.0615","0.0494","","","0.1079","0.1121","","","","","","1.002","","","","has coordinates","176729","2020-10-21","18:00:00","" "1519341","11.628","0.002","16.911","0.003","17.514","0.004","90","","94.92","0.03","90","","3431.3","1.2","150","2","150","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C16 H16 Cl N2 P Pd S -","- C16 H16 Cl N2 P Pd S -","- C128 H128 Cl8 N16 P8 Pd8 S8 -","8","2","","Smith, Martin B.; Coles, Simon J.; Hursthouse, Michael B.","C16H16ClN2PPdS","Crystal Structure Report Archive","2001","","","1024","","","","","0.71073","MoKα","","0.0456","0.0326","","","0.0739","0.0792","","","","","","1.026","","","","has coordinates","176729","2020-10-21","18:00:00","" "1519342","25.5294","0.0005","18.9718","0.0005","9.713","0.0002","90","","103.111","0.002","90","","4581.75","0.18","150","2","150","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C26 H31 N3 O2 -","- C26 H31 N3 O2 -","- C208 H248 N24 O16 -","8","2","","Coles, Simon J.; Chapman, C. P.; Light, Mark E.; Tizzard, G. J.; Camiolo, S.; Gale, Phil A.; Hursthouse, Michael B.","N,N'-Di-n-butyl-3,4-diphenyl-1H-pyrrole-2,5-dicarboxamide","Crystal Structure Report Archive","2001","","","114","","","","","0.71073","MoKα","","0.0709","0.0567","","","0.1438","0.1555","","","","","","1.082","","","","has coordinates","176729","2020-10-21","18:00:00","" "1519343","11.0425","0.0002","15.4028","0.0003","16.0274","0.0004","90","","90","","90","","2726.03","0.1","150","2","150","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C24 H24 F6 N2 O4 Pd2 -","- C24 H24 F6 N2 O4 Pd2 -","- C96 H96 F24 N8 O16 Pd8 -","4","1","","Light, Mark E.; Hursthouse, Michael B.; Gelbrich, Thomas; Horton, Peter N.; Coles, Simon J.; Cazin, C. S. J.; Bedford, R. B.","bis(I(1/4)2-Trifluoroacetato-O,O')-bis(2-((isopropylimino)methyl)phenyl-C,N) -di-palladium","Crystal Structure Report Archive","2001","","","126","","","","","0.71073","MoKα","","0.0343","0.0296","","","0.0671","0.0688","","","","","","1.053","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00","" "1519344","37.557","0.007","7.0816","0.0014","22.498","0.004","90","","124.86","0.03","90","","4910","2","150","2","150","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C29 H27 O8 -","- C29 H27 O8 -","- C232 H216 O64 -","8","1","","Warriner, C. N.; Hursthouse, Michael B.; Gale, Phil A.; Coles, Simon J.","Tetramethyl biphenyl-3,5,3',5'-tetracarboxylate benzene solvate","Crystal Structure Report Archive","2001","","","132","","","","","0.71073","MoKα","","0.0946","0.0527","","","0.122","0.1481","","","","","","1.011","","","","has coordinates","176729","2020-10-21","18:00:00","" "1519345","9.2463","0.0018","33.461","0.007","7.2285","0.0014","90","","90","","90","","2236.4","0.8","150","2","150","2","","","","","","","","4","I b a 2","I 2 -2c","45","","","","- C14 H13 N O -","- C14 H13 N O -","- C112 H104 N8 O8 -","8","1","","Donnio, B; Nguuyen, H. L.; Huck, D. M.; Hursthouse, Michael B.; Coles, Simon J.; Bruce, D. W.","4-Methoxy-2aE-stilbazole","Crystal Structure Report Archive","2001","","","134","","","","","0.71073","MoKα","","0.0722","0.0576","","","0.1372","0.1471","","","","","","1.022","","","","has coordinates","176729","2020-10-21","18:00:00","" "1519346","29.4892","0.0005","10.7143","0.0002","34.1321","0.0006","90","","97.653","0.004","90","","10688.2","0.3","150","2","150","2","","","","","","","","9","C 1 2/c 1","-C 2yc","15","","","","- C70 H74 Cl2 Cu3 F12 N4 O12 P6 S6 -","- C70 H74 Cl2 Cu3 F12 N4 O12 P6 S6 -","- C280 H296 Cl8 Cu12 F48 N16 O48 P24 S24 -","4","0.5","","Smith, Martin B.; Light, Mark E.; Hursthouse, Michael B.","C70H74Cl2Cu3N4O12P4S6 . 2PF6","Crystal Structure Report Archive","2001","","","724","","","","","0.71073","MoKα","","0.1439","0.0666","","","0.1451","0.1651","","","","","","0.871","","","","has coordinates","176729","2020-10-21","18:00:00","" "1519347","7.2689","0.0015","7.8204","0.0016","15.025","0.003","103.85","0.03","99.4","0.03","92.57","0.03","815","0.3","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C14 H19 F3 N2 O5 S -","- C14 H19 F3 N2 O5 S -","- C28 H38 F6 N4 O10 S2 -","2","1","","Jones, Ray; Coles, Simon J.; Hursthouse, Michael B.","C14H19F3N2O5S","Crystal Structure Report Archive","2001","","","778","","","","","0.71073","MoKα","","0.1347","0.0613","","","0.1305","0.1594","","","","","","0.96","","","","has coordinates","176729","2020-10-21","18:00:00","" "1519348","7.6905","0.0015","9.93","0.002","9.0526","0.0018","90","","97.07","0.03","90","","686.1","0.2","150","2","150","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C15 H17 N O4 -","- C15 H17 N O4 -","- C30 H34 N2 O8 -","2","1","","Littlechild, Jenny A.; Coles, Simon J.; Hursthouse, Michael B.","C15H17NO4","Crystal Structure Report Archive","2001","","","780","","","","","0.71073","MoKα","","0.0779","0.0626","","","0.1451","0.1562","","","","","","1.01","","","","has coordinates","176729","2020-10-21","18:00:00","" "1519349","9.725","0.003","14.576","0.004","8.545","0.004","93.58","0.03","90.85","0.04","103.34","0.02","1175.8","0.7","180","2","180","2","","","","","","","","5","P -1","-P 1","2","","","","- C21 H18 As2 N4 S4 -","- C21 H18 As2 N4 S4 -","- C42 H36 As4 N8 S8 -","2","1","","Davies, J. E.; Hursthouse, Michael B.; Coles, Simon J.; Joy, J. S.; Paver, M. A.","bis(bis(2-Pyridylthio)arsino)methane","Crystal Structure Report Archive","2001","","","82","","","","","0.71069","MoKα","","0.0752","0.0458","","","0.0918","0.1027","","","","","","1.016","","","","has coordinates","176729","2020-10-21","18:00:00","" "1519350","9.1615","0.0001","10.1143","0.0002","18.1371","0.0005","88.586","0.001","80.238","0.001","70.995","0.002","1565.16","0.06","150","2","150","2","","","","","","","","5","P 1","P 1","1","","","","- C18 H51 Na3 O15 Si3 -","- C18 H51 Na3 O15 Si3 -","- C36 H102 Na6 O30 Si6 -","2","2","","Taylor, Peter. G.; Gelbrich, Thomas; Hursthouse, Michael B.","C36H102Na6O30Si6","Crystal Structure Report Archive","2001","","","826","","","","","0.71073","MoKα","","0.0389","0.0338","","","0.0866","0.0895","","","","","","0.935","","","","has coordinates","183088","2020-10-21","18:00:00","" "1519351","21.0715","0.0003","8.1962","0.0001","35.2981","0.0007","90","","95.219","0.001","90","","6070.93","0.17","150","2","150","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C20 H17 Cl2 N2 P Pd S -","- C20 H17 Cl2 N2 P Pd S -","- C240 H204 Cl24 N24 P12 Pd12 S12 -","12","3","","Smith, Martin B.; Light, Mark E.; Hursthouse, Michael B.","C20H17Cl2N2PPdS","Crystal Structure Report Archive","2001","","","1014","","","","","0.71073","MoKα","","0.0835","0.0452","","","0.0883","0.0988","","","","","","0.98","","","","has coordinates","176729","2020-10-21","18:00:00","" "1519352","5.1549","0.0002","31.1802","0.0012","5.4853","0.0003","90","","90.609","0.002","90","","881.61","0.07","120","2","120","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C19 H26 Br N -","- C19 H26 Br N -","- C38 H52 Br2 N2 -","2","1","","Hii, Mimi K. K.; Horton, Peter N.; Hursthouse, Michael B.","C19H26NBr","Crystal Structure Report Archive","2001","","","1015","","","","","0.71073","MoKα","","0.0425","0.0389","","","0.0883","0.09","","","","","","1.063","","","","has coordinates","176729","2020-10-21","18:00:00","" "1519353","9.7364","0.0019","13.149","0.003","15.993","0.003","90.42","0.03","99.76","0.03","91.45","0.03","2017.1","0.7","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C20.25 H18.5 Cl1.5 N2 P Pd S -","- C20.25 H18.5 Cl1.5 N2 P Pd S -","- C81 H74 Cl6 N8 P4 Pd4 S4 -","4","2","","Smith, Martin B.; Coles, Simon J.; Hursthouse, Michael B.","C40H36Cl2N4P2Pd2S2 . 0.5(CH2Cl2)","Crystal Structure Report Archive","2001","","","1025","","","","","0.71073","MoKα","","0.1197","0.0548","","","0.1186","0.1394","","","","","","1.059","","","","has coordinates,has disorder","216710","2020-10-21","18:00:00","" "1519354","8.1662","0.0007","14.3524","0.0014","12.093","0.001","90","","109.59","0.004","90","","1335.3","0.2","120","2","120","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C16 H10 O8 -","- C16 H10 O8 -","- C64 H40 O32 -","4","1","","Hursthouse, Michael B.; Holmes, R.; Coles, Simon J.; Price, D. J.","Biphenyl-3,3',5,5'-tetracarboxylic acid","Crystal Structure Report Archive","2001","","","119","","","","","0.71073","MoKα","","0.1848","0.0669","","","0.1468","0.2034","","","","","","0.983","","","","has coordinates","176729","2020-10-21","18:00:00","" "1519355","9.2498","0.0018","9.7081","0.0019","17.738","0.004","93.62","0.03","90.61","0.03","104.26","0.03","1540.1","0.6","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C9 H15 Cl3 N2 Si Sn -","- C9 H15 Cl3 N2 Si Sn -","- C36 H60 Cl12 N8 Si4 Sn4 -","4","2","","Hursthouse, Michael B.; Coles, Simon J.; Steed, J. W.; Jones, C.; Coombs, D. L.; Calder, R. J.; Aldridge, Simon","Trichloro-(6-trimethylsilylamido-2-picolyl)-tin","Crystal Structure Report Archive","2001","","","127","","","","","0.71073","MoKα","","0.0386","0.0307","","","0.0769","0.0812","","","","","","0.98","","","","has coordinates","176729","2020-10-21","18:00:00","" "1519356","6.9597","0.0014","26.611","0.005","12.101","0.002","90","","105.14","0.03","90","","2163.4","0.8","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C22 H28 N4 O2 -","- C22 H28 N4 O2 -","- C88 H112 N16 O8 -","4","1","","Bradley, M.; Hursthouse, Michael B.; Russell, A.; Light, Mark E.; Mandair, G. S.","2-(4-Methoxycarbonylphenyl)-3-(2,4,4-trimethyl-2-pentylamino)imidazo(1,2-a) pyrimidine","Crystal Structure Report Archive","2001","","","129","","","","","0.71073","MoKα","","0.1413","0.065","","","0.1642","0.2106","","","","","","0.941","","","","has coordinates","176729","2020-10-21","18:00:00","" "1519357","12.6651","0.0005","13.6078","0.0007","12.3362","0.0005","90","","95.807","0.003","90","","2115.16","0.16","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H28 N4 O2 -","- C22 H28 N4 O2 -","- C88 H112 N16 O8 -","4","1","","Bradley, M.; Hursthouse, Michael B.; Russell, A.; Light, Mark E.; Mandair, G. S.","3-(4-Methoxycarbonylphenyl)-2-(2,4,4-trimethyl-2-pentylamino)imidazo-(1,2-a) pyrimidine","Crystal Structure Report Archive","2001","","","130","","","","","0.71073","MoKα","","0.0644","0.0443","","","0.1081","0.1216","","","","","","0.968","","","","has coordinates","176729","2020-10-21","18:00:00","" "1519358","14.291","0.003","11.709","0.002","13.341","0.003","90","","115.86","0.03","90","","2008.8","0.9","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C18 H28 N2 O2 S Si -","- C18 H28 N2 O2 S Si -","- C72 H112 N8 O8 S4 Si4 -","4","1","","Coles, Simon J.; Hursthouse, Michael B.; Berry, M. B.; Patient, L.; Kilburn, J. D.","1-Methyl-3-(methylidene)-7-((p-toluenesulfonato)amino)-4-(trimethylsilyl)-7- azabicyclo(2.2.1)heptane","Crystal Structure Report Archive","2001","","","85","","","","","0.71073","MoKα","","0.1251","0.0691","","","0.1625","0.1942","","","","","","1.01","","","","has coordinates","176729","2020-10-21","18:00:00","" "1519359","10.579","0.002","17.772","0.004","10.1254","0.0016","90","","93.545","0.006","90","","1900","0.6","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C44 H50 N2 O6 -","- C44 H50 N2 O6 -","- C88 H100 N4 O12 -","2","0.5","","Hursthouse, Michael B.; Coles, Simon J.; Desvergne, J. -P.; Bouas-Laurent, H.; Tucker, J. H. R.; McSkimming, G.; Light, Mark E.","4,13-bis(2-(9-Anthryloxy)ethyl)-4,13-diaza-[18]crown-6","Crystal Structure Report Archive","2001","","","91","","","","","0.71073","MoKα","","0.3258","0.0788","","","0.128","0.1988","","","","","","0.869","","","","has coordinates","176729","2020-10-21","18:00:00","" "1522263","3.8837","","3.90269","","27.293","","90","","90","","90","","413.677","","","","","","","","","","","","","4","A m m m","-A 2 2","65","","Pr Ba2 Cu4 O8","","- Ba2 Cu4 O8 Pr -","- Ba2 Cu4 O8 Pr -","- Ba4 Cu8 O16 Pr2 -","2","0.125","","Yamada, Y.; Ye, J.; Horii, S.; Matsushita, A.; Kubo, S.","Crystal structure in Pr Ba2 Cu4 O8 single crystals","Journal of Physics and Chemistry of Solids","2001","62","","191","194","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "1524075","10.5397","","10.5397","","10.5397","","90","","90","","90","","1170.81","","","","","","","","","","","","","3","P m -3 n","-P 4n 2 3","223","","Ba8 Ga16 Si30","","- Ba3.5 Ga15.9912 Si30.0088 -","- Ba8 Ga15.9912 Si30.0088 -","- Ba8 Ga15.9912 Si30.0088 -","1","0.0208333","","Blake, N.P.; Metiu, H.; Latturner, S.; Bryan, D.; Stucky, G.D.; Mollnitz, L.","Structure and stability of the clathrates Ba8 Ga16 Ge30, Sr8 Ga16 Ge30, Ba8 Ga16 Si30, and Ba8 In16 Sn30","Journal of Chemical Physics","2001","114","","10063","10074","","","","","","","","","","","","","","","","","","","","","","has coordinates","144736","2020-10-21","18:00:00","" "1525128","5.574","","5.541","","7.854","","90","","90","","90","","242.575","","","","","","","","","","","","","3","P b n m","-P 2c 2ab","62","","Sr (Ru O3)","","- O3 Ru0.5 Sr -","- O3 Ru Sr -","- O12 Ru4 Sr4 -","4","0.5","","Rama Rao, M.V.; Sornadurai, D.; Sathe, V.G.; Panigrahi, B.; Shripathi, T.","Electronic structure of A Ru O3 (A = Ca, Sr and Ba) compounds","Journal of Physics and Chemistry of Solids","2001","62","","797","806","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "1525540","8.5","","8.5","","20.926","","90","","90","","120","","1309.35","","","","","","","","","","","","","6","R -3 c :H","-R 3 2""c","167","","(Li0.5 Mn0.5) (Ti1.5 Cr0.5) (P O4)3","","- Cr0.5 Li0.5 Mn0.5 O12 P3 Ti1.5 -","- Cr0.5 Li0.5 Mn0.5 O12 P3 Ti1.5 -","- Cr3 Li3 Mn3 O72 P18 Ti9 -","6","0.166667","","Aatiq, A.; Delmas, C.; El Jazouli, A.","Structural and electrochemical study of Li0.5 Mn0.5 Ti1.5 Cr0.5 (P O4)3","Journal of Solid State Chemistry","2001","158","","169","174","","","","","","","","","","","","","","","","","","","","","","has coordinates","146549","2020-10-21","18:00:00","" "1525541","16.1239","","5.5626","","5.40262","","90","","90","","90","","484.565","","","","","","","","","","","","","4","I m a 2","I 2 -2a","46","","Sr2 Mn Ga O5","","- Ga Mn O5 Sr2 -","- Ga Mn O5 Sr2 -","- Ga4 Mn4 O20 Sr8 -","4","0.5","","Abakumov, A.M.; Rozova, M.G.; Lobanov, M.V.; Pavlyuk, B.P.; Ovtchenkov, E.A.; Vasil'ev, A.N.; Lebedev, O.I.; Antipov, E.V.; Ignatchik, O.L.; van Tendeloo, G.; Koksharov, Yu.A.","Synthesis, crystal structure and magnetic properties of a novel layered manganese oxide Sr2 Mn Ga O5+d","Journal of Solid State Chemistry","2001","160","","353","361","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "1525542","3.79962","","3.79962","","7.9201","","90","","90","","90","","114.343","","","","","","","","","","","","","4","P 4/m m m","-P 4 2","123","","Sr2 Mn Ga O5.47","","- Ga Mn O5.47 Sr2 -","- Ga Mn O5.47 Sr2 -","- Ga Mn O5.47 Sr2 -","1","0.0625","","Abakumov, A.M.; Rozova, M.G.; Koksharov, Yu.A.; Antipov, E.V.; Pavlyuk, B.P.; Ignatchik, O.L.; Lobanov, M.V.; Lebedev, O.I.; van Tendeloo, G.; Vasil'ev, A.N.; Ovtchenkov, E.A.","Synthesis, crystal structure and magnetic properties of a novel layered manganese oxide Sr2 Mn Ga O5+d","Journal of Solid State Chemistry","2001","160","","353","361","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "1525543","8.153","","8.153","","14.882","","90","","90","","90","","989.228","","","","","","","","","","","","","3","I 4/m c m","-I 4 2c","140","","Cs Sn2 Cl5","","- Cl5 Cs Sn2 -","- Cl5 Cs Sn2 -","- Cl20 Cs4 Sn8 -","4","0.125","","Abrahams, I.; Demetriou, D.Z.; Kroemer, R.T.; Taylor, H.; Motevalli, M.","Evidence for cluster orbital formation in Cs Sn2 X5 compounds (X=Cl, Br)","Journal of Solid State Chemistry","2001","160","","382","387","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "1525544","8.483","","8.483","","15.28","","90","","90","","90","","1099.57","","","","","","","","","","","","","3","I 4/m c m","-I 4 2c","140","","Cs Sn2 Br5","","- Br5 Cs Sn2 -","- Br5 Cs Sn2 -","- Br20 Cs4 Sn8 -","4","0.125","","Abrahams, I.; Demetriou, D.Z.; Motevalli, M.; Taylor, H.; Kroemer, R.T.","Evidence for cluster orbital formation in Cs Sn2 X5 compounds (X=Cl, Br)","Journal of Solid State Chemistry","2001","160","","382","387","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "1525551","3.812","","3.812","","11.9758","","90","","90","","90","","174.024","","","","","","","","","","","","","5","P 4/m m m","-P 4 2","123","","(In0.82 Cu0.18) Sr2 Y Cu2 O7","","- Cu2.18 In0.82 O7 Sr2 Y -","- Cu2.18 In0.82 O7 Sr2 Y -","- Cu2.18 In0.82 O7 Sr2 Y -","1","0.0625","","Afanas'eva, I.N.; Kuz'micheva, G.M.; Mitin, A.V.; Khlybov, E.P.","Crystal structure of In-based cuprates: (In, Cu) Sr2 Y Cu2 O6+d (1212), (In, Cu) (Sr, Ho)2 (Ho, Ce(4+))2 Cu2 O8+d (1222)","Physica C (Amsterdam)","2001","353","","307","315","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "1525554","6.757","","17.513","","7.737","","90","","94.18","","90","","913.125","","","","","","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","(Ba0.274 Sr1.838) (Al4 Si12 O32) O0.194 (H2 O)9.788","","- Al4 Ba0.274 H19.576 O41.982 Si12 Sr1.838 -","- Al4 Ba0.274 O41.982 Si12 Sr1.838 -","- Al4 Ba0.274 O41.982 Si12 Sr1.838 -","1","0.25","","Alberti, A.; Vezzalini, G.; Quartieri, S.; Bordiga, S.; Cruciani, G.","Rehydration mechanisms in zeolites: reversibility of T - O - T breaking and of tetrahedral cation migration in brewsterite","Microporous and Mesoporous Materials","2001","42","","277","287","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "1525557","13.7864","","6.4078","","16.9384","","90","","83.15","","90","","1485.67","","","","","","","","","","","","","5","P 1 2/n 1","-P 2yac","13","","K2.473 Nb2.844 Ti1.156 P2.5 O17","","- K2.473 Nb2.844 O17 P2.5 Ti1.156 -","- K2.473 Nb2.844 O17 P2.5 Ti1.156 -","- K9.892 Nb11.376 O68 P10 Ti4.624 -","4","1","","Alekseeva, O.A.; Sorokina, N.I.; Blomberg, M.K.; Verin, I.A.; Losevskaya, T.Yu.; Simonov, V.I.; Yanovskii, V.K.; Voronkova, V.I.","The crystal structure of K2.47 Nb2.85 Ti1.15 P2.5 O17","Kristallografiya","2001","46","","215","220","","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00","" "1525558","13.8","","6.412","","16.893","","90","","83.33","","90","","1484.67","","","","","","","","","","","","","5","P 1 2/n 1","-P 2yac","13","","K2.92 Nb2.576 Ti1.424 P2.5 O17","","- K2.92 Nb2.576 O17 P2.5 Ti1.424 -","- K2.92 Nb2.576 O17 P2.5 Ti1.424 -","- K11.68 Nb10.304 O68 P10 Ti5.696 -","4","1","","Alekseeva, O.A.; Sorokina, N.I.; Simonov, V.I.; Verin, I.A.; Yanovskii, V.K.; Losevskaya, T.Yu.; Voronkova, V.I.","Synthesis and X-ray diffraction study of K2.92 Nb2.58 Ti1.42 P2.5 O17 single crystals","Kristallografiya","2001","46","","816","822","","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00","" "1525559","5.4794","","5.4866","","7.7441","","90","","90","","90","","232.813","","","","","","","","","","","","","4","P b n m","-P 2c 2ab","62","","(La0.39 Pr0.61) (Ga O3)","","- Ga La0.39 O3 Pr0.61 -","- Ga La0.39 O3 Pr0.61 -","- Ga4 La1.56 O12 Pr2.44 -","4","0.5","","Aleksiyko, R.; Berkowski, M.; Vasylechko, L.O.; Byszewski, P.; Dabrowski, B.; Diduszko, R.; Fink-Finowicki, J.","Common features of gallium perovskites","Crystal Research and Technology","2001","36","","789","800","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "1525560","5.4642","","5.4899","","7.7272","","90","","90","","90","","231.8","","","","","","","","","","","","","4","P b n m","-P 2c 2ab","62","","(La0.19 Pr0.81) (Ga O3)","","- Ga La0.19 O3 Pr0.81 -","- Ga La0.19 O3 Pr0.81 -","- Ga4 La0.76 O12 Pr3.24 -","4","0.5","","Aleksiyko, R.; Vasylechko, L.O.; Berkowski, M.; Dabrowski, B.; Byszewski, P.; Diduszko, R.; Fink-Finowicki, J.","Common features of gallium perovskites","Crystal Research and Technology","2001","36","","789","800","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "1525561","5.52479","","5.49062","","7.77121","","90","","90","","90","","235.736","","","","","","","","","","","","","4","P b n m","-P 2c 2ab","62","","(La0.99 Sr0.01) (Ga O3)","","- Ga La0.99 O3 Sr0.01 -","- Ga La0.99 O3 Sr0.01 -","- Ga4 La3.96 O12 Sr0.04 -","4","0.5","","Aleksiyko, R.; Berkowski, M.; Diduszko, R.; Byszewski, P.; Fink-Finowicki, J.; Kowalska, E.","Growth and structure of strontium doped La Ga O3","Proceedings of SPIE","2001","4412","","50","54","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "1525562","5.5248","","5.49062","","7.7712","","90","","90","","90","","235.736","","","","","","","","","","","","","4","P b n m","-P 2c 2ab","62","","(La0.96 Sr0.04) (Ga O3)","","- Ga La0.96 O3 Sr0.04 -","- Ga La0.96 O3 Sr0.04 -","- Ga4 La3.84 O12 Sr0.16 -","4","0.5","","Aleksiyko, R.; Kowalska, E.; Berkowski, M.; Diduszko, R.; Fink-Finowicki, J.; Byszewski, P.","Growth and structure of strontium doped La Ga O3","Proceedings of SPIE","2001","4412","","50","54","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "1525563","5.52723","","5.4901","","7.77095","","90","","90","","90","","235.81","","","","","","","","","","","","","4","P b n m","-P 2c 2ab","62","","(La0.94 Sr0.06) (Ga O3)","","- Ga La0.94 O3 Sr0.06 -","- Ga La0.94 O3 Sr0.06 -","- Ga4 La3.76 O12 Sr0.24 -","4","0.5","","Aleksiyko, R.; Diduszko, R.; Fink-Finowicki, J.; Berkowski, M.; Byszewski, P.; Kowalska, E.","Growth and structure of strontium doped La Ga O3","Proceedings of SPIE","2001","4412","","50","54","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "1525564","5.52872","","5.48911","","7.77033","","90","","90","","90","","235.812","","","","","","","","","","","","","4","P b n m","-P 2c 2ab","62","","(La0.9 Sr0.1) (Ga O3)","","- Ga La0.9 O3 Sr0.1 -","- Ga La0.9 O3 Sr0.1 -","- Ga4 La3.6 O12 Sr0.4 -","4","0.5","","Aleksiyko, R.; Berkowski, M.; Fink-Finowicki, J.; Byszewski, P.; Diduszko, R.; Kowalska, E.","Growth and structure of strontium doped La Ga O3","Proceedings of SPIE","2001","4412","","50","54","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "1525565","5.52898","","5.48771","","7.77031","","90","","90","","90","","235.762","","","","","","","","","","","","","4","I b m m","-I 2c 2c","74","","(La0.88 Sr0.12) (Ga O3)","","- Ga La0.88 O3 Sr0.12 -","- Ga La0.88 O3 Sr0.12 -","- Ga4 La3.52 O12 Sr0.48 -","4","0.25","","Aleksiyko, R.; Berkowski, M.; Diduszko, R.; Fink-Finowicki, J.; Kowalska, E.; Byszewski, P.","Growth and structure of strontium doped La Ga O3","Proceedings of SPIE","2001","4412","","50","54","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "1525566","3.8584","","3.8697","","7.7738","","90","","90","","90","","116.069","","","","","","","","","","","","","4","P m m m","-P 2 2","47","","La0.683 (Ti0.95 Al0.05) O3","","- Al0.05 La0.683 O3 Ti0.95 -","- Al0.05 La0.683 O3 Ti0.95 -","- Al0.1 La1.366 O6 Ti1.9 -","2","0.25","","Ali, R.; Yoshioka, H.; Yoshimura, M.; Yashima, M.","Crystal structure refinement of La0.683 (Ti0.95 Al0.05) O3 perovskite by the Rietveld method","Journal of the American Ceramic Society","2001","84","","468","470","","","","","","","","","","","","","","","","","","","","","","has coordinates","146578","2020-10-21","18:00:00","" "1525575","9.3792","","6.3331","","7.6281","","90","","115.832","","90","","407.828","","","","","","","","","","","","","5","C 1 2/m 1","-C 2y","12","","Na Co2 (O H) (Mo O4)2 (H2 O)","","- Co2 H3 Mo2 Na O10 -","- Co2 Mo2 Na O10 -","- Co4 Mo4 Na2 O20 -","2","0.25","","Amparo Palacio, L.; Echavarria, A.; Saldarriaga, C.","Crystal structure of a cobalt molybdate type phix: Na Co2 O H (H2 O) (Mo O4)2","International Journal of Inorganic Materials","2001","3","","367","371","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "1525578","7.192","","12.902","","11.226","","90","","92.19","","90","","1040.91","","","","","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","((Np O2) (Cr O4)) (C O (N H2)2)2","","- C2 H8 Cr N4 Np O8 -","- C2 H8 Cr N4 Np O8 -","- C8 H32 Cr4 N16 Np4 O32 -","4","1","","Andreev, G.B.; Antipin, M.Yu.; Fedoseev, A.M.; Budantseva, N.A.","Synthesis and crystal structure of bis(urea) chromatoneptunyl Np O2 Cr O4 * 2(O C (N H2)2)","Kristallografiya","2001","46","","433","434","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "1525579","13.7862","","5.6555","","9.4204","","90","","102.509","","90","","717.053","","","","","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","Pb3 (P O4)2","","- O8 P2 Pb3 -","- O8 P2 Pb3 -","- O32 P8 Pb12 -","4","0.5","","Angel, R.J.; Bismayer, U.; Marshall, W.G.","Renormalization of the phase transition in lead phosphate, Pb3 (P O4)2, by high pressure: structure","Journal of Physics: Condensed Matter","2001","13","","5353","5364","","","","","","","","","","","","","","","","","","","","","","has coordinates","146596","2020-10-21","18:00:00","" "1525581","23.22","","23.22","","14.17","","90","","90","","90","","7640.02","","","","","","","","","","","","","3","F d d d :2","-F 2uv 2vw","70","","Cu Br Te","","- Br Cu Te -","- Br Cu Te -","- Br96 Cu96 Te96 -","96","3","","Arai, M.; Sakuma, T.","Crystal structure of beta-(Cu Br Te)","Journal of the Physical Society of Japan","2001","70","","144","147","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "1525583","13.118","","13.118","","3.862","","90","","90","","120","","575.544","","","","","","","","","","","","","4","P 6/m","-P 6","175","","K6 Ta6.5 O15 F7.56","","- F7.56 K6 O15 Ta6.5 -","- F7.56 K6 O15 Ta6.5 -","- F7.56 K6 O15 Ta6.5 -","1","0.0833333","","Arakcheeva, A.V.; Grinevich, V.V.; Mitin, A.V.; Shamrai, V.F.; Lubman, G.U.","Crystal structure and resistivity characteristics of new tantalum bronze K6 Ta6.5 O15+x F6+y","Kristallografiya","2001","46","","221","229","","","","","","","","","","","","","","","","","","","","","","has coordinates","146600","2020-10-21","18:00:00","" "1525596","8.15157","","8.15157","","8.15157","","89.881","","89.881","","89.881","","541.653","","","","","","","","","","","","","4","R 3 m :R","P 3* -2","160","","Pb2 (Sc Ta O6)","","- O6 Pb2 Sc Ta -","- O6 Pb2 Sc1.001 Ta1.001 -","- O6 Pb2 Sc1.001 Ta1.001 -","1","0.166667","","Baba-Kishi, K.Z.; Knight, K.; Woodward, P.M.","The crystal structures of Pb2 Sc Ta O6 and Pb2 Sc Nb O6 in the paraelectric and ferroelectric states","Ferroelectrics","2001","261","","21","26","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "1525598","20.462","","20.462","","3.89184","","90","","90","","120","","1411.18","","","","","","","","","","","","","3","P 63/m","-P 6c","176","","","","- Ce20 Ni42 P30 -","- Ce20 Ni42 P30 -","- Ce20 Ni42 P30 -","1","0.0833333","","Babizhet'sky, V.S.; Weitzer, F.; Hiebl, K.","Structural chemistry, magnetic and electrical properties of ternary rare-earth nickel phosphides, R20 Ni42 P30 (R = Ce, Sm)","Journal of Alloys Compd.","2001","317","","250","253","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00","" "1525599","3.77269","","9.2389","","10.4335","","90","","90","","90","","363.665","","","","","","","","","","","","","3","P m n 21","P 2ac -2","31","","Pr2 Ni7 P4","","- Ni7 P4 Pr2 -","- Ni7 P4 Pr2 -","- Ni14 P8 Pr4 -","2","0.5","","Babizhet'sky, V.S.; Weitzer, F.; Hiebl, K.","Structural chemistry, magnetic and electrical properties of ternary rare earth - nickel - phosphides, R2 Ni7 P4 (R = Ce, Pr, Nd)","Journal of Alloys Compd.","2001","323","","498","503","","","","","","","","","","","","","","","","","","","","","","has coordinates","146617","2020-10-21","18:00:00","" "1525600","24.732","","24.732","","24.732","","90","","90","","90","","15127.9","","","","","","","","","","","","","5","F d -3 m :2","-F 4vw 2vw 3","227","","Mn28 Cs36 (Al92 Si100 O384)","","- Al92 Cs36 Mn28 O384 Si100 -","- Al92.0064 Cs35.9952 Mn28 O384 Si99.9936 -","- Al92.0064 Cs35.9952 Mn28 O384 Si99.9936 -","1","0.00520833","","Bae, M.N.; Song, M.K.; Kim, Y.","Two anhydrous zeolite X crystal structures, Mn28 Cs36 - X and Mn21.5 Rb49 - X","Bulletin of the Korean Chemical Society","2001","22","","1081","1088","","","","","","","","","","","","","","","","","","","","","","has coordinates","146619","2020-10-21","18:00:00","" "1525601","24.742","","24.742","","24.742","","90","","90","","90","","15146.2","","","","","","","","","","","","","5","F d -3 :2","-F 2uv 2vw 3","203","","Mn21.5 Rb49 (Al92 Si100 O384)","","- Al92 Mn21.5 O384 Rb49 Si100 -","- Al91.9968 Mn21.4992 O384 Rb49 Si100.003 -","- Al91.9968 Mn21.4992 O384 Rb49 Si100.003 -","1","0.0104167","","Bae, M.N.; Song, M.K.; Kim, Y.","Two anhydrous zeolite X crystal structures, Mn28 Cs36 - X and Mn21.5 Rb49 - X","Bulletin of the Korean Chemical Society","2001","22","","1081","1088","","","","","","","","","","","","","","","","","","","","","","has coordinates","146620","2020-10-21","18:00:00","" "1525605","15.123","","7.75","","7.776","","90","","90","","90","","911.372","","","","","","","","","","","","","5","C m c a","-C 2ac 2","64","","Rb2 (Pd (N O2)2 Cl2)","","- Cl2 N2 O4 Pd Rb2 -","- Cl2 N2 O4 Pd Rb2 -","- Cl8 N8 O16 Pd4 Rb8 -","4","","","Baidina, I.A.; Vasil'ev, A.D.; Khranenko, S.P.; Gromilov, S.A.; Belyaev, A.V.","Synthesis and crystal structure of trans-(Rb2 (Pd (N O2)2 Cl2)). Structure refinement of Na2 (Pd (N O2)4)","Zhurnal Strukturnoi Khimii (Issue-No. from 1981)","2001","42","","145","150","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "1525606","15.431","","4.606","","11.208","","90","","90","","90","","796.611","","","","","","","","","","","","","4","P n a 21","P 2c -2n","33","","Na2 (Pd (N O2)4)","","- N4 Na2 O8 Pd -","- N4 Na2 O8 Pd -","- N16 Na8 O32 Pd4 -","4","1","","Baidina, I.A.; Gromilov, S.A.; Khranenko, S.P.; Vasil'ev, A.D.; Belyaev, A.V.","Synthesis and crystal structure of trans-(Rb2 (Pd (N O2)2 Cl2)). Structure refinement of Na2 (Pd (N O2)4)","Zhurnal Strukturnoi Khimii (Issue-No. from 1981)","2001","42","","145","150","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "1525607","5.44805","","7.67918","","5.43869","","90","","90","","90","","227.536","","","","","","","","","","","","","5","P n m a","-P 2ac 2n","62","","(La0.25 Pr0.75)0.7 Ca0.3 (Mn O3)","","- Ca0.3 La0.175 Mn O3 Pr0.525 -","- Ca0.3 La0.175 Mn O3 Pr0.525 -","- Ca1.2 La0.7 Mn4 O12 Pr2.1 -","4","0.5","","Balagurov, A.M.; Pomjakushin, V.Yu.; Sheptyakov, D.V.; Aksenov, V.L.; Belova, L.M.; Babushkina, N.A.; Kaul, A.R.; Gorbenko, O.Yu.","Evolution of (La1-y Pry)0.7 Ca0.3 Mn O3 crystal structure with A-cation size, temperature, and oxygen isotope substitution","The European Physical Journal B","2001","19","","215","223","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "1525608","11.065","","8.078","","11.451","","90","","89.98","","90","","1023.53","","","","","","","","","","","","","3","C 1 2/m 1","-C 2y","12","","Ni3 Bi2 S2","","- Bi2 Ni3 S2 -","- Bi2 Ni3 S2 -","- Bi16 Ni24 S16 -","8","1","","Baranov, A.I.; Olenev, A.V.; Popovkin, B.A.","Crystal and electronic structure of Ni3 Bi2 S2 (parkerite)","Izvestiya Akad. Nauk, Seriya Khimicheskaya","2001","50","","337","342","","","","","","","","","","","","","","","","","","","","","","has coordinates","146627","2020-10-21","18:00:00","" "1525609","14.362","","14.362","","9.604","","90","","90","","120","","1715.59","","","","","","","","","","","","","3","P 32","P 32","145","","Li2 (Mo O4)","","- Li2 Mo O4 -","- Li2 Mo O4 -","- Li36 Mo18 O72 -","18","6","","Barinova, A.V.; Rastsvetaeva, R.K.; Nekrasov, Yu.V.; Pushcharovskii, D.Yu.","Crystal structure of Li2 Mo O4","Doklady Akad. Nauk","2001","376","","343","346","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "1525610","10.216","","10.216","","20.2449","","90","","90","","90","","2112.89","","","","","","","","","","","","","3","I 4","I 4","79","","","","- Ba1.114 Mo8 O16 -","- Ba1.11429 Mo8 O16 -","- Ba7.8 Mo56 O112 -","7","0.875","","Barrier, N.; Gougeon, P.; Retoux, R.","Synthesis, crystal structure and TEM study of the new hollandite - type Ba8/7 Mo8 O16","Journal of Alloys Compd.","2001","317","","120","126","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00","" "1525611","10.4636","","10.4636","","10.4636","","90","","90","","90","","1145.63","","","","","","","","","","","","","4","F d -3 m :2","-F 4vw 2vw 3","227","","(H2 O) (V2 F6)","","- F6 H2 O V2 -","- F6 O V2 -","- F48 O8 V16 -","8","0.0416667","","Barthelet, K.; Marrot, J.; Riou, D.; Ferey, G.","(H2 O) (V(III)2 F6) and Pyr-(V F3): hydrothermal synthesis, structure determination and magnetic characterization of new fluorides with the pyrochlore type","Journal of Solid State Chemistry","2001","162","","266","269","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "1525616","7.0834","","7.8935","","9.092","","91.741","","105.11","","92.214","","489.986","","","","","","","","","","","","","4","P -1","-P 1","2","","Rb2 ((U O2)3 (I O3)4 O2)","","- I4 O20 Rb2 U3 -","- I4 O20 Rb2 U3 -","- I4 O20 Rb2 U3 -","1","0.5","","Bean, A.C.; Albrecht-Schmitt, T.E.","Cation effects on the formation of the one-dimensional uranyl iodates A2 ((U O2)3 (I O3)4 O2) (A = K, rb, Tl) and AE ((U O2)2 (I O3)2 O2) (H2 O) (AE = Sr, Ba, Pb)","Journal of Solid State Chemistry","2001","161","","416","423","","","","","","","","","","","","","","","","","","","","","","has coordinates","146644","2020-10-21","18:00:00","" "1525617","7.0602","","7.9475","","9.0175","","91.867","","105.595","","91.577","","486.749","","","","","","","","","","","","","4","P -1","-P 1","2","","Tl2 ((U O2)3 (I O3)4 O2)","","- I4 O20 Tl2 U3 -","- I4 O20 Tl2 U3 -","- I4 O20 Tl2 U3 -","1","0.5","","Bean, A.C.; Albrecht-Schmitt, T.E.","Cation effects on the formation of the one-dimensional uranyl iodates A2 ((U O2)3 (I O3)4 O2) (A = K, rb, Tl) and AE ((U O2)2 (I O3)2 O2) (H2 O) (AE = Sr, Ba, Pb)","Journal of Solid State Chemistry","2001","161","","416","423","","","","","","","","","","","","","","","","","","","","","","has coordinates","146645","2020-10-21","18:00:00","" "1525618","7.814","","6.9425","","21.434","","90","","99.324","","90","","1147.4","","","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Sr ((U O2)2 (I O3)2 O2) (H2 O)","","- H2 I2 O13 Sr U2 -","- I2 O13 Sr U2 -","- I8 O52 Sr4 U8 -","4","1","","Bean, A.C.; Albrecht-Schmitt, T.E.","Cation effects on the formation of the one-dimensional uranyl iodates A2 ((U O2)3 (I O3)4 O2) (A = K, rb, Tl) and AE ((U O2)2 (I O3)2 O2) (H2 O) (AE = Sr, Ba, Pb)","Journal of Solid State Chemistry","2001","161","","416","423","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "1525619","7.8441","","6.9328","","21.34","","90","","99.062","","90","","1146.02","","","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Pb ((U O2)2 (I O3)2 O2) (H2 O)","","- H2 I2 O13 Pb U2 -","- I2 O13 Pb U2 -","- I8 O52 Pb4 U8 -","4","1","","Bean, A.C.; Albrecht-Schmitt, T.E.","Cation effects on the formation of the one-dimensional uranyl iodates A2 ((U O2)3 (I O3)4 O2) (A = K, rb, Tl) and AE ((U O2)2 (I O3)2 O2) (H2 O) (AE = Sr, Ba, Pb)","Journal of Solid State Chemistry","2001","161","","416","423","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "1525620","12.7759","","4.9497","","5.4704","","90","","97.049","","90","","343.316","","","","","","","","","","","","","2","C 1 2/c 1","-C 2yc","15","","Pd5 B2","","- B2 Pd5 -","- B2 Pd5 -","- B8 Pd20 -","4","0.5","","Beck, M.; Mittemeijer, E.J.; Ellner, M.","Powder diffraction data for borides Pd3 B and Pd5 B2 and the formation of an amorphous boride Pd2 B","Powder Diffraction","2001","16","","98","101","","","","","","","","","","","","","","","","","","","","","","has coordinates","146648","2020-10-21","18:00:00","" "1525621","3.9299","","3.9299","","4.1239","","90","","90","","90","","63.69","","","","","","","","","","","","","4","P 4 m m","P 4 -2","99","","Pb (Hf0.2 Ti0.8) O3","","- Hf0.2 O3 Pb Ti0.8 -","- Hf0.2 O3 Pb Ti0.8 -","- Hf0.2 O3 Pb Ti0.8 -","1","0.125","","Bedoya, C.; Muller, C.; Baudour, J.L.; Soubeyroux, J.L.; Bouree, F.; Roubin, M.","Ferroelectric - paraelectric phase transition in Pb Hf0.2 Ti0.8 O3 studied by neutron powder diffraction","Journal of Physics: Condensed Matter","2001","13","","6453","6470","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "1525624","17.099","","22.337","","5.5699","","90","","90.935","","90","","2127.09","","","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(Bi1.1 Sb0.9) (Mo O6)","","- Bi1.1 Mo O6 Sb0.9 -","- Bi1.1 Mo O6 Sb0.9 -","- Bi17.6 Mo16 O96 Sb14.4 -","16","4","","Begue, P.; Castro, A.; Enjalbert, R.","The upper limit of the solid solution Bi2-x Sbx Mo O6 : structure refinement of Bi1.1 Sb0.9 Mo O6","Journal of Solid State Chemistry","2001","159","","72","79","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "1525628","8.6885","","8.2442","","7.1303","","90","","104.351","","90","","494.804","","","","","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Li Ga3 F3 (O H) (P O4)2 (H2 O)2","","- F3 Ga3 H5 Li O11 P2 -","- F3 Ga3 Li O11 P2 -","- F6 Ga6 Li2 O22 P4 -","2","0.5","","Beitone, L.; Marrot, J.; Ferey, G.; Lorentz, C.; Loiseau, T.; Taulelle, F.","Hydrothermal synthesis and structure determination of the first three-dimensional oxyfluorinated gallium phosphate incorporating lithium","Solid State Sciences","2001","3","","641","647","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "1525631","3.82","","3.82","","7.84","","90","","90","","90","","114.404","","","","","","","","","","","","","2","P 4/n m m :2","-P 4a 2a","129","","","","- Ho S1.885 -","- Ho S1.8864 -","- Ho2 S3.7728 -","2","0.125","","Belaya, S.V.; Vasil'eva, I.G.; Podberezskaya, N.V.; Pervukhina, N.V.; Eliseev, A.P.","Holmium polysulfides: crystal growth, structure and properties","Journal of Alloys Compd.","2001","323","","26","33","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00","" "1525632","10.961","","11.465","","10.984","","90","","90","","90","","1380.34","","","","","","","","","","","","","2","P 1 21/m 1","-P 2yb","11","","","","- Ho S1.863 -","- Ho S1.86267 -","- Ho24 S44.704 -","24","6","","Belaya, S.V.; Vasil'eva, I.G.; Pervukhina, N.V.; Podberezskaya, N.V.; Eliseev, A.P.","Holmium polysulfides: crystal growth, structure and properties","Journal of Alloys Compd.","2001","323","","26","33","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00","" "1525633","10.6102","","10.6102","","19.7135","","90","","90","","120","","1921.95","","","","","","","","","","","","","4","R -3 m :H","-R 3 2""","166","","Sr9 Fe1.5 (P O4)7","","- Fe1.5 O28 P7 Sr9 -","- Fe1.5 O27.9996 P7 Sr9 -","- Fe4.5 O83.9988 P21 Sr27 -","3","0.0833333","","Belik, A.A.; Leonidov, I.A.; Lazoryak, B.I.; Pokholok, K.V.; Mitberg, E.; Terekhina, T.P.; Karelina, V.V.; Kellerman, D.G.","Synthesis and characterization of new strontium iron(II) phosphates, Sr Fe2 (P O4)2 and Sr9 Fe1.5 (P O4)7","Journal of Solid State Chemistry","2001","162","","113","121","","","","","","","","","","","","","","","","","","","","","","has coordinates","146661","2020-10-21","18:00:00","" "1525666","10.4974","","10.4974","","6.4309","","90","","90","","120","","613.714","","","","","","","","","","","","","7","P 63 m c","P 6c -2c","186","","(Na2.23 Ca0.49 Ce0.09) (Ca0.95 Ce0.69 Sr0.55 Ba0.50 Na0.44) (C O3)5","","- C5 Ba0.5 Ca1.44 Ce0.78 Na2.67 O15 Sr0.55 -","- C5 Ba0.501 Ca1.437 Ce0.78 Na2.667 O15 Sr0.549 -","- C10 Ba1.002 Ca2.874 Ce1.56 Na5.334 O30 Sr1.098 -","2","0.166667","","Belovitskaya, Yu.V.; Pekov, I.V.; Gobechiya, E.R.; Kabalov, Yu.K.; Subbotin, V.V.","Crystal structure of calcioburbankite and the characteristic features of the burbankite structural type","Kristallografiya","2001","46","","1009","1013","","","","","","","","","","","","","","","","","","","","","","has coordinates","146694","2020-10-21","18:00:00","" "1525667","8.084","","18.484","","16.939","","90","","91.44","","90","","2530.3","","","","","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","(C (N H2)3)2 (Cu Cl4) (H2 O)","","- C2 H14 Cl4 Cu N6 O -","- C2 Cl4 Cu N6 O -","- C16 Cl32 Cu8 N48 O8 -","8","2","","Bel'skii, V.K.; Fernandez, V.; Zavodnik, V.E.; Diaz, I.; Martinez, J.L.","Crystal structure and thermochromism of bis(guanidinium) tetrachlorocuprate hydrate at 123 and 293 K","Kristallografiya","2001","46","","853","859","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "1525668","5.434","","10.14","","12.298","","90","","100.43","","90","","666.433","","","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Cd Ba2 (H P O4)2 (H2 P O4)2","","- Ba2 Cd H6 O16 P4 -","- Ba2 Cd H6 O16 P4 -","- Ba4 Cd2 H12 O32 P8 -","2","0.5","","Ben Taher, L.; Bulou, A.; Smiri, L.","Investigation of mixed divalent cation monophosphates: synthesis, crystal structure and vibrational study of Cd Ba2 (H P O4)2 (H2 P O4)2","Journal of Solid State Chemistry","2001","161","","97","105","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "1525671","17.9571","","3.4693","","8.7166","","90","","105.144","","90","","524.173","","","","","","","","","","","","","4","C 1 2/m 1","-C 2y","12","","Tl Cr5 Se2 S6","","- Cr5 S6 Se2 Tl -","- Cr5 S5.928 Se2.072 Tl -","- Cr10 S11.856 Se4.144 Tl2 -","2","0.25","","Bensch, W.; Sander, B.; Kremer, R.K.; Kockelmann, W.","Unexpected spin-glass behavior of the mixed sulfide-selenide chalcogenides Tl Cr5 S8-y Sey (y=1-7) mediated by the nonmagnetic sublattice","Journal of Solid State Chemistry","2001","158","","198","207","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "1525672","6.84993","","6.84993","","16.1205","","90","","90","","120","","655.06","","","","","","","","","","","","","3","R 3 c :H","R 3 -2""c","161","","Cs (Pb F3)","","- Cs F3 Pb -","- Cs F3 Pb -","- Cs6 F18 Pb6 -","6","0.333333","","Berastegui, P.; Eriksson, S.G.; Hull, S.","A low-temperature structural phase transition in Cs Pb F3","Journal of Physics: Condensed Matter","2001","13","","5077","5088","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "1525673","4.7748","","4.7748","","4.7748","","90","","90","","90","","108.859","","","","","","","","","","","","","3","P m -3 m","-P 4 2 3","221","","Cs (Pb F3)","","- Cs F3 Pb -","- Cs F3 Pb -","- Cs F3 Pb -","1","0.0208333","","Berastegui, P.; Hull, S.; Eriksson, S.G.","A low-temperature structural phase transition in Cs Pb F3","Journal of Physics: Condensed Matter","2001","13","","5077","5088","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "1525676","11.303","","3.61095","","4.7525","","90","","90","","90","","193.971","","","","","","","","","","","","","3","P m m n :2","-P 2ab 2a","59","","Na (V2 O5)","","- Na O5 V2 -","- Na O5 V2 -","- Na2 O10 V4 -","2","0.25","","Bernert, A.; Chatterji, T.; Thalmeier, P.; Fulde, P.","Structure determination, valence and superexchange in the dimerized low temperature phase of alpha'-(Na V2 O5)","The European Physical Journal B","2001","21","","535","546","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "1525677","22.606","","7.2219","","19.01","","90","","90","","90","","3103.54","","","","","","","","","","","","","3","F m m 2","F 2 -2","42","","Na (V2 O5)","","- Na O5 V2 -","- Na O5 V2 -","- Na32 O160 V64 -","32","2","","Bernert, A.; Fulde, P.; Chatterji, T.; Thalmeier, P.","Structure determination, valence and superexchange in the dimerized low temperature phase of alpha'-(Na V2 O5)","The European Physical Journal B","2001","21","","535","546","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "1525678","4.0361","","4.0361","","13.5921","","90","","90","","90","","221.417","","","","","","","","","","","","","3","I 4/m m m","-I 4 2","139","","K2 (Mg D4)","","- D4 K2 Mg -","- D4 K2 Mg -","- D8 K4 Mg2 -","2","0.0625","","Bertheville, B.; Herrmannsdoerfer, T.; Yvon, K.","Structure data for K2 Mg H4 and Rb2 Ca H4 and comparison with hydride and fluoride analogues","Journal of Alloys Compd.","2001","325","","13","16","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "1525679","4.4976","","4.4976","","14.8294","","90","","90","","90","","299.975","","","","","","","","","","","","","3","I 4/m m m","-I 4 2","139","","Rb2 (Ca D4)","","- Ca D4 Rb2 -","- Ca D4 Rb2 -","- Ca2 D8 Rb4 -","2","0.0625","","Bertheville, B.; Herrmannsdoerfer, T.; Yvon, K.","Structure data for K2 Mg H4 and Rb2 Ca H4 and comparison with hydride and fluoride analogues","Journal of Alloys Compd.","2001","325","","13","16","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "1525683","7.8","","7.8","","5","","90","","90","","90","","304.2","","","","","","","","","","","","","10","P -4 21 m","P -4 2ab","113","","(Ca1.85 Na0.14 Pb0.01) (Zn0.85 Al0.07 Mg0.03 Mn0.04 Fe0.02) (Si2 O7)","","- Al0.07 Ca1.85 Fe0.02 Mg0.03 Mn0.04 Na0.14 O7 Pb0.01 Si2 Zn0.85 -","- Al0.07 Ca1.85 Fe0.02 Mg0.03 Mn0.04 Na0.14 O7 Pb0.01 Si2 Zn0.85 -","- Al0.14 Ca3.7 Fe0.04 Mg0.06 Mn0.08 Na0.28 O14 Pb0.02 Si4 Zn1.7 -","2","0.25","","Bindi, L.; Roethlisberger, F.; Czank, M.; Bonazzi, P.","Hardystonite from Franklin Furnace: a natural modulated melilite","American Mineralogist","2001","86","","747","751","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "1525684","10.7319","","10.7319","","3.8674","","90","","90","","90","","445.423","","","","","","","","","","","","","5","P 4/m","-P 4","83","","(La6.4 Ca1.6) Cu6 Ni2 O20","","- Ca1.6 Cu6 La6.4 Ni2 O20 -","- Ca1.6 Cu6 La6.4 Ni2 O20 -","- Ca1.6 Cu6 La6.4 Ni2 O20 -","1","0.125","","Binsted, N.; Fjellvåg, H.; Owens, C.; Stange, M.; Weller, M. T.","Application of combined EXAFS and powder diffraction analysis in solid state chemistry","Journal of Synchrotron Radiation","2001","8","2","305","307","10.1107/S0909049500020276","","","","","","","","","","","","","","","","","","","","","has coordinates","174862","2020-10-21","18:00:00","" "1525686","10.793","","10.793","","10.793","","90","","90","","90","","1257.26","","","","","","","","","","","","","3","P m -3 n","-P 4n 2 3","223","","","","- Ba8 Ga16 Ge30 -","- Ba8 Ga16 Ge30 -","- Ba8 Ga16 Ge30 -","1","0.0208333","","Blake, N.P.; Bryan, D.; Metiu, H.; Mollnitz, L.; Stucky, G.D.; Latturner, S.","Structure and stability of the clathrates Ba8 Ga16 Ge30, Sr8 Ga16 Ge30, Ba8 Ga16 Si30, and Ba8 In16 Sn30","Journal of Chemical Physics","2001","114","","10063","10074","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00","" "1525687","10.7418","","10.7418","","10.7418","","90","","90","","90","","1239.46","","","","","","","","","","","","","3","P m -3 n","-P 4n 2 3","223","","Sr8 Ga16 Ge30","","- Ga16 Ge30 Sr8 -","- Ga16 Ge30 Sr8 -","- Ga16 Ge30 Sr8 -","1","0.0208333","","Blake, N.P.; Stucky, G.D.; Latturner, S.; Bryan, D.; Mollnitz, L.; Metiu, H.","Structure and stability of the clathrates Ba8 Ga16 Ge30, Sr8 Ga16 Ge30, Ba8 Ga16 Si30, and Ba8 In16 Sn30","Journal of Chemical Physics","2001","114","","10063","10074","","","","","","","","","","","","","","","","","","","","","","has coordinates","146718","2020-10-21","18:00:00","" "1525695","6.5","","6.514","","9.49","","90","","90.4","","90","","401.806","","","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","(N H4)3 (Sc F6)","","- F6 H8 N3 Sc -","- F6 H12 N3 Sc -","- F12 H24 N6 Sc2 -","2","0.5","","Boehmer, N.; Meyer, G.","Die Einwirkung von Ammoniumfluorid auf Scandium: Synthese und Kristallstrukturen von (N H4)3 (Sc F6) und (Cu (N H3)4)3 (Sc F6)2","Zeitschrift fuer Anorganische und Allgemeine Chemie","2001","627","","1248","1252","","","","","","","","","","","","","","","","","","","","","","has coordinates","186594","2020-10-21","18:00:00","" "1525696","8.211","","8.212","","8.227","","90.04","","90","","90.16","","554.734","","","","","","","","","","","","","5","P -1","-P 1","2","","(Cu (N H3)4)3 (Sc F6)2","","- Cu3 F12 H36 N12 Sc2 -","- Cu3 F12 H36 N12 Sc2 -","- Cu3 F12 H36 N12 Sc2 -","1","0.5","","Boehmer, N.; Meyer, G.","Die Einwirkung von Ammoniumfluorid auf Scandium: Synthese und Kristallstrukturen von (N H4)3 (Sc F6) und (Cu (N H3)4)3 (Sc F6)2","Zeitschrift fuer Anorganische und Allgemeine Chemie","2001","627","","1248","1252","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "1525698","4.1528","","4.1528","","4.1528","","90","","90","","90","","71.618","","","","","","","","","","","","","2","P m -3 m","-P 4 2 3","221","","La0.987 B6","","- B6 La0.987 -","- B6 La0.987 -","- B6 La0.987 -","1","0.0208333","","Booth, H.; Fisk, Z.; Hundley, M.F.; Sarrao, J.L.; Lawrence, J.M.; Cornelius, A.L.; Bianchi, A.; Kwei, G.H.","Local and average crystal structure and displacements of La (11)B6 and Eu B6 as a function of temperature","Physical Review, Serie 3. B - Condensed Matter (18,1978-)","2001","63","","2243021","2243028","","","","","","","","","","","","","","","","","","","","","","has coordinates","146730","2020-10-21","18:00:00","" "1525699","6.1811","","6.1811","","29.845","","90","","90","","120","","987.492","","","","","","","","","","","","","4","R -3 m :H","-R 3 2""","166","","Cs2 Na (Al F6)","","- Al Cs2 F6 Na -","- Al Cs2 F6 Na -","- Al6 Cs12 F36 Na6 -","6","0.166667","","Bordallo, H.N.; Henning, R.W.; Sosman, L.P.; Hanif, K.M.; da Fonseca, R.J.M.; Dias Tavares, A.jr.; Strouse, G.F.","Structural and vibrational study of chromium doped elpasolite crystals Cs2 Na Al F6","Journal of Chemical Physics","2001","115","","4300","4305","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "1525702","7.699","","8.183","","7.799","","90","","110.93","","90","","458.924","","","","","","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","Cs0.86 (N H4)0.14 (H S O4)0.66 (H Se O4)0.34","","- Cs0.86 H1.56 N0.14 O4 S0.66 Se0.34 -","- Cs0.86 H N0.14 O4 S0.66 Se0.34 -","- Cs3.44 H4 N0.56 O16 S2.64 Se1.36 -","4","1","","Bouattour, S.; Kolsi, A.W.; Mhiri, T.; Jaud, J.; Romain, F.","Crystal structure and vibrational study of phase transition in the new material Cs0.86 (N H4)0.14 (H S O4)0.66 (H Se O4)0.34","Journal of Physics and Chemistry of Solids","2001","62","","1985","1990","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "1525703","4.3589","","24.5774","","3.9161","","90","","90","","90","","419.533","","","","","","","","","","","","","2","C m c m","-C 2c 2","63","","","","- Nd Si1.41 -","- Nd Si1.41 -","- Nd8 Si11.28 -","8","0.5","","Boulet, P.; Weitzer, F.; Hiebl, K.; Noel, H.","Structural chemistry, magnetism and electrical properties of binaryNd silicides","Journal of Alloys Compd.","2001","315","","75","81","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00","" "1525705","3.5781","","3.5781","","5.1623","","90","","90","","90","","66.092","","","","","","","","","","","","","2","P 42/n m c :1","P 4n 2n -1n","137","","Zr O2","","- O2 Zr -","- O2 Zr -","- O4 Zr2 -","2","0.125","","Bouvier, P.; Dianoux, A.J.; Djurado, E.; Lucazeau, G.; Ritter, C.","Low temperature phase transformation of nanocrystalline tetragonal Zr O2 by neutron and Raman scattering studies","International Journal of Inorganic Materials","2001","3","","647","654","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "1525711","13.6432","","5.60509","","10.37483","","90","","98.3504","","90","","784.966","","","","","","","","","","","","","3","C 1 2/m 1","-C 2y","12","","Sr7 Re4 O19","","- O19 Re4 Sr7 -","- O19 Re4 Sr7 -","- O38 Re8 Sr14 -","2","0.25","","Bramnik, K.G.; Ehrenberg, H.; Fuess, H.","Preparation, crystal structure, and magnetic studies of a new Sr7 Re4 O19 double oxide and its relation to the structure of Ba7 Ir6 O19","Journal of Solid State Chemistry","2001","160","","45","49","","","","","","","","","","","","","","","","","","","","","","has coordinates","146746","2020-10-21","18:00:00","" "1525714","4.03708","","4.03708","","7.97563","","90","","90","","120","","112.572","","","","","","","","","","","","","4","P 63/m m c","-P 6c 2c","194","","Tb Ni Si D1.78","","- D1.78 Ni Si Tb -","- D1.778 Ni Si Tb -","- D3.556 Ni2 Si2 Tb2 -","2","0.0833333","","Brinks, H.W.; Yartys', V.A.; Hauback, B.C.","Crystal structure of Tb Ni Si D1.78","Journal of Alloys Compd.","2001","322","","160","165","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "1525716","9.561","","9.561","","5.357","","90","","90","","90","","489.698","","","","","","","","","","","","","3","P 42/m n m","-P 4n 2n","136","","Na3 Ru D7","","- D7 Na3 Ru -","- D7 Na3 Ru -","- D28 Na12 Ru4 -","4","0.25","","Bronger, W.; Sommer, T.; Mueller, P.; Swinder, L.","Na3 Ru D7 - Synthese und Struktur","Zeitschrift fuer Anorganische und Allgemeine Chemie","2001","627","","1113","1114","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "1525718","4.7615","","4.7615","","4.4124","","90","","90","","120","","86.635","","","","","","","","","","","","","2","P 63 2 2","P 6c 2c","182","","","","- Fe3 N1.3 -","- Fe3 N1.3 -","- Fe6 N2.6 -","2","0.166667","","Leineweber, A.; Kockelmann, W.; Jacobs, H.; Lueken, H.; Huening, F.","Nitrogen ordering and ferromagnetic properties of epsilon-(Fe3 N1+x) (0.10 < x < 0.39) and epsilon-(Fe3 (N0.80 C0.20)1.38)","Journal of Alloys Compd.","2001","316","","21","38","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00","" "1525719","4.7715","","4.7715","","4.415","","90","","90","","120","","87.05","","","","","","","","","","","","","2","P 63 2 2","P 6c 2c","182","","","","- Fe3 N1.33 -","- Fe3 N1.332 -","- Fe6 N2.664 -","2","0.166667","","Leineweber, A.; Jacobs, H.; Huening, F.; Lueken, H.; Kockelmann, W.","Nitrogen ordering and ferromagnetic properties of epsilon-(Fe3 N1+x) (0.10 < x < 0.39) and epsilon-(Fe3 (N0.80 C0.20)1.38)","Journal of Alloys Compd.","2001","316","","21","38","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00","" "1525721","4.7855","","4.7855","","4.4171","","90","","90","","120","","87.604","","","","","","","","","","","","","2","P 63 2 2","P 6c 2c","182","","","","- Fe3 N1.39 -","- Fe3 N1.39 -","- Fe6 N2.78 -","2","0.166667","","Leineweber, A.; Jacobs, H.; Huening, F.; Kockelmann, W.; Lueken, H.","Nitrogen ordering and ferromagnetic properties of epsilon-(Fe3 N1+x) (0.10 < x < 0.39) and epsilon-(Fe3 (N0.80 C0.20)1.38)","Journal of Alloys Compd.","2001","316","","21","38","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00","" "1525722","8.259","","8.259","","204.3","","90","","90","","120","","12068.5","","","","","","","","","","","","","6","R -3 c :H","-R 3 2""c","167","","(Mn19.50 Mg4.44) (V2.38 As1.12 Si2.76) O27.3 (O H)21.3","","- As1.12 Mg4.44 Mn19.5 O45.6 Si2.76 V2.38 -","- As1.12 Mg4.44 Mn19.5 O45.6 Si2.76 V2.38 -","- As13.44 Mg53.28 Mn234 O547.2 Si33.12 V28.56 -","12","0.333333","","Brugger, J.; Armbruster, T.; Meisser, N.; Hejny, C.; Grobety, B.","Description and structure of turtmannite, a new mineral with a 68 A period related to mcgovernite","American Mineralogist","2001","86","","1494","1505","","","","","","","","","","","","","","","","","","","","","","has coordinates","146765","2020-10-21","18:00:00","" "1525723","4.7743","","4.7743","","4.4063","","90","","90","","120","","86.981","","","","","","","","","","","","","3","P -3 1 m","-P 3 2","162","","Fe3 (N0.8 C0.2)1.396","","- C0.2792 Fe3 N1.1168 -","- C0.279 Fe3 N1.117 -","- C0.558 Fe6 N2.234 -","2","0.166667","","Leineweber, A.; Huening, F.; Jacobs, H.; Kockelmann, W.; Lueken, H.","Nitrogen ordering and ferromagnetic properties of epsilon-(Fe3 N1+x) (0.10 < x < 0.39) and epsilon-(Fe3 (N0.80 C0.20)1.38)","Journal of Alloys Compd.","2001","316","","21","38","","","","","","","","","","","","","","","","","","","","","","has coordinates","146766","2020-10-21","18:00:00","" "1525724","4.7126","","4.7126","","4.3752","","90","","90","","120","","84.149","","","","","","","","","","","","","2","P 63 2 2","P 6c 2c","182","","","","- Fe3 N1.107 -","- Fe3 N1.107 -","- Fe6 N2.214 -","2","0.166667","","Leineweber, A.; Jacobs, H.; Lueken, H.; Huening, F.; Kockelmann, W.","Nitrogen ordering and ferromagnetic properties of epsilon-(Fe3 N1+x) (0.10 < x < 0.39) and epsilon-(Fe3 (N0.80 C0.20)1.38)","Journal of Alloys Compd.","2001","316","","21","38","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00","" "1525726","4.7644","","4.7644","","4.3906","","90","","90","","120","","86.312","","","","","","","","","","","","","3","P -3 1 m","-P 3 2","162","","Fe3 (N0.8 C0.2)1.395","","- C0.279 Fe3 N1.116 -","- C0.279 Fe3 N1.116 -","- C0.558 Fe6 N2.232 -","2","0.166667","","Leineweber, A.; Jacobs, H.; Kockelmann, W.; Huening, F.; Lueken, H.","Nitrogen ordering and ferromagnetic properties of epsilon-(Fe3 N1+x) (0.10 < x < 0.39) and epsilon-(Fe3 (N0.80 C0.20)1.38)","Journal of Alloys Compd.","2001","316","","21","38","","","","","","","","","","","","","","","","","","","","","","has coordinates","146770","2020-10-21","18:00:00","" "1525727","4.7197","","4.7197","","4.3946","","90","","90","","120","","84.777","","","","","","","","","","","","","2","P 63 2 2","P 6c 2c","182","","","","- Fe3 N1.1 -","- Fe3 N1.101 -","- Fe6 N2.202 -","2","0.166667","","Leineweber, A.; Jacobs, H.; Huening, F.; Lueken, H.; Kockelmann, W.","Nitrogen ordering and ferromagnetic properties of epsilon-(Fe3 N1+x) (0.10 < x < 0.39) and epsilon-(Fe3 (N0.80 C0.20)1.38)","Journal of Alloys Compd.","2001","316","","21","38","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00","" "1525728","9.0767","","9.0767","","9.0767","","90","","90","","90","","747.797","","","","","","","","","","","","","7","P -4 3 n","P -4n 2 3","218","","Na8 (Al Si O4)6 (S C N)2","","- C2 Al6 N2 Na8 O24 S2 Si6 -","- C2.016 Al6 N2.016 Na8 O24 S2.016 Si6 -","- C2.016 Al6 N2.016 Na8 O24 S2.016 Si6 -","1","0.0416667","","Buhl, J.C.; Gesing, T.M.; Gurris, C.","Synthesis and crystal structure of rhodanide-enclathrated sodalite Na8 (Al Si O4)6 (S C N)2","Microporous and Mesoporous Materials","2001","50","","25","32","","","","","","","","","","","","","","","","","","","","","","has coordinates","146773","2020-10-21","18:00:00","" "1525729","6.918","","10.127","","10.296","","77.036","","73.989","","76.272","","663.714","","","","","","","","","","","","","6","P -1","-P 1","2","","(Al5 (P O4)2 ((P0.74 S0.26) O3 (O0.76 (O H)0.24))2 F2 (O H)2 (H2 O)8) (H2 O)6.48","","- Al5 F2 H31.44 O32.48 P3.48 S0.52 -","- Al5 F2 H6 O32.48 P3.48 S0.52 -","- Al5 F2 H6 O32.48 P3.48 S0.52 -","1","0.5","","Cahill, C.L.; Krivovichev, S.V.; Burns, P.C.; Bekenova, G.K.; Shabanova, T.A.","The crystal structure of mitryaevaite, Al5 (P O4)2 ((P, S) O3 (O H,O))2 F2 (O H)2 (H2 O)8 * 6.48(H2 O), determined from a microcrystal using synchrotron radiation","Canadian Mineralogist","2001","39","","179","186","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "1525731","4.7396","","4.7396","","4.3994","","90","","90","","120","","85.587","","","","","","","","","","","","","2","P 63 2 2","P 6c 2c","182","","","","- Fe3 N1.235 -","- Fe3 N1.235 -","- Fe6 N2.47 -","2","0.166667","","Leineweber, A.; Kockelmann, W.; Huening, F.; Jacobs, H.; Lueken, H.","Nitrogen ordering and ferromagnetic properties of epsilon-(Fe3 N1+x) (0.10 < x < 0.39) and epsilon-(Fe3 (N0.80 C0.20)1.38)","Journal of Alloys Compd.","2001","316","","21","38","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00","" "1525732","5.4983","","5.4983","","5.4983","","90","","90","","90","","166.221","","","","","","","","","","","","","3","F m -3 m","-F 4 2 3","225","","(Ca0.94 U0.06) F2.06","","- Ca0.94 F2.06 U0.06 -","- Ca0.94 F2.06 U0.06 -","- Ca3.76 F8.24 U0.24 -","4","0.0208333","","Campbell, J.A.; Laval, J.P.; Fernandez Diaz, M.T.; Foster, M.","The defect structure of Ca F2: U(3+)","Journal of Alloys Compd.","2001","323","","111","114","","","","","","","","","","","","","","","","","","","","","","has coordinates","146777","2020-10-21","18:00:00","" "1525733","4.7434","","4.7434","","4.4074","","90","","90","","120","","85.88","","","","","","","","","","","","","2","P 63 2 2","P 6c 2c","182","","","","- Fe3 N1.236 -","- Fe3 N1.236 -","- Fe6 N2.472 -","2","0.166667","","Leineweber, A.; Jacobs, H.; Huening, F.; Lueken, H.; Kockelmann, W.","Nitrogen ordering and ferromagnetic properties of epsilon-(Fe3 N1+x) (0.10 < x < 0.39) and epsilon-(Fe3 (N0.80 C0.20)1.38)","Journal of Alloys Compd.","2001","316","","21","38","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00","" "1525735","4.7542","","4.7542","","4.4197","","90","","90","","120","","86.512","","","","","","","","","","","","","2","P 63 2 2","P 6c 2c","182","","","","- Fe3 N1.226 -","- Fe3 N1.226 -","- Fe6 N2.452 -","2","0.166667","","Leineweber, A.; Lueken, H.; Huening, F.; Jacobs, H.; Kockelmann, W.","Nitrogen ordering and ferromagnetic properties of epsilon-(Fe3 N1+x) (0.10 < x < 0.39) and epsilon-(Fe3 (N0.80 C0.20)1.38)","Journal of Alloys Compd.","2001","316","","21","38","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00","" "1525737","4.7583","","4.7583","","4.4226","","90","","90","","120","","86.719","","","","","","","","","","","","","2","P 63 2 2","P 6c 2c","182","","","","- Fe3 N1.231 -","- Fe3 N1.231 -","- Fe6 N2.462 -","2","0.166667","","Leineweber, A.; Huening, F.; Jacobs, H.; Lueken, H.; Kockelmann, W.","Nitrogen ordering and ferromagnetic properties of epsilon-(Fe3 N1+x) (0.10 < x < 0.39) and epsilon-(Fe3 (N0.80 C0.20)1.38)","Journal of Alloys Compd.","2001","316","","21","38","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00","" "1525739","4.7625","","4.7625","","4.4252","","90","","90","","120","","86.923","","","","","","","","","","","","","2","P 63 2 2","P 6c 2c","182","","","","- Fe3 N1.222 -","- Fe3 N1.222 -","- Fe6 N2.444 -","2","0.166667","","Leineweber, A.; Jacobs, H.; Huening, F.; Kockelmann, W.; Lueken, H.","Nitrogen ordering and ferromagnetic properties of epsilon-(Fe3 N1+x) (0.10 < x < 0.39) and epsilon-(Fe3 (N0.80 C0.20)1.38)","Journal of Alloys Compd.","2001","316","","21","38","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00","" "1525740","2.80247","","2.80247","","9.5358","","90","","90","","120","","64.859","","","","","","","","","","","","","3","P 63 m c","P 6c -2c","186","","Li1.03 Co0.94 O1.88","","- Co0.94 Li1.03 O1.88 -","- Co0.94 Li1.03 O1.88 -","- Co1.88 Li2.06 O3.76 -","2","0.166667","","Carlier, D.; Saadoune, I.; Menetrier, M.; Croguennec, L.; Suard, E.; Delmas, C.","On the metastable O2-type Li Co O2","Solid State Ionics","2001","144","","263","276","","","","","","","","","","","","","","","","","","","","","","has coordinates","146785","2020-10-21","18:00:00","" "1525741","4.7715","","4.7715","","4.4311","","90","","90","","120","","87.368","","","","","","","","","","","","","2","P 63 2 2","P 6c 2c","182","","","","- Fe3 N1.22 -","- Fe3 N1.221 -","- Fe6 N2.442 -","2","0.166667","","Leineweber, A.; Jacobs, H.; Huening, F.; Kockelmann, W.; Lueken, H.","Nitrogen ordering and ferromagnetic properties of epsilon-(Fe3 N1+x) (0.10 < x < 0.39) and epsilon-(Fe3 (N0.80 C0.20)1.38)","Journal of Alloys Compd.","2001","316","","21","38","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00","" "1525742","5.909","","5.909","","23.369","","90","","90","","120","","706.641","","","","","","","","","","","","","8","P 63/m m c","-P 6c 2c","194","","(Ba0.84 Na0.06 K0.06 Sr0.05) (Fe9.36 Ti2.33 Mg0.31) O19","","- Ba0.84 Fe9.36 K0.06 Mg0.31 Na0.06 O19 Sr0.05 Ti2.33 -","- Ba0.84 Fe9.363 K0.06 Mg0.305 Na0.06 O19 Sr0.05 Ti2.332 -","- Ba1.68 Fe18.726 K0.12 Mg0.61 Na0.12 O38 Sr0.1 Ti4.664 -","2","0.0833333","","Lengauer, C.L.; Tillmanns, E.; Hentschel, G.","Batiferrite, Ba (Ti2 Fe10) O19, a new ferrimagnetic magnetoplumbite-type mineral from the Quaternary volcanic rocks of the western Eifel area, Germany","Mineralogy and Petrology","2001","71","","1","19","","","","","","","","","","","","","","","","","","","","","","has coordinates","146789","2020-10-21","18:00:00","" "1525743","7.6495","","7.6495","","14.835","","90","","90","","90","","868.068","","","","","","","","","","","","","2","I 4/m c m","-I 4 2c","140","","","","- Ca5 Si3 -","- Ca5 Si3 -","- Ca20 Si12 -","4","0.125","","Leon-Escamilla, E.A.; Corbett, J.D.","Hydrogen impurity effects, A5 Tt3 intermetallic compounds between A = Ca, Sr, Ba, Eu and Tt = Si, Ge, Sn with (Cr5 B3)-like structures that are stable both as binary and as ternary hydride and fluoride phases","Journal of Solid State Chemistry","2001","159","","149","162","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00","" "1525745","7.6354","","7.6354","","14.829","","90","","90","","90","","864.521","","","","","","","","","","","","","3","I 4/m c m","-I 4 2c","140","","Ca5 Si3 F0.42","","- Ca5 F0.42 Si3 -","- Ca5 F0.42 Si3 -","- Ca20 F1.68 Si12 -","4","0.125","","Leon-Escamilla, E.A.; Corbett, J.D.","Hydrogen impurity effects, A5 Tt3 intermetallic compounds between A= Ca, Sr, Ba, Eu and Tt = Si, Ge, Sn with (Cr5 B3)-like structures that are stable both as binary and as ternary hydride and fluoride phases","Journal of Solid State Chemistry","2001","159","","149","162","","","","","","","","","","","","","","","","","","","","","","has coordinates","146793","2020-10-21","18:00:00","" "1525747","8.4726","","8.4726","","16.443","","90","","90","","90","","1180.36","","","","","","","","","","","","","3","P 4/n c c :2","-P 4a 2ac","130","","Ba5 Si3 F0.16","","- Ba5 F0.16 Si3 -","- Ba5 F0.16 Si3 -","- Ba20 F0.64 Si12 -","4","0.25","","Leon-Escamilla, E.A.; Corbett, J.D.","Hydrogen impurity effects, A5 Tt3 intermetallic compounds between A= Ca, Sr, Ba, Eu and Tt = Si, Ge, Sn with (Cr5 B3)-like structures that are stable both as binary and as ternary hydride and fluoride phases","Journal of Solid State Chemistry","2001","159","","149","162","","","","","","","","","","","","","","","","","","","","","","has coordinates","146795","2020-10-21","18:00:00","" "1525749","7.9052","","7.9052","","15.281","","90","","90","","90","","954.943","","","","","","","","","","","","","3","I 4/m c m","-I 4 2c","140","","Eu5 Si3 H2","","- Eu5 H2 Si3 -","- Eu5 H Si3 -","- Eu20 H4 Si12 -","4","0.125","","Leon-Escamilla, E.A.; Corbett, J.D.","Hydrogen impurity effects, A5 Tt3 intermetallic compounds between A= Ca, Sr, Ba, Eu and Tt = Si, Ge, Sn with (Cr5 B3)-like structures that are stable both as binary and as ternary hydride and fluoride phases","Journal of Solid State Chemistry","2001","159","","149","162","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "1525750","7.7156","","7.7156","","14.885","","90","","90","","90","","886.111","","","","","","","","","","","","","2","I 4/m c m","-I 4 2c","140","","","","- Ca5 Ge3 -","- Ca5 Ge3 -","- Ca20 Ge12 -","4","0.125","","Leon-Escamilla, E.A.; Corbett, J.D.","Hydrogen impurity effects, A5 Tt3 intermetallic compounds between A= Ca, Sr, Ba, Eu and Tt = Si, Ge, Sn with (Cr5 B3)-like structures that are stable both as binary and as ternary hydride and fluoride phases","Journal of Solid State Chemistry","2001","159","","149","162","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00","" "1525751","8.936","","8.936","","12.375","","90","","90","","90","","988.17","","","","","","","","","","","","","5","P 42/m n m","-P 4n 2n","136","","Nd2 Fe13 Ga B D3.76","","- B D3.76 Fe13 Ga Nd2 -","- B D3.76 Fe12.998 Ga1.002 Nd2 -","- B4 D15.04 Fe51.992 Ga4.008 Nd8 -","4","0.25","","Chacon, C.; Isnard, O.; Suard, E.","Neutron diffraction study on the deuterium site occupation and magnetic structure of the Nd2 (Fe, Ga)14 B Dy compounds","Journal of Alloys Compd.","2001","317","","60","66","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "1525752","7.7218","","7.7218","","14.66","","90","","90","","90","","874.12","","","","","","","","","","","","","3","I 4/m c m","-I 4 2c","140","","","","- Ca5 Ge3 H2 -","- Ca5 Ge3 H -","- Ca20 Ge12 H4 -","4","0.125","","Leon-Escamilla, E.A.; Corbett, J.D.","Hydrogen impurity effects, A5 Tt3 intermetallic compounds between A= Ca, Sr, Ba, Eu and Tt = Si, Ge, Sn with (Cr5 B3)-like structures that are stable both as binary and as ternary hydride and fluoride phases","Journal of Solid State Chemistry","2001","159","","149","162","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00","" "1525753","8.908","","8.908","","12.384","","90","","90","","90","","982.701","","","","","","","","","","","","","5","P 42/m n m","-P 4n 2n","136","","Nd2 Fe12.2 Ga1.8 B D2.6","","- B D2.6 Fe12.2 Ga1.8 Nd2 -","- B D2.6 Fe12.2 Ga1.8 Nd2 -","- B4 D10.4 Fe48.8 Ga7.2 Nd8 -","4","0.25","","Chacon, C.; Isnard, O.; Suard, E.","Neutron diffraction study on the deuterium site occupation and magnetic structure of the Nd2 (Fe, Ga)14 B Dy compounds","Journal of Alloys Compd.","2001","317","","60","66","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "1525754","7.7093","","7.7093","","14.789","","90","","90","","90","","878.959","","","","","","","","","","","","","3","I 4/m c m","-I 4 2c","140","","Ca5 Ge3 F0.66","","- Ca5 F0.66 Ge3 -","- Ca5 F0.66 Ge3 -","- Ca20 F2.64 Ge12 -","4","0.125","","Leon-Escamilla, E.A.; Corbett, J.D.","Hydrogen impurity effects, A5 Tt3 intermetallic compounds between A= Ca, Sr, Ba, Eu and Tt = Si, Ge, Sn with (Cr5 B3)-like structures that are stable both as binary and as ternary hydride and fluoride phases","Journal of Solid State Chemistry","2001","159","","149","162","","","","","","","","","","","","","","","","","","","","","","has coordinates","146803","2020-10-21","18:00:00","" "1525755","10.755","","10.755","","10.755","","90","","90","","90","","1244.03","","","","","","","","","","","","","3","P m -3 n","-P 4n 2 3","223","","","","- Ba8 Ga16 Ge30 -","- Ba8 Ga15.9988 Ge29.9966 -","- Ba8 Ga15.9988 Ge29.9966 -","1","0.0208333","","Chakoumakos, B.C.; Sales, B.C.; Mandrus, D.","Structural disorder and magnetism of the semiconducting clathrate Eu8 Ga16 Ge30","Journal of Alloys Compd.","2001","322","","127","134","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00","" "1525757","9.3927","","9.3927","","6.8985","","90","","90","","120","","527.067","","","","","","","","","","","","","4","P 63/m","-P 6c","176","","Ca4.9 (P O4)2.82 O0.72 (O D)","","- Ca4.9 D O13 P2.82 -","- Ca4.9 D O13 P2.82 -","- Ca9.8 D2 O26 P5.64 -","2","0.166667","","Leventouri, T.; Chakoumakos, B.C.; Perdikatsis, B.; Papanearchou, N.","Comparison of crystal structure parameters of natural and synthetic apatites from neutron powder diffraction","Journal of Materials Research","2001","16","","2600","2606","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "1525758","10.6747","","10.6747","","10.6747","","90","","90","","90","","1216.37","","","","","","","","","","","","","3","P m -3 n","-P 4n 2 3","223","","","","- Eu8 Ga16 Ge30 -","- Eu8 Ga15.9988 Ge29.9966 -","- Eu8 Ga15.9988 Ge29.9966 -","1","0.0208333","","Chakoumakos, B.C.; Sales, B.C.; Mandrus, D.","Structural disorder and magnetism of the semiconducting clathrate Eu8 Ga16 Ge30","Journal of Alloys Compd.","2001","322","","127","134","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00","" "1525765","8.274","","8.274","","8.274","","90","","90","","90","","566.43","","","","","","","","","","","","","4","F m -3 m","-F 4 2 3","225","","Y Ba2 (Re O6)","","- Ba2 O6 Re Y -","- Ba2 O6 Re Y -","- Ba8 O24 Re4 Y4 -","4","0.0208333","","Licci, F.; Gauzzi, A.; Masini, R.; Marezio, M.; Santoro, A.; Huang, Q.; Bougerol-Chaillout, C.; Bordet, P.","Effects of Re substitution on the structure and superconductivity of Cu1-x Rex Ba2 Y Cu2 Ow","Physica C (Amsterdam)","2001","355","","267","277","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "1525766","3.84192","","3.87655","","11.69134","","90","","90","","90","","174.124","","","","","","","","","","","","","5","P m m m","-P 2 2","47","","(Cu0.9 Re0.1) Ba2 Y Cu2 O7.049","","- Ba2 Cu2.9 O7.049 Re0.1 Y -","- Ba2 Cu2.9 O7.049 Re0.1 Y -","- Ba2 Cu2.9 O7.049 Re0.1 Y -","1","0.125","","Licci, F.; Gauzzi, A.; Marezio, M.; Huang, Q.; Bougerol-Chaillout, C.; Santoro, A.; Masini, R.; Bordet, P.","Effects of Re substitution on the structure and superconductivity of Cu1-x Rex Ba2 Y Cu2 Ow","Physica C (Amsterdam)","2001","355","","267","277","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "1525767","3.84602","","3.87911","","11.73153","","90","","90","","90","","175.024","","","","","","","","","","","","","5","P m m m","-P 2 2","47","","(Cu0.85 Re0.15) Ba2 Y Cu2 O7","","- Ba2 Cu2.85 O7 Re0.15 Y -","- Ba2 Cu2.85 O6.999 Re0.15 Y -","- Ba2 Cu2.85 O6.999 Re0.15 Y -","1","0.125","","Licci, F.; Gauzzi, A.; Marezio, M.; Huang, Q.; Santoro, A.; Masini, R.; Bordet, P.; Bougerol-Chaillout, C.","Effects of Re substitution on the structure and superconductivity of Cu1-x Rex Ba2 Y Cu2 Ow","Physica C (Amsterdam)","2001","355","","267","277","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "1525768","8.22","","17.136","","9.14","","90","","90","","90","","1287.44","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","Na2 Ba3 Sb4","","- Ba3 Na2 Sb4 -","- Ba3 Na2 Sb4 -","- Ba12 Na8 Sb16 -","4","0.5","","Chi, L.; Corbett, J.D.","Two ternary phases containing Sb2(4-) ions: Na2 M3 Sb4, M = Sr,Ba. Synthesis, structure and properties","Journal of Solid State Chemistry","2001","162","","327","332","","","","","","","","","","","","","","","","","","","","","","has coordinates","146819","2020-10-21","18:00:00","" "1525770","22.096","","22.096","","3.8734","","90","","90","","120","","1637.76","","","","","","","","","","","","","3","P -6 m 2","P -6 2","187","","Sm25 Ni49 P33","","- Ni49 P33 Sm25 -","- Ni49 P33 Sm25 -","- Ni49 P33 Sm25 -","1","0.0833333","","Chikhrii, S.I.; Babizhet'sky, V.S.; Kuz'ma, Yu.B.","New ternary phosphides Ln25 Ni49 P33 (Ln= Ce, Pr, Nd, Sm, Gd, Tb, Dy, Ho, Er)","Zeitschrift fuer Anorganische und Allgemeine Chemie","2001","627","","1319","1324","","","","","","","","","","","","","","","","","","","","","","has coordinates","146821","2020-10-21","18:00:00","" "1525780","7.291","","7.291","","4.2826","","90","","90","","90","","227.657","","","","","","","","","","","","","3","P 4/m b m","-P 4 2ab","127","","Gd2 Mg Ge2","","- Gd2 Ge2 Mg -","- Gd2 Ge2 Mg -","- Gd4 Ge4 Mg2 -","2","0.125","","Choe Wonyoung; Miller, G.J.; Levin, E.M.","Crystal structure and magnetism of Gd2 Mg Ge2","Journal of Alloys Compd.","2001","329","","121","130","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "1525782","9.0925","","9.0925","","8.129","","90","","90","","120","","582.015","","","","","","","","","","","","","4","P 3","P 3","143","","Rb U Sb0.33 Te6","","- Rb Sb0.33 Te6 U -","- Rb0.985 Sb0.33 Te6 U -","- Rb1.97 Sb0.66 Te12 U2 -","2","0.666667","","Choi, K.-S.; Kanatzidis, M.G.","Unique periodic modulations in the infinite (Tex)(n-) chains of Rb U Sb0.33 Te6","Journal of Solid State Chemistry","2001","161","","17","22","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "1525784","15.741","","15.741","","24.382","","90","","90","","120","","5231.96","","","","","","","","","","","","","4","R 3 :H","R 3","146","","Rb U Sb0.33 Te6","","- Rb Sb0.33 Te6 U -","- Rb Sb0.331667 Te6 U -","- Rb18 Sb5.97 Te108 U18 -","18","2","","Choi, K.-S.; Kanatzidis, M.G.","Unique periodic modulations in the infinite (Tex)(n-) chains of Rb U Sb0.33 Te6","Journal of Solid State Chemistry","2001","161","","17","22","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "1525785","12.247","","12.247","","12.247","","90","","90","","90","","1836.92","","","","","","","","","","","","","7","P m -3 m","-P 4 2 3","221","","(Cs3 Na8 H (Si12 Al12 O48)) (Kr)6","","- Al12 Cs3 H Kr6 Na8 O48 Si12 -","- Al12 Cs3 Kr6 Na8 O48 Si12 -","- Al12 Cs3 Kr6 Na8 O48 Si12 -","1","0.0208333","","Lim, W.T.; Chang, C.H.; Jung, K.J.; Heo, N.-H.","Kr atoms and their clustering in zeolite A","Bulletin of the Korean Chemical Society","2001","22","","1023","1029","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "1525794","5.4091","","32.785","","5.4428","","90","","90","","90","","965.212","","","","","","","","","","","","","4","A b a 2","A 2 -2ab","41","","Li2 Bi4 Ti3 O12","","- Bi4 Li2 O12 Ti3 -","- Bi4 Li2 O12 Ti3 -","- Bi16 Li8 O48 Ti12 -","4","","","Choy, J.-H.; Chung, I.; Kim, J.-Y.","Neutron diffraction and X-ray absorption spectroscopic analyses for lithiated Aurivillius-type layered perovskite oxide, Li2 Bi4 Ti3 O12","J. Phys. Chem. B","2001","105","","7908","7912","","","","","","","","","","","","","","","","","","","","","","has coordinates","146849","2020-10-21","18:00:00","" "1525796","10.1789","","10.1789","","10.1789","","90","","90","","90","","1054.64","","","","","","","","","","","","","4","F d -3 m :2","-F 4vw 2vw 3","227","","(Eu1.34 Fe0.66) Ti2 O6.34","","- Eu1.34 Fe0.66 O6.34 Ti2 -","- Eu1.34 Fe0.66 O6.34 Ti2 -","- Eu10.72 Fe5.28 O50.72 Ti16 -","8","0.0416667","","Chtoun, E.; Hanebali, L.; Garnier, P.","Analyse par diffraction des rayons X, methode de Rietveld, de la structure des solutions solides (1-x)(A2 Ti2 O7)-x(Fe2 Ti O5), A = Eu, Y","Annales de Chimie (Paris)","2001","26","","27","32","","","","","","","","","","","","","","","","","","","","","","has coordinates","146851","2020-10-21","18:00:00","" "1525798","10.0949","","10.0949","","10.0949","","90","","90","","90","","1028.74","","","","","","","","","","","","","4","F d -3 m :2","-F 4vw 2vw 3","227","","(Y1.6 Fe0.4) Ti1.8 O6.6","","- Fe0.4 O6.6 Ti1.8 Y1.6 -","- Fe0.4 O6.601 Ti1.8 Y1.6 -","- Fe3.2 O52.808 Ti14.4 Y12.8 -","8","0.0416667","","Chtoun, E.; Hanebali, L.; Garnier, P.","Analyse par diffraction des rayons X, methode de Rietveld, de la structure des solutions solides (1-x)(A2 Ti2 O7)-x(Fe2 Ti O5), A = Eu, Y","Annales de Chimie (Paris)","2001","26","","27","32","","","","","","","","","","","","","","","","","","","","","","has coordinates","146853","2020-10-21","18:00:00","" "1525800","21.188","","21.188","","12.8828","","90","","90","","120","","5008.65","","","","","","","","","","","","","3","P 63/m c m","-P 6c 2","193","","Nd5 Fe17 D17.387","","- D17.387 Fe17 Nd5 -","- D17.387 Fe17 Nd5 -","- D208.644 Fe204 Nd60 -","12","0.5","","Chu, Z.; Yelon, W.B.; da Silva, P.S.M.; Murakami, R.K.; Villas-Boas, V.; Missell, F.P.","A neutron diffraction study of the deuterium site occupancy in Nd5 Fe17 D15.5","IEEE Transactions on Magnetics","2001","37","","2172","2175","","","","","","","","","","","","","","","","","","","","","","has coordinates","146856","2020-10-21","18:00:00","" "1525801","14.957","","16.535","","16.159","","90","","108.586","","90","","3787.92","","","","","","","","","","","","","4","P 1 21 1","P 2yb","4","","Na4 (H3 O) (Na (H P O4)2 (P O4)4 Mo18 O49) (H2 O)16","","- Mo18 Na5 O40 P6 -","- Mo18 Na5 O40 P6 -","- Mo36 Na10 O80 P12 -","2","1","","Lin, Z.-Z.; Zhang, H.-H.; Huang, C.-C.; Wu, X.-Y.; Zhao, S.-L.; Sun, R.-Q.; Lin, Z.-H.","Hydrothermal synthesis and structure of a novel molybdenum phosphate: Na4 (H3 O) (Na (H P O4)2 (P O4)4 Mo18 O49) * 16(H2 O)","Jiegon Huaxue","2001","20","","447","450","","","","","","","","","","","","","","","","","","","","","","has coordinates","146857","2020-10-21","18:00:00","" "1525805","3.90574","","3.90574","","11.80355","","90","","90","","90","","180.061","","","","","","","","","","","","","4","P m m m","-P 2 2","47","","Pr Ba2 Cu3 O7","","- Ba2 Cu3 O7 Pr -","- Ba2 Cu3 O7 Pr -","- Ba2 Cu3 O7 Pr -","1","0.125","","Lisboa-Filho, P. N.; Zanetti, S. M.; Mombrú, A. W.; Nascente, P. A. P.; Leite, E. R.; Ortiz, W. A.; Araújo-Moreira, F. M.","Crystallographic, microstructural and magnetic properties of polycrystalline PrBa~2~Cu~3~O~7-δ~","Superconductor Science and Technology","2001","14","8","522","527","10.1088/0953-2048/14/8/302","","","","","","","","","","","","","","","","","","","","","has coordinates","206902","2020-10-21","18:00:00","" "1525807","18.3742","","18.3742","","18.3742","","90","","90","","90","","6203.34","","","","","","","","","","","","","3","I m -3 m","-I 4 2 3","229","","","","- Ba Cu1.023 O2.045 -","- Ba Cu1.02273 O2.04545 -","- Ba88 Cu90 O180 -","88","0.916667","","Lisboa-Filho, P. N.; Zanetti, S. M.; Mombrú, A. W.; Nascente, P. A. P.; Leite, E. R.; Ortiz, W. A.; Araújo-Moreira, F. M.","Crystallographic, microstructural and magnetic properties of polycrystalline PrBa~2~Cu~3~O~7-δ~","Superconductor Science and Technology","2001","14","8","522","527","10.1088/0953-2048/14/8/302","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00","" "1525809","24.7294","","24.7294","","24.7294","","90","","90","","90","","15123.1","","","","","","","","","","","","","5","F d -3 m :2","-F 4vw 2vw 3","227","","Na10.4 Rb47.26 (Si135.8 Al56.1 O384)","","- Al56.1 Na10.4 O384 Rb47.26 Si135.8 -","- Al56.1024 Na10.4 O384 Rb47.264 Si135.802 -","- Al56.1024 Na10.4 O384 Rb47.264 Si135.802 -","1","0.00520833","","Ciraolo, M.F.; Grey, C.P.; Hanson, J.C.","Solid-state rubidium exchange of zeolite N H4 Y","Microporous and Mesoporous Materials","2001","49","","111","124","","","","","","","","","","","","","","","","","","","","","","has coordinates","146866","2020-10-21","18:00:00","" "1525810","5.4923","","5.4923","","13.3427","","90","","90","","120","","348.564","","","","","","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","(La0.6 Sr0.3 Ca0.1) (Mn O3)","","- Ca0.1 La0.6 Mn O3 Sr0.3 -","- Ca0.1 La0.6 Mn O3 Sr0.3 -","- Ca0.6 La3.6 Mn6 O18 Sr1.8 -","6","0.166667","","Liu, R.S.; Shen, C.H.; Hu, S.F.","Chemical pressure controlled colossal magnetoresistance effects in La0.6 (Sr0.4-x Cax) Mn O3","International Journal of Inorganic Materials","2001","3","","1063","1072","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "1525812","5.4854","","5.4854","","13.3094","","90","","90","","120","","346.821","","","","","","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","(La0.6 Sr0.2 Ca0.2) (Mn O3)","","- Ca0.2 La0.6 Mn O3 Sr0.2 -","- Ca0.2 La0.6 Mn O3 Sr0.2 -","- Ca1.2 La3.6 Mn6 O18 Sr1.2 -","6","0.166667","","Liu, R.S.; Shen, C.H.; Hu, S.F.","Chemical pressure controlled colossal magnetoresistance effects in La0.6 (Sr0.4-x Cax) Mn O3","International Journal of Inorganic Materials","2001","3","","1063","1072","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "1525813","6.8738","","4.9178","","5.7018","","90","","98.829","","90","","190.46","","","","","","","","","","","","","5","P 1 21 1","P 2yb","4","","Zn2 (B O3) (O H)0.75 F0.25","","- B F0.25 H0.75 O3.75 Zn2 -","- B F0.25 H0.75 O3.75 Zn2 -","- B2 F0.5 H1.5 O7.5 Zn4 -","2","1","","Corbel, G.; Suard, E.; Emery, J.; Leblanc, M.","(O H)-F disorder in non-centrosymmetric Zn2 (B O3) (O H)0.75 F0.25: ab initio structure determination and NMR study: comparison with tridymite and fluoride borates","Journal of Alloys Compd.","2001","315","","287","295","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "1525814","5.4527","","5.4814","","7.6976","","90","","90","","90","","230.069","","","","","","","","","","","","","5","P b n m","-P 2c 2ab","62","","(La0.6 Sr0.1 Ca0.3) (Mn O3)","","- Ca0.3 La0.6 Mn O3 Sr0.1 -","- Ca0.3 La0.6 Mn O3 Sr0.1 -","- Ca1.2 La2.4 Mn4 O12 Sr0.4 -","4","0.5","","Liu, R.S.; Hu, S.F.; Shen, C.H.","Chemical pressure controlled colossal magnetoresistance effects in La0.6 (Sr0.4-x Cax) Mn O3","International Journal of Inorganic Materials","2001","3","","1063","1072","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "1525815","19.589","","19.589","","19.589","","90","","90","","90","","7516.87","","","","","","","","","","","","","4","I a -3 d","-I 4bd 2c 3","230","","K1.158 Nb6 (Cl7.68 F4.32) Cl2.28 F0.72","","- Cl9.96 F5.04 K1.158 Nb6 -","- Cl9.96 F5.04 K1.158 Nb6 -","- Cl159.36 F80.64 K18.528 Nb96 -","16","0.166667","","Cordier, S.; Perrin, C.; Hernandez, O.","Structural influence of fluorine ligand in niobium cluster chemistry : crystal structures of K Nb6 Cl10 F5 and Cs Nb6 Cl8 F7","Journal of Fluorine Chemistry","2001","107","","205","214","","","","","","","","","","","","","","","","","","","","","","has coordinates","146874","2020-10-21","18:00:00","" "1525816","5.4508","","5.4659","","7.6985","","90","","90","","90","","229.365","","","","","","","","","","","","","4","P b n m","-P 2c 2ab","62","","(La0.6 Ca0.4) (Mn O3)","","- Ca0.4 La0.6 Mn O3 -","- Ca0.4 La0.6 Mn O3 -","- Ca1.6 La2.4 Mn4 O12 -","4","0.5","","Liu, R.S.; Shen, C.H.; Hu, S.F.","Chemical pressure controlled colossal magnetoresistance effects in La0.6 (Sr0.4-x Cax) Mn O3","International Journal of Inorganic Materials","2001","3","","1063","1072","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "1525817","8.2743","","8.2743","","8.2743","","90","","90","","90","","566.492","","","","","","","","","","","","","4","P m -3 m","-P 4 2 3","221","","Cs1.28 Nb6 (Cl8.01 F3.97) F3","","- Cl8.01 Cs1.28 F6.97 Nb6 -","- Cl8.0112 Cs1.2798 F6.9696 Nb6 -","- Cl8.0112 Cs1.2798 F6.9696 Nb6 -","1","0.0208333","","Cordier, S.; Hernandez, O.; Perrin, C.","Structural influence of fluorine ligand in niobium cluster chemistry : crystal structures of K Nb6 Cl10 F5 and Cs Nb6 Cl8 F7","Journal of Fluorine Chemistry","2001","107","","205","214","","","","","","","","","","","","","","","","","","","","","","has coordinates","146876","2020-10-21","18:00:00","" "1525818","9.6373","","9.6373","","35.415","","90","","90","","120","","2848.58","","","","","","","","","","","","","3","R -3 c :H","-R 3 2""c","167","","Nb6 Br8.322 F6.678","","- Br8.322 F6.678 Nb6 -","- Br8.322 F6.678 Nb6 -","- Br49.932 F40.068 Nb36 -","6","0.166667","","Cordier, S.; Perrin, C.; Hernandez, O.","Syntheses and crystal structures of the first bromofluorides in niobium cluster chemistry: Nb6 Br8 F7 and Na2 Nb F6 - (Nb6 Br4 F11)","Journal of Solid State Chemistry","2001","158","","327","333","","","","","","","","","","","","","","","","","","","","","","has coordinates","146878","2020-10-21","18:00:00","" "1525819","10.067","","10.067","","7.053","","90","","90","","120","","619.02","","","","","","","","","","","","","3","P 31","P 31","144","","Rb (N O3)","","- N O3 Rb -","- N O3 Rb -","- N9 O27 Rb9 -","9","3","","Liu, J.; Mei, W.N.; Ossowski, M.M.; Duan, C.-G.; Smith, R.W.; Hardy, J.R.","Molecular dynamics simulation of structural phase transitions in Rb N O3 and Cs N O3","Journal of Solid State Chemistry","2001","160","","222","229","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "1525820","8.1765","","8.1765","","8.1765","","90","","90","","90","","546.641","","","","","","","","","","","","","4","P m -3 m","-P 4 2 3","221","","(Na1.87 Nb F6) (Nb6 Br3.65 F8.35) F3","","- Br3.65 F17.35 Na1.87 Nb7 -","- Br3.648 F17.352 Na1.872 Nb7 -","- Br3.648 F17.352 Na1.872 Nb7 -","1","0.0208333","","Cordier, S.; Hernandez, O.; Perrin, C.","Syntheses and crystal structures of the first bromofluorides in niobium cluster chemistry: Nb6 Br8 F7 and Na2 Nb F6 - (Nb6 Br4 F11)","Journal of Solid State Chemistry","2001","158","","327","333","","","","","","","","","","","","","","","","","","","","","","has coordinates","146880","2020-10-21","18:00:00","" "1525821","10.492","","10.492","","7.389","","90","","90","","120","","704.422","","","","","","","","","","","","","3","P 31","P 31","144","","Cs (N O3)","","- Cs N O3 -","- Cs N O3 -","- Cs9 N9 O27 -","9","3","","Liu, J.; Hardy, J. R.; Duan, C.-G.; Mei, W. N.; Smith, R. W.; Ossowski, M. M.","Molecular dynamics simulation of structural phase transitions in RbN O3 and Cs N O3","Journal of Solid State Chemistry","2001","160","1","222","229","10.1006/jssc.2001.9226","","","","","","","","","","","","","","","","","","","","","has coordinates","205145","2020-10-21","18:00:00","" "1525824","17.4076","","11.1723","","19.2502","","90","","149.731","","90","","1887.12","","","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Na3 (Cr2 P3 S12)","","- Cr2 Na3 P3 S12 -","- Cr2 Na3 P3 S12 -","- Cr8 Na12 P12 S48 -","4","1","","Coste, S.; Jobic, S.; Kopnin, E.; Evain, M.; Brec, R.; Payen, C.","Na3 Cr2 P3 S12 and KK3 Cr2 P3 S12 : two new one-dimensional thiophosphate compounds with a novel structure","Journal of Solid State Chemistry","2001","162","","195","203","","","","","","","","","","","","","","","","","","","","","","has coordinates","146884","2020-10-21","18:00:00","" "1525825","3.887","","3.887","","6.709","","90","","90","","120","","87.784","","","","","","","","","","","","","3","P -3 m 1","-P 3 2""","164","","Sm2 O2 S","","- O2 S Sm2 -","- O2 S Sm2 -","- O2 S Sm2 -","1","0.0833333","","Llanos, J.; Mujica, C.; Henriquez, A.; Gomez-Romero, P.; Molins, E.","Structure refinement of samarium monothio oxide","Journal of Alloys Compd.","2001","316","","90","92","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "1525826","17.969","","12.0607","","19.3109","","90","","150.008","","90","","2092.01","","","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","K3 (Cr2 P3 S12)","","- Cr2 K3 P3 S12 -","- Cr2 K3 P3 S12 -","- Cr8 K12 P12 S48 -","4","1","","Coste, S.; Kopnin, E.; Evain, M.; Jobic, S.; Payen, C.; Brec, R.","Na3 Cr2 P3 S12 and KK3 Cr2 P3 S12 : two new one-dimensional thiophosphate compounds with a novel structure","Journal of Solid State Chemistry","2001","162","","195","203","","","","","","","","","","","","","","","","","","","","","","has coordinates","146886","2020-10-21","18:00:00","" "1525831","4.3838","","4.3838","","2.8637","","90","","90","","90","","55.034","","","","","","","","","","","","","2","P 42/m n m","-P 4n 2n","136","","","","- Ge O2 -","- Ge O2 -","- Ge2 O4 -","2","0.125","","Lodziana, Z.; Parlinski, K.; Hafner, J.","Ab initio studies of high-pressure transformations in Ge O2","Physical Review, Serie 3. B - Condensed Matter (18,1978-)","2001","63","","1341061","1341067","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00","" "1525833","4.5792","","4.0956","","5.088","","90","","90","","90","","95.423","","","","","","","","","","","","","2","P b c n","-P 2n 2ab","60","","","","- Ge O2 -","- Ge O2 -","- Ge4 O8 -","4","0.5","","Lodziana, Z.; Parlinski, K.; Hafner, J.","Ab initio studies of high-pressure transformations in Ge O2","Physical Review, Serie 3. B - Condensed Matter (18,1978-)","2001","63","","1341061","1341067","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00","" "1525835","4.4046","","4.4046","","4.4046","","90","","90","","90","","85.451","","","","","","","","","","","","","2","P a -3","-P 2ac 2ab 3","205","","","","- Ge O2 -","- Ge O2 -","- Ge4 O8 -","4","0.166667","","Lodziana, Z.; Parlinski, K.; Hafner, J.","Ab initio studies of high-pressure transformations in Ge O2","Physical Review, Serie 3. B - Condensed Matter (18,1978-)","2001","63","","1341061","1341067","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00","" "1525838","3.228","","3.228","","6.413","","90","","90","","120","","57.871","","","","","","","","","","","","","3","P 63/m m c","-P 6c 2c","194","","(Ti Mo) P2","","- Mo P2 Ti -","- Mo P2 Ti -","- Mo P2 Ti -","1","0.0416667","","Lomnitskaya, Ya.F.; Chikhrii, S.I.; Kuz'ma, Yu.B.","The interaction of phosphorus with titanium and molybdenum","Journal of Alloys Compd.","2001","321","","91","96","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "1525839","11.898","","16.629","","21.413","","90","","100.59","","90","","4164.44","","","","","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Na10 ((P W9 O34)2 Ni4 (H2 O)2) (H2 O)26","","- H56 Na10 Ni4 O96 P2 W18 -","- Na10 Ni4 O96 P2 W18 -","- Na20 Ni8 O192 P4 W36 -","2","0.5","","Cui, C.-P.; Dai, J.-C.; Fu, Z.-Y.; Wu, L.-M.; Du, W.-X.; Hu, S.-M.; Wu, X.-T.","Synthesis and crystal structure of 18-tungstotetranickel(II) diphosphate Na10 ((P W9 O34)2 Ni4 (H2 O)2) * 26(H2 O)","Jiegon Huaxue","2001","20","","274","277","","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00","" "1525840","3.2191","","3.2191","","3.1995","","90","","90","","120","","28.713","","","","","","","","","","","","","3","P -6 m 2","P -6 2","187","","(Ti0.9 Mo0.1) P","","- Mo0.1 P Ti0.9 -","- Mo0.1 P Ti0.9 -","- Mo0.1 P Ti0.9 -","1","0.0833333","","Lomnitskaya, Ya.F.; Chikhrii, S.I.; Kuz'ma, Yu.B.","The interaction of phosphorus with titanium and molybdenum","Journal of Alloys Compd.","2001","321","","91","96","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "1525842","9.6834","","9.6834","","3.3091","","90","","90","","120","","268.718","","","","","","","","","","","","","3","P -6","P -6","174","","(Ti4.52 Mo6.8) P7","","- Mo6.8 P7 Ti4.52 -","- Mo6.81 P7 Ti4.52 -","- Mo6.81 P7 Ti4.52 -","1","0.166667","","Lomnitskaya, Ya.F.; Chikhrii, S.I.; Kuz'ma, Yu.B.","The interaction of phosphorus with titanium and molybdenum","Journal of Alloys Compd.","2001","321","","91","96","","","","","","","","","","","","","","","","","","","","","","has coordinates","146905","2020-10-21","18:00:00","" "1525845","7.479","","7.479","","16.637","","90","","90","","120","","805.921","","","","","","","","","","","","","5","R 3 :H","R 3","146","","(Cs2 (S O4)) (Te (O H)6)","","- Cs2 H6 O10 S Te -","- Cs2 H6 O10 S Te -","- Cs6 H18 O30 S3 Te3 -","3","0.333333","","Dammak, M.; Mhiri, T.; Jaud, J.; Savariault, J.M.","Structural study of the two new cesium sulfate and selenate tellurate Cs2 S O4 * Te (O H)6 and Cs2 Se O4 * Te (O H)6","International Journal of Inorganic Materials","2001","3","","861","873","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "1525846","3.8728","","3.8728","","37.0664","","90","","90","","120","","481.461","","","","","","","","","","","","","3","R -3 m :H","-R 3 2""","166","","Zn In2 S4","","- In2 S4 Zn -","- In2 S4 Zn -","- In6 S12 Zn3 -","3","0.0833333","","Lopez-Rivera, S.A.; Mora, A.J.; Acosta Najarro, D.; Rivera, A.V.; Avila Godoy, R.","Determination of the structure of IIIa-(Zn In2 S4) using convergent-beam electron diffraction and single-crystal X-ray diffraction","Semiconductor Science and Technology","2001","16","","367","371","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "1525847","12.817","","7.519","","12.432","","90","","111.16","","90","","1117.31","","","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(Cs2 (Se O4)) (Te (O H)6)","","- Cs2 H6 O10 Te -","- Cs2 H6 O10 Te -","- Cs8 H24 O40 Te4 -","4","1","","Dammak, M.; Mhiri, T.; Jaud, J.; Savariault, J.M.","Structural study of the two new cesium sulfate and selenate tellurate Cs2 S O4 * Te (O H)6 and Cs2 Se O4 * Te (O H)6","International Journal of Inorganic Materials","2001","3","","861","873","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "1525852","9.145","","9.145","","15.099","","90","","90","","120","","1093.57","","","","","","","","","","","","","4","P 63","P 6c","173","","Cd4 (S O4) (O H)6 (H2 O)1.5","","- Cd4 H9 O11.5 S -","- Cd4 O11.5 S -","- Cd16 O46 S4 -","4","0.666667","","Louer, D.; Rius, J.; Louer, M.; Bennard-Rocherulle, P.","Structural study of cadmium hydroxide sulfates. VI. The layer structure of Cd4 S O4 (O H)6 * 1.5(H2 O) studied from X-ray powder and single-crystal diffraction data","Powder Diffraction","2001","16","","86","91","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "1525853","4.052","","16.917","","4.058","","90","","90","","90","","278.167","","","","","","","","","","","","","3","C m c m","-C 2c 2","63","","U Cu Ge1.77","","- Cu Ge1.77 U -","- Cu Ge1.77 U -","- Cu4 Ge7.08 U4 -","4","0.25","","Darriet, B.; Chevalier, B.; Darriet, J.; Pechev, S.","Structural study of U Cu Ge1.75 by X-ray and electron diffraction","Journal of Alloys Compd.","2001","317","","331","335","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "1525854","5.427","","5.427","","13.254","","90","","90","","120","","338.063","","","","","","","","","","","","","4","R -3 c :H","-R 3 2""c","167","","(La0.5 Sr0.5) (Co O3)","","- Co La0.5 O3 Sr0.5 -","- Co La0.5 O3 Sr0.5 -","- Co6 La3 O18 Sr3 -","6","0.166667","","Das, A.; Joy, P.A.; Paranjpe, S.K.; Date, S.K.","Neutron depolarization and diffraction studies in cluster glass La0.5 Sr0.5 Co O3","Journal of Alloys Compd.","2001","326","","101","104","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "1525855","2.8778","","2.8778","","11.1629","","90","","90","","120","","80.062","","","","","","","","","","","","","5","P 63/m m c","-P 6c 2c","194","","Na0.6667 (Co0.0417 Ni0.2916 Mn0.6667) O2","","- Co0.0417 Mn0.6667 Na0.6667 Ni0.2916 O2 -","- Co0.0417 Mn0.6667 Na0.6666 Ni0.2916 O2 -","- Co0.0834 Mn1.3334 Na1.3332 Ni0.5832 O4 -","2","0.0833333","","Lu, Z.-H.; Dahn, J.R.","The effect of Co substitution for Ni on the structure and electrochemical behaviour of T2 and O2 structure Li2/3 (Cox Ni1/3-x Mn2/3) O2","Journal of the Electrochemical Society","2001","148","","237","240","","","","","","","","","","","","","","","","","","","","","","has coordinates","146918","2020-10-21","18:00:00","" "1525862","3.931","","3.931","","3.423","","90","","90","","90","","52.895","","","","","","","","","","","","","4","P 4/m m m","-P 4 2","123","","(Sr0.92 La0.08) Cu O1.89","","- Cu La0.08 O1.89 Sr0.92 -","- Cu La0.08 O1.89 Sr0.92 -","- Cu La0.08 O1.89 Sr0.92 -","1","0.0625","","Luparev, V.V.; Kostyleva, I.E.; Kuz'micheva, G.M.; Khlybov, E.P.; Palewski, T.","The particularities of infinite-layer compounds Sr1-x Lnx Cu O2-d (Ln = La, Pr, Nd, Eu)","Crystal Research and Technology","2001","36","","557","564","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "1525863","3.9492","","3.9492","","3.3833","","90","","90","","90","","52.767","","","","","","","","","","","","","4","P 4/m m m","-P 4 2","123","","(Sr0.83 Pr0.17) Cu O2.02","","- Cu O2.02 Pr0.17 Sr0.83 -","- Cu O2.02 Pr0.17 Sr0.83 -","- Cu O2.02 Pr0.17 Sr0.83 -","1","0.0625","","Luparev, V.V.; Kuz'micheva, G.M.; Palewski, T.; Kostyleva, I.E.; Khlybov, E.P.","The particularities of infinite-layer compounds Sr1-x Lnx Cu O2-d (Ln = La, Pr, Nd, Eu)","Crystal Research and Technology","2001","36","","557","564","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "1525864","9.057","","9.057","","13.262","","90","","90","","120","","942.125","","","","","","","","","","","","","3","R -3 m :H","-R 3 2""","166","","Nd2 Zn15 Ge2","","- Ge2 Nd2 Zn15 -","- Ge2 Nd2 Zn15 -","- Ge6 Nd6 Zn45 -","3","0.0833333","","Demchenko, P.; Bodak, O.","Rietveld refinement of the structure of Nd2 Zn15 Ge2","Polish Journal of Chemistry","2001","75","","153","156","","","","","","","","","","","","","","","","","","","","","","has coordinates","146929","2020-10-21","18:00:00","" "1525865","3.9284","","3.9284","","3.4331","","90","","90","","90","","52.981","","","","","","","","","","","","","4","P 4/m m m","-P 4 2","123","","(Sr0.94 La0.06) Cu O1.89","","- Cu La0.06 O1.89 Sr0.94 -","- Cu La0.06 O1.89 Sr0.94 -","- Cu La0.06 O1.89 Sr0.94 -","1","0.0625","","Luparev, V.V.; Kostyleva, I.E.; Kuz'micheva, G.M.; Palewski, T.; Khlybov, E.P.","The particularities of infinite-layer compounds Sr1-x Lnx Cu O2-d (Ln = La, Pr, Nd, Eu)","Crystal Research and Technology","2001","36","","557","564","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "1525866","3.8928","","3.8928","","19.652","","90","","90","","90","","297.804","","","","","","","","","","","","","3","I 4/m","-I 4","87","","Pr Cu1.16 P2","","- Cu1.2 P2.04 Pr1.02 -","- Cu1.2 P2.04 Pr1.02 -","- Cu4.8 P8.16 Pr4.08 -","4","0.25","","Demchyna, R.O.; Davydov, V.N.; Chikhrii, S.I.; Kuz'ma, Yu.B.","New phosphide Pr Cu1.16 P2.00 and its crystal structure","Dopov. Nats. Akad. Nauk. Ukr.","2001","2001","","129","133","","","","","","","","","","","","","","","","","","","","","","has coordinates","146931","2020-10-21","18:00:00","" "1525867","3.9453","","3.9453","","3.3836","","90","","90","","90","","52.667","","","","","","","","","","","","","4","P 4/m m m","-P 4 2","123","","(Sr0.83 Nd0.17) Cu O2.00","","- Cu Nd0.17 O2 Sr0.83 -","- Cu Nd0.17 O2 Sr0.83 -","- Cu Nd0.17 O2 Sr0.83 -","1","0.0625","","Luparev, V.V.; Kuz'micheva, G.M.; Kostyleva, I.E.; Khlybov, E.P.; Palewski, T.","The particularities of infinite-layer compounds Sr1-x Lnx Cu O2-d (Ln = La, Pr, Nd, Eu)","Crystal Research and Technology","2001","36","","557","564","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "1525868","4.0777","","4.0777","","10.5262","","90","","90","","90","","175.026","","","","","","","","","","","","","3","P 4/n m m :2","-P 4a 2a","129","","Ce Ag As2","","- Ag As2 Ce -","- Ag As2 Ce -","- Ag2 As4 Ce2 -","2","0.125","","Demchyna, R.O.; Kuz'ma, Yu.B.; Babizhet'sky, V.S.","New arsenides Ln Ag As2 (Ln = La, Ce, Pr, Nd, Sm, Gd, Tb, Dy) and their crystal structure","Journal of Alloys Compd.","2001","315","","158","163","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "1525869","3.932","","3.932","","3.402","","90","","90","","90","","52.597","","","","","","","","","","","","","4","P 4/m m m","-P 4 2","123","","(Sr0.92 Eu0.08) Cu O2.03","","- Cu Eu0.08 O2.03 Sr0.92 -","- Cu Eu0.08 O2.03 Sr0.92 -","- Cu Eu0.08 O2.03 Sr0.92 -","1","0.0625","","Luparev, V.V.; Kuz'micheva, G.M.; Khlybov, E.P.; Kostyleva, I.E.; Palewski, T.","The particularities of infinite-layer compounds Sr1-x Lnx Cu O2-d (Ln = La, Pr, Nd, Eu)","Crystal Research and Technology","2001","36","","557","564","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "1525870","14.6746","","11.0027","","3.9045","","90","","90","","90","","630.421","","","","","","","","","","","","","3","P n n m","-P 2 2n","58","","Nd Cu4 P2","","- Cu4 Nd P2 -","- Cu4 Nd P2 -","- Cu24 Nd6 P12 -","6","0.75","","Demchyna, R.O.; Orishchin, S.V.; Kuz'ma, Yu.B.","The Nd - Cu - P system","Journal of Alloys Compd.","2001","322","","176","183","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "1525871","3.93","","3.93","","3.426","","90","","90","","90","","52.914","","","","","","","","","","","","","4","P 4/m m m","-P 4 2","123","","(Sr0.98 Eu0.02) Cu O1.96","","- Cu Eu0.02 O1.96 Sr0.98 -","- Cu Eu0.02 O1.96 Sr0.98 -","- Cu Eu0.02 O1.96 Sr0.98 -","1","0.0625","","Luparev, V.V.; Kuz'micheva, G.M.; Khlybov, E.P.; Kostyleva, I.E.; Palewski, T.","The particularities of infinite-layer compounds Sr1-x Lnx Cu O2-d (Ln = La, Pr, Nd, Eu)","Crystal Research and Technology","2001","36","","557","564","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "1525872","13.794","","23.9","","8.417","","90","","90","","90","","2774.89","","","","","","","","","","","","","3","P c c 2","P 2 -2c","27","","Al (P O4)","","- Al O4 P -","- Al O4 P -","- Al24 O96 P24 -","24","6","","Demontis, P.; Gulin Gonzalez, J.; de las Pozas, C.; Tilocca, A.; Suffritti, G.B.","An effective harmonic potential for aluminophosphate molecular sieves : application to Al P O4-5","Microporous and Mesoporous Materials","2001","42","","103","111","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "1525873","3.9421","","3.9421","","3.371","","90","","90","","90","","52.386","","","","","","","","","","","","","4","P 4/m m m","-P 4 2","123","","(Sr0.79 Eu0.21) Cu O1.94","","- Cu Eu0.21 O1.94 Sr0.79 -","- Cu Eu0.21 O1.94 Sr0.79 -","- Cu Eu0.21 O1.94 Sr0.79 -","1","0.0625","","Luparev, V.V.; Khlybov, E.P.; Kuz'micheva, G.M.; Palewski, T.; Kostyleva, I.E.","The particularities of infinite-layer compounds Sr1-x Lnx Cu O2-d (Ln = La, Pr, Nd, Eu)","Crystal Research and Technology","2001","36","","557","564","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "1525874","4.0398","","4.0398","","6.9697","","90","","90","","90","","113.745","","","","","","","","","","","","","3","P 4/n m m :2","-P 4a 2a","129","","La S F","","- F La S -","- F La S -","- F2 La2 S2 -","2","0.125","","Demourgues, A.; Tressaud, A.; Laronze, H.; Macaudiere, P.","Rare earth fluorosulfides Ln S F and Ln2 A F4 S2 as new colour pigments","Journal of Alloys Compd.","2001","323","","223","230","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "1525876","3.9569","","3.9569","","6.9226","","90","","90","","90","","108.388","","","","","","","","","","","","","3","P 4/n m m :2","-P 4a 2a","129","","Pr S F","","- F Pr S -","- F Pr S -","- F2 Pr2 S2 -","2","0.125","","Demourgues, A.; Tressaud, A.; Laronze, H.; Macaudiere, P.","Rare earth fluorosulfides Ln S F and Ln2 A F4 S2 as new colour pigments","Journal of Alloys Compd.","2001","323","","223","230","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "1525878","3.9278","","3.9278","","6.9056","","90","","90","","90","","106.537","","","","","","","","","","","","","3","P 4/n m m :2","-P 4a 2a","129","","Nd S F","","- F Nd S -","- F Nd S -","- F2 Nd2 S2 -","2","0.125","","Demourgues, A.; Tressaud, A.; Laronze, H.; Macaudiere, P.","Rare earth fluorosulfides Ln S F and Ln2 A F4 S2 as new colour pigments","Journal of Alloys Compd.","2001","323","","223","230","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "1525880","3.8297","","3.8297","","6.8529","","90","","90","","90","","100.509","","","","","","","","","","","","","3","P 4/n m m :2","-P 4a 2a","129","","Gd S F","","- F Gd S -","- F Gd S -","- F2 Gd2 S2 -","2","0.125","","Demourgues, A.; Tressaud, A.; Laronze, H.; Macaudiere, P.","Rare earth fluorosulfides Ln S F and Ln2 A F4 S2 as new colour pigments","Journal of Alloys Compd.","2001","323","","223","230","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "1525882","4.0782","","4.0782","","19.637","","90","","90","","90","","326.597","","","","","","","","","","","","","4","I 4/m m m","-I 4 2","139","","Ce2 Sr F4 S2","","- Ce2 F4 S2 Sr -","- Ce1.99 F4 S2 Sr1.01 -","- Ce3.98 F8 S4 Sr2.02 -","2","0.0625","","Demourgues, A.; Tressaud, A.; Laronze, H.; Macaudiere, P.","Rare earth fluorosulfides Ln S F and Ln2 A F4 S2 as new colour pigments","Journal of Alloys Compd.","2001","323","","223","230","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "1525883","5.359","","11.614","","11.861","","113.16","","103.04","","94.56","","649.457","","","","","","","","","","","","","7","P 1","P 1","1","","Fe6.314 K1.875 Na (Ti2 Si8 O24) (O3 (O H)4)","","- Fe6.314 H4 K1.875 Na O31 Si8 Ti2 -","- Fe6.314 H4 K1.875 Na O31 Si8 Ti2 -","- Fe6.314 H4 K1.875 Na O31 Si8 Ti2 -","1","1","","Ma, Z.-S.; Li, G.-W.; Zhou, H.-Y.; Shi, N.-C.; Pushcharovskii, D.Yu.; Ye, D.-I.","Structure refinement of astrophyllite","Science in China Series D","2001","44","","508","516","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "1525884","3.9917","","3.9917","","6.9473","","90","","90","","90","","110.696","","","","","","","","","","","","","3","P 4/n m m :2","-P 4a 2a","129","","Ce S F","","- Ce F S -","- Ce F S -","- Ce2 F2 S2 -","2","0.125","","Demourgues, A.; Tressaud, A.; Laronze, H.; Gravereau, P.; Macaudiere, P.","Preparation and structural properties of new series of mixed-anion compounds : rare earth fluorosulfides","Journal of Fluorine Chemistry","2001","107","","215","221","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "1525885","5.3338","","5.4584","","7.4666","","90","","90","","90","","217.383","","","","","","","","","","","","","4","P b n m","-P 2c 2ab","62","","(Tb0.5 Ca0.5) Mn O2.991","","- Ca0.5 Mn O2.991 Tb0.5 -","- Ca0.5 Mn O2.991 Tb0.5 -","- Ca2 Mn4 O11.964 Tb2 -","4","0.5","","Machida, A.; Moritomo, Y.; Ohoyama, K.; Nakamura, A.","Neutron investigation of Tb1-x Cax Mn O3 (x >= 0.5)","Journal of the Physical Society of Japan","2001","70","","3739","3746","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "1525886","3.8723","","3.8723","","6.8755","","90","","90","","90","","103.096","","","","","","","","","","","","","3","P 4/n m m :2","-P 4a 2a","129","","Sm S F","","- F S Sm -","- F S Sm -","- F2 S2 Sm2 -","2","0.125","","Demourgues, A.; Laronze, H.; Tressaud, A.; Gravereau, P.; Macaudiere, P.","Preparation and structural properties of new series of mixed-anion compounds : rare earth fluorosulfides","Journal of Fluorine Chemistry","2001","107","","215","221","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "1525887","5.3255","","5.4277","","7.4653","","90","","90","","90","","215.786","","","","","","","","","","","","","4","P b n m","-P 2c 2ab","62","","(Tb0.45 Ca0.55) Mn O2.973","","- Ca0.55 Mn O2.973 Tb0.45 -","- Ca0.55 Mn O2.973 Tb0.45 -","- Ca2.2 Mn4 O11.892 Tb1.8 -","4","0.5","","Machida, A.; Moritomo, Y.; Ohoyama, K.; Nakamura, A.","Neutron investigation of Tb1-x Cax Mn O3 (x >= 0.5)","Journal of the Physical Society of Japan","2001","70","","3739","3746","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "1525888","3.91594","","3.91594","","19.253","","90","","90","","90","","295.237","","","","","","","","","","","","","4","I 4/m m m","-I 4 2","139","","(Sm1.72 Ca0.28) (Sm0.28 Ca0.72) F4 S2","","- Ca F4 S2 Sm2 -","- Ca F4 S2 Sm2 -","- Ca2 F8 S4 Sm4 -","2","0.0625","","Demourgues, A.; Gravereau, P.; Tressaud, A.; Laronze, H.; Macaudiere, P.","Preparation and structural properties of new series of mixed-anion compounds : rare earth fluorosulfides","Journal of Fluorine Chemistry","2001","107","","215","221","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "1525889","5.3028","","5.3449","","7.488","","90","","90","","90","","212.232","","","","","","","","","","","","","4","P b n m","-P 2c 2ab","62","","(Tb0.25 Ca0.75) Mn O3.036","","- Ca0.75 Mn O3.036 Tb0.25 -","- Ca0.75 Mn O3.036 Tb0.25 -","- Ca3 Mn4 O12.144 Tb -","4","0.5","","Machida, A.; Moritomo, Y.; Ohoyama, K.; Nakamura, A.","Neutron investigation of Tb1-x Cax Mn O3 (x >= 0.5)","Journal of the Physical Society of Japan","2001","70","","3739","3746","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "1525890","8.2768","","8.2768","","8.2768","","90","","90","","90","","567.006","","","","","","","","","","","","","3","F m -3 m","-F 4 2 3","225","","Sr1.407 Ta0.593 O2.73","","- O2.73 Sr1.407 Ta0.593 -","- O2.73 Sr1.407 Ta0.593 -","- O21.84 Sr11.256 Ta4.744 -","8","0.0416667","","Deniard, P.; Caldes, M.T.; Diot, N.; Zou, X.-D.; Marchand, R.; Brec, R.","Structural modulation in Sr1.4 Ta0.6 O2.9: non-harmonicity on ADPs during Rietveld refinement","International Journal of Inorganic Materials","2001","3","","1121","1123","","","","","","","","","","","","","","","","","","","","","","has coordinates","146955","2020-10-21","18:00:00","" "1525891","5.2908","","5.3281","","7.4808","","90","","90","","90","","210.883","","","","","","","","","","","","","4","P b n m","-P 2c 2ab","62","","(Tb0.2 Ca0.8) Mn O3.039","","- Ca0.8 Mn O3.039 Tb0.2 -","- Ca0.8 Mn O3.039 Tb0.2 -","- Ca3.2 Mn4 O12.156 Tb0.8 -","4","0.5","","Machida, A.; Moritomo, Y.; Nakamura, A.; Ohoyama, K.","Neutron investigation of Tb1-x Cax Mn O3 (x >= 0.5)","Journal of the Physical Society of Japan","2001","70","","3739","3746","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "1525893","5.2688","","5.2859","","7.4563","","90","","90","","90","","207.661","","","","","","","","","","","","","4","P b n m","-P 2c 2ab","62","","(Tb0.05 Ca0.95) Mn O3.087","","- Ca0.95 Mn O3.087 Tb0.05 -","- Ca0.95 Mn O3.087 Tb0.05 -","- Ca3.8 Mn4 O12.348 Tb0.2 -","4","0.5","","Machida, A.; Moritomo, Y.; Ohoyama, K.; Nakamura, A.","Neutron investigation of Tb1-x Cax Mn O3 (x >= 0.5)","Journal of the Physical Society of Japan","2001","70","","3739","3746","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "1525902","17.109","","9.7423","","9.3318","","90","","90","","90","","1555.43","","","","","","","","","","","","","8","C c c m","-C 2 2c","66","","(Mg0.732 Fe0.268)2 Na0.05 (Al3.992 Fe0.014 Si4.994) O18 (H2 O)0.12 (C O2)0.165","","- C0.165 H0.24 Al3.992 Fe0.55 Mg1.464 Na0.05 O18.45 Si4.994 -","- C0.165 Al3.992 Fe0.55 Mg1.464 Na0.05 O18.45 Si4.994 -","- C0.66 Al15.968 Fe2.2 Mg5.856 Na0.2 O73.8 Si19.976 -","4","0.25","","Malcherek, T.; McCammon, C.; Tazzoli, V.; Ottolini, L.; Domeneghetti, M.C.; Carpenter, M.A.","Structural properties of ferromagnesian cordierites","American Mineralogist","2001","86","","66","79","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "1525904","17.1735","","9.7859","","9.3113","","90","","90","","90","","1564.84","","","","","","","","","","","","","8","C c c m","-C 2 2c","66","","(Mg0.358 Fe0.618 Li0.02)2 Na0.091 (Al3.982 Fe0.029 Si4.989) O18 (H2 O)0.48","","- Al3.982 Fe1.265 H0.96 Li0.04 Mg0.716 Na0.091 O18.48 Si4.989 -","- Al3.982 Fe1.265 Li0.04 Mg0.716 Na0.091 O18.48 Si4.989 -","- Al15.928 Fe5.06 Li0.16 Mg2.864 Na0.364 O73.92 Si19.956 -","4","0.25","","Malcherek, T.; Tazzoli, V.; Domeneghetti, M.C.; Ottolini, L.; Carpenter, M.A.; McCammon, C.","Structural properties of ferromagnesian cordierites","American Mineralogist","2001","86","","66","79","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "1525905","3.90044","","3.90044","","4.15115","","90","","90","","90","","63.153","","","","","","","","","","","","","3","P 4 m m","P 4 -2","99","","Pb (Ti O3)","","- O3 Pb Ti -","- O3 Pb Ti -","- O3 Pb Ti -","1","0.125","","Dmowski, W.; Egami, T.; Davies, P.K.; Farber, L.","Structure of Pb (Zr, Ti) O3 near the morphotropic phase boundary","AIP Conference Proceedings","2001","582","","33","44","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "1525906","3.992","","3.992","","4.1758","","90","","90","","90","","66.546","","","","","","","","","","","","","4","P 4 m m","P 4 -2","99","","Pb (Zr0.4 Ti0.6) O3","","- O3 Pb Ti0.6 Zr0.4 -","- O3 Pb Ti0.6 Zr0.4 -","- O3 Pb Ti0.6 Zr0.4 -","1","0.125","","Dmowski, W.; Egami, T.; Farber, L.; Davies, P.K.","Structure of Pb (Zr, Ti) O3 near the morphotropic phase boundary","AIP Conference Proceedings","2001","582","","33","44","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "1525908","5.7154","","5.704","","4.1378","","90","","90.493","","90","","134.89","","","","","","","","","","","","","4","C 1 m 1","C -2y","8","","Pb (Zr0.52 Ti0.48) O3","","- O3 Pb Ti0.48 Zr0.52 -","- O3 Pb Ti0.48 Zr0.52 -","- O6 Pb2 Ti0.96 Zr1.04 -","2","0.5","","Dmowski, W.; Egami, T.; Davies, P.K.; Farber, L.","Structure of Pb (Zr, Ti) O3 near the morphotropic phase boundary","AIP Conference Proceedings","2001","582","","33","44","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "1525909","8.593","","8.593","","4.812","","90","","90","","90","","355.316","","","","","","","","","","","","","4","I 4/m m m","-I 4 2","139","","Pr Fe10.84 V1.16 N0.43","","- Fe10.84 N0.43 Pr V1.16 -","- Fe10.844 N0.43 Pr V1.156 -","- Fe21.688 N0.86 Pr2 V2.312 -","2","0.0625","","Mao, W.; Zhang, X.; Ji, C.; Cheng, B.; Zhang, B.; Wang, L.; Yang, Y.; Xue, Y.; Du, H.; Li, F.","Structural and magnetic properties of Pr Fe12-x Vx and their nitrides","Acta Materialia","2001","49","4","721","728","10.1016/S1359-6454(00)00354-2","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "1525910","5.756","","5.756","","14.242","","90","","90","","120","","408.642","","","","","","","","","","","","","4","R 3 c :H","R 3 -2""c","161","","Pb (Zr0.6 Ti0.4) O3","","- O3 Pb Ti0.4 Zr0.6 -","- O3 Pb Ti0.4 Zr0.6 -","- O18 Pb6 Ti2.4 Zr3.6 -","6","0.333333","","Dmowski, W.; Egami, T.; Farber, L.; Davies, P.K.","Structure of Pb (Zr, Ti) O3 near the morphotropic phase boundary","AIP Conference Proceedings","2001","582","","33","44","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "1525911","12.073","","12.073","","16.829","","90","","90","","90","","2452.95","","","","","","","","","","","","","3","I 4/m m m","-I 4 2","139","","La11 In6 Ge4","","- Ge4 In6 La11 -","- Ge4 In6 La11 -","- Ge16 In24 La44 -","4","0.125","","Mao, J.-G.; Guloy, A.M.","Synthesis, crystal structure and chemical bonding of a new La - In - Ge ternary phase: La11 In6 Ge4","Journal of Alloys Compd.","2001","322","","135","142","","","","","","","","","","","","","","","","","","","","","","has coordinates","146985","2020-10-21","18:00:00","" "1525912","5.7932","","5.8107","","8.2011","","90","","90.249","","90","","276.067","","","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Sr2 (Tb Ru O6)","","- O6 Ru Sr2 Tb -","- O6 Ru Sr2 Tb -","- O12 Ru2 Sr4 Tb2 -","2","0.5","","Doi, Y.; Morii, Y.; Hinatsu, Y.; Oikawa, K.; Shimojo, Y.","Magnetic and neutron diffraction study on ordered perovskites Sr2 Ln Ru O6 (Ln = Tb, Ho)","Journal of Alloys Compd.","2001","323","","455","459","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "1525915","5.9245","","5.9245","","14.7643","","90","","90","","120","","448.794","","","","","","","","","","","","","4","P 63/m m c","-P 6c 2c","194","","Ba3 Nd Ru2 O9","","- Ba3 Nd O9 Ru2 -","- Ba3 Nd O9 Ru2 -","- Ba6 Nd2 O18 Ru4 -","2","0.0833333","","Doi, Y.; Hinatsu, Y.; Ishii, Y.; Shimojo, Y.","Crystal structure and magnetic properties of 6H-perovskite Ba3 Nd Ru2 O9","Journal of Solid State Chemistry","2001","161","","113","120","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "1525916","5.9173","","10.2425","","14.7663","","90","","90.819","","90","","894.864","","","","","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","Ba3 Nd Ru2 O9","","- Ba3 Nd O9 Ru2 -","- Ba3 Nd O9 Ru2 -","- Ba12 Nd4 O36 Ru8 -","4","0.5","","Doi, Y.; Hinatsu, Y.; Shimojo, Y.; Ishii, Y.","Crystal structure and magnetic properties of 6H-perovskite Ba3 Nd Ru2 O9","Journal of Solid State Chemistry","2001","161","","113","120","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "1525917","13.3395","","13.1753","","12.5916","","90","","113.97","","90","","2022.15","","","","","","","","","","","","","5","C 1 2 1","C 2y","5","","(Si36 O72) (C4 H9 N)4","","- C16 H36 N4 O72 Si36 -","- C16 N4 O72 Si36 -","- C16 N4 O72 Si36 -","1","0.25","","Marler, B.; Werthmann, U.; Gies, H.","Synthesis and structure of pure silica-RUB-10 (structure type: RUT)obtained with pyrrolidine as the structure directing agent","Microporous and Mesoporous Materials","2001","43","","329","340","","","","","","","","","","","","","","","","","","","","","","has coordinates","146994","2020-10-21","18:00:00","" "1525920","5.957","","12.696","","7.679","","90","","93.6","","90","","579.617","","","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Cs2 Ni (P2 S6)","","- Cs2 Ni P2 S6 -","- Cs2 Ni P2 S6 -","- Cs4 Ni2 P4 S12 -","2","0.5","","Dong, Y.; Yun, H.; Lee, K.; Hur, N.H.","Synthesis, structure and magnetic properties of one-dimensional thiophosphates, A2 Ni P2 S6 (A= Rb, Cs)","Journal of the Korean Chemical Society","2001","45","","242","246","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "1525921","3.9355","","3.9355","","25.5686","","90","","90","","90","","396.011","","","","","","","","","","","","","4","I 4/m m m","-I 4 2","139","","Ba (Bi2 Ta2 O9)","","- Ba Bi2 O9 Ta2 -","- Ba1.001 Bi1.999 O9 Ta2 -","- Ba2.002 Bi3.998 O18 Ta4 -","2","0.0625","","Marquart, R.; Kennedy, B.J.; Shimakawa, Y.","Cation disorder in the ferroelectric oxides A Bi2 Ta2 O9, A = Ca, Sr, Ba","Journal of Solid State Chemistry","2001","160","","174","177","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "1525922","5.5272","","5.5218","","25.0275","","90","","90","","90","","763.842","","","","","","","","","","","","","4","A 21 a m","A -2 2a","36","","Sr (Bi2 Ta2 O9)","","- Bi2 O9 Sr Ta2 -","- Bi2 O9 Sr Ta2 -","- Bi8 O36 Sr4 Ta8 -","4","0.5","","Marquart, R.; Kennedy, B.J.; Shimakawa, Y.","Cation disorder in the ferroelectric oxides A Bi2 Ta2 O9, A = Ca, Sr, Ba","Journal of Solid State Chemistry","2001","160","","174","177","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "1525923","5.4659","","5.4318","","24.9619","","90","","90","","90","","741.111","","","","","","","","","","","","","4","A 21 a m","A -2 2a","36","","Ca Bi2 Ta2 O9","","- Bi2 Ca O9 Ta2 -","- Bi2 Ca O9 Ta2 -","- Bi8 Ca4 O36 Ta8 -","4","0.5","","Marquart, R.; Kennedy, B.J.; Shimakawa, Y.","Cation disorder in the ferroelectric oxides A Bi2 Ta2 O9, A = Ca, Sr, Ba","Journal of Solid State Chemistry","2001","160","","174","177","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "1525927","10.1053","","10.1053","","6.5488","","90","","90","","90","","668.744","","","","","","","","","","","","","4","I 41/a m d :2","-I 4bd 2","141","","Nd (Fe9.196 Si1.804) C1.213","","- C1.213 Fe9.196 Nd Si1.804 -","- C1.213 Fe9.1962 Nd Si1.8038 -","- C4.852 Fe36.7848 Nd4 Si7.2152 -","4","0.125","","Du Honglin; Zhang, B.-S.; Chang, H.; Zhang, X.-D.; Yang, Y.-C.","Neutron and X-ray diffraction studies on Nd (Fe, Si)11 C1.5 alloy","Yuanzineng Kexue Jishu","2001","35","","289","292","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "1525928","5.438","","5.457","","7.68","","90","","90","","90","","227.905","","","","","","","","","","","","","5","P b n m","-P 2c 2ab","62","","(Nd1.33 Na0.66) (Mn0.66 Ti1.34) O6","","- Mn0.66 Na0.66 Nd1.33 O6 Ti1.34 -","- Mn0.66 Na0.66 Nd1.33 O6 Ti1.34 -","- Mn1.32 Na1.32 Nd2.66 O12 Ti2.68 -","2","0.25","","Martin, P.; Lopez, M.L.; Ruiz, A.I.; Veiga, M.L.; Pico, C.","Structural and electronic characterization of Nd1.33 Na0.66 Mn0.66 Ti1.34 O6","Journal of Alloys Compd.","2001","323","","618","622","","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00","" "1525929","9.4876","","8.6682","","5.105","","90","","107.9","","90","","399.515","","","","","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","Mg (Si O3)","","- Mg O3 Si -","- Mg O3 Si -","- Mg8 O24 Si8 -","8","2","","Duan, W.-H.; Karki, B.B.; Gu, B.L.; Wentzcovitch, R.M.","Ab initio study of Mg Si O3 low-clinoenstatite at high pressure","American Mineralogist","2001","86","","762","766","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "1525930","9.0357","","12.7737","","10.6408","","90","","90.249","","90","","1228.14","","","","","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","La2 (Mo4 O15)","","- La2 Mo4 O15 -","- La2 Mo4 O15 -","- La8 Mo16 O60 -","4","1","","Dubois, F.; Goutenoire, F.; Lacorre, P.; Laligant, Y.; Suard, E.","Ab initio determination of La2 Mo4 O15 crystal structure from X-rays and neutron powder diffraction","Journal of Solid State Chemistry","2001","159","","228","233","","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00","" "1525931","5.4539","","5.449","","7.6944","","90","","90","","90","","228.664","","","","","","","","","","","","","5","P b n m","-P 2c 2ab","62","","(Pr1.333 Na0.667) (Mn0.667 Ti1.333) O6","","- Mn0.667 Na0.667 O6 Pr1.333 Ti1.333 -","- Mn0.666 Na0.666 O6 Pr1.334 Ti1.334 -","- Mn1.332 Na1.332 O12 Pr2.668 Ti2.668 -","2","0.25","","Martin, P.; Pico, C.; Ruiz, A.I.; Lopez, M.L.; Campo, J.; Veiga, M.L.","Conductivity and magnetic properties of new Ln Mn O3 derivatives","Journal of Solid State Chemistry","2001","161","","294","299","","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00","" "1525934","5.426","","5.435","","7.694","","90","","90","","90","","226.898","","","","","","","","","","","","","5","P b n m","-P 2c 2ab","62","","(Nd1.45 Na0.55) (Mn0.55 Ti1.45) O6","","- Mn0.55 Na0.55 Nd1.45 O6 Ti1.45 -","- Mn0.55 Na0.55 Nd1.45 O6 Ti1.45 -","- Mn1.1 Na1.1 Nd2.9 O12 Ti2.9 -","2","0.25","","Martin, P.; Ruiz, A.I.; Campo, J.; Lopez, M.L.; Pico, C.; Veiga, M.L.","Conductivity and magnetic properties of new Ln Mn O3 derivatives","Journal of Solid State Chemistry","2001","161","","294","299","","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00","" "1525942","5.3927","","5.4371","","7.6483","","90","","90","","90","","224.253","","","","","","","","","","","","","4","P b n m","-P 2c 2ab","62","","Ca0.999 (Ti0.805 Fe0.201) O2.899","","- Ca0.999 Fe0.201 O2.899 Ti0.805 -","- Ca0.999 Fe0.201 O2.899 Ti0.805 -","- Ca3.996 Fe0.804 O11.596 Ti3.22 -","4","0.5","","Dunyushkina, L.A.; Gorbunov, Yu.A.","Effect of crystal structure on the electrical properties of Ca Ti1-x Fex O3-d","Neorganicheskie Materialy","2001","37","","1364","1369","","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00","" "1525944","5.3922","","5.4284","","7.6559","","90","","90","","90","","224.096","","","","","","","","","","","","","4","P b n m","-P 2c 2ab","62","","Ca0.997 (Ti0.75 Fe0.256) O2.876","","- Ca0.997 Fe0.256 O2.876 Ti0.75 -","- Ca0.997 Fe0.256 O2.876 Ti0.75 -","- Ca3.988 Fe1.024 O11.504 Ti3 -","4","0.5","","Dunyushkina, L.A.; Gorbunov, Yu.A.","Effect of crystal structure on the electrical properties of Ca Ti1-x Fex O3-d","Neorganicheskie Materialy","2001","37","","1364","1369","","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00","" "1525946","5.3921","","5.428","","7.6561","","90","","90","","90","","224.081","","","","","","","","","","","","","4","P b n m","-P 2c 2ab","62","","Ca (Ti0.7 Fe0.3) O2.85","","- Ca Fe0.3 O2.85 Ti0.7 -","- Ca Fe0.3 O2.85 Ti0.7 -","- Ca4 Fe1.2 O11.4 Ti2.8 -","4","0.5","","Dunyushkina, L.A.; Gorbunov, Yu.A.","Effect of crystal structure on the electrical properties of Ca Ti1-x Fex O3-d","Neorganicheskie Materialy","2001","37","","1364","1369","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "1525950","5.125","","6.559","","8.173","","75.06","","89.25","","69.62","","247.938","","","","","","","","","","","","","3","P 1","P 1","1","","Ga2 Te4 O11","","- Ga2 O11 Te4 -","- Ga2 O11 Te4 -","- Ga2 O11 Te4 -","1","1","","Dutreilh, M.; Thomas, P.; Frit, B.; Champarnaud-Mesjard, J.C.","Crystal structure of a new gallium tellurite: Ga2 Te4 O11","Solid State Sciences","2001","3","","423","431","","","","","","","","","","","","","","","","","","","","","","has coordinates","147032","2020-10-21","18:00:00","" "1525955","9.8842","","9.8842","","2.4785","","90","","90","","120","","209.702","","","","","","","","","","","","","2","R -3 m :H","-R 3 2""","166","","","","- Co O3 -","- Co O3 -","- Co3 O9 -","3","0.0833333","","El Abed, A.; Darriet, J.; Zakhour, M.; Elqebbaj, S.E.; Champeaux, M.; Perez-Mato, J.M.","Crystal structure of a modulated composite structure with two subsystems: Ba1.1064 Co O3","Journal of Solid State Chemistry","2001","161","","300","306","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00","" "1525957","9.8842","","9.8842","","4.4805","","90","","90","","120","","379.088","","","","","","","","","","","","","1","P -3 c 1","-P 3 2""c","165","","","","- Ba -","- Ba -","- Ba6 -","6","0.5","","El Abed, A.; Perez-Mato, J.M.; Elqebbaj, S.E.; Darriet, J.; Champeaux, M.; Zakhour, M.","Crystal structure of a modulated composite structure with two subsystems: Ba1.1064 Co O3","Journal of Solid State Chemistry","2001","161","","300","306","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00","" "1525958","9.6007","","9.6007","","7.7646","","90","","90","","120","","619.806","","","","","","","","","","","","","4","P 3 2 1","P 3 2""","150","","Sr4 Mn2 Ni O9","","- Mn2 Ni O9 Sr4 -","- Mn2 Ni0.9999 O9 Sr4 -","- Mn6 Ni2.9997 O27 Sr12 -","3","0.5","","El Abed, A.; Gaudin, E.; Lemaux, S.; Darriet, J.","Crystal structure and magnetic properties of Sr4 Mn2 Ni O9","Solid State Sciences","2001","3","","887","897","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "1525960","4.347","","4.347","","11.2415","","90","","90","","120","","183.965","","","","","","","","","","","","","4","R -3 m :H","-R 3 2""","166","","","","- Ag0.034 In0.037 Sb0.764 Te0.165 -","- Ag0.034 In0.037 Sb0.764 Te0.165 -","- Ag0.204 In0.222 Sb4.584 Te0.99 -","6","0.166667","","Matsunaga, T.; Umetami, Y.; Yamada, N.","Structural study of a Ag3.4 In3.7 Sb76.4 Te16.5 quadruple compound utilized for phase-change optical disks","Physical Review, Serie 3. B - Condensed Matter (18,1978-)","2001","64","","1841161","1841167","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00","" "1525962","3.5536","","3.5986","","3.5528","","90","","90","","90","","45.433","","","","","","","","","","","","","3","P 2 2 21","P 2c 2","17","","B C2 N","","- C2 B N -","- C2 B N -","- C4 B2 N2 -","2","0.5","","Mattesini, M.; Matar, S.F.","Search for ultra-hard materials : theoretical characterisation of novel orthorhombic B C2 N crystals","International Journal of Inorganic Materials","2001","3","","943","957","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "1525963","7.2548","","6.4471","","7.457","","90","","90","","90","","348.782","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","Co Fe (P O4) O","","- Co Fe O5 P -","- Co Fe O5 P -","- Co4 Fe4 O20 P4 -","4","0.5","","El Khayati, N.; Cherkaoui El Moursli, R.; Rodriguez-Carvajal, J.; Roisnel, T.; Blanchard, N.; Bouree, F.; Andre, G.; Collin, G.","Crystal and magnetic structures of the oxyphosphates M Fe P O5 (M = Fe, Co, Ni, Cu). Analysis of the magnetic ground state in terms of superexchange interactions","The European Physical Journal B","2001","22","","429","442","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "1525964","2.528","","2.5024","","3.5871","","90","","90","","90","","22.692","","","","","","","","","","","","","3","P m m 2","P 2 -2","25","","B C2 N","","- C2 B N -","- C2 B N -","- C2 B N -","1","0.25","","Mattesini, M.; Matar, S.F.","Search for ultra-hard materials : theoretical characterisation of novel orthorhombic B C2 N crystals","International Journal of Inorganic Materials","2001","3","","943","957","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "1525965","7.1882","","6.3924","","7.4847","","90","","90","","90","","343.921","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","Ni Fe (P O4) O","","- Fe Ni O5 P -","- Fe Ni O5 P -","- Fe4 Ni4 O20 P4 -","4","0.5","","El Khayati, N.; Cherkaoui El Moursli, R.; Rodriguez-Carvajal, J.; Andre, G.; Blanchard, N.; Roisnel, T.; Collin, G.; Bouree, F.","Crystal and magnetic structures of the oxyphosphates M Fe P O5 (M =Fe, Co, Ni, Cu). Analysis of the magnetic ground state in terms ofsuperexchange interactions","The European Physical Journal B","2001","22","","429","442","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "1525967","7.5152","","6.3948","","7.1716","","90","","90","","90","","344.654","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","Cu Fe (P O4) O","","- Cu Fe O5 P -","- Cu Fe O5 P -","- Cu4 Fe4 O20 P4 -","4","0.5","","El Khayati, N.; Cherkaoui El Moursli, R.; Rodriguez-Carvajal, J.; Andre, G.; Roisnel, T.; Bouree, F.; Blanchard, N.; Collin, G.","Crystal and magnetic structures of the oxyphosphates M Fe P O5 (M = Fe, Co, Ni, Cu). Analysis of the magnetic ground state in terms ofsuperexchange interactions","The European Physical Journal B","2001","22","","429","442","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "1525978","12.23","","3.763","","3.252","","90","","90","","90","","149.662","","","","","","","","","","","","","3","I m m m","-I 2 2","71","","Ca2 (Cu O3)","","- Ca2 Cu O3 -","- Ca2 Cu O3 -","- Ca4 Cu2 O6 -","2","0.125","","Eremin, N.N.; Leonyuk, L.I.; Urusov, V.S.","Interatomic potentials for structure simulation of alkaline-earth cuprates","Journal of Solid State Chemistry","2001","158","","162","168","10.1006/jssc.2001.9087","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "1525980","3.897","","3.897","","3.211","","90","","90","","90","","48.764","","","","","","","","","","","","","3","P 4/m m m","-P 4 2","123","","Ca (Cu O2)","","- Ca Cu O2 -","- Ca Cu O2 -","- Ca Cu O2 -","1","0.0625","","Eremin, N.N.; Leonyuk, L.I.; Urusov, V.S.","Interatomic potentials for structure simulation of alkaline-earth cuprates","Journal of Solid State Chemistry","2001","158","","162","168","10.1006/jssc.2001.9087","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "1525982","3.572","","16.319","","3.884","","90","","90","","90","","226.404","","","","","","","","","","","","","3","C m c m","-C 2c 2","63","","Sr (Cu O2)","","- Cu O2 Sr -","- Cu O2 Sr -","- Cu4 O8 Sr4 -","4","0.25","","Eremin, N.N.; Leonyuk, L.I.; Urusov, V.S.","Interatomic potentials for structure simulation of alkaline-earth cuprates","Journal of Solid State Chemistry","2001","158","","162","168","10.1006/jssc.2001.9087","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "1525983","3.545","","16.066","","3.881","","90","","90","","90","","221.038","","","","","","","","","","","","","4","C m c m","-C 2c 2","63","","(Sr1.19 Ca0.73) Cu2 O4","","- Ca0.73 Cu2 O4 Sr1.19 -","- Ca0.73 Cu2 O4 Sr1.19 -","- Ca1.46 Cu4 O8 Sr2.38 -","2","0.125","","Eremin, N.N.; Leonyuk, L.I.; Urusov, V.S.","Interatomic potentials for structure simulation of alkaline-earth cuprates","Journal of Solid State Chemistry","2001","158","","162","168","10.1006/jssc.2001.9087","","","","","","","","","","","","","","","","","","","","","has coordinates","160571","2020-10-21","18:00:00","" "1525984","10.515","","16.2534","","9.1029","","90","","105.462","","90","","1499.42","","","","","","","","","","","","","5","C 1 2/m 1","-C 2y","12","","Na2.12 H1.88 Zr2 Si10 O26 (H2 O)9.12","","- H20.12 Na2.12 O35.12 Si10 Zr2 -","- Na2.12 O35.12 Si10 Zr2 -","- Na4.24 O70.24 Si20 Zr4 -","2","0.25","","McDonald, A.M.; Chao, G.Y.","Natrolemoynite, a new hydrated sodium zirconosilicate from Mont Saint-Hilaire, Quebec: description and structure determination","Canadian Mineralogist","2001","39","","1295","1306","","","","","","","","","","","","","","","","","","","","","","has coordinates","147072","2020-10-21","18:00:00","" "1525985","18.261","","18.261","","18.261","","90","","90","","90","","6089.39","","","","","","","","","","","","","3","I m -3 m","-I 4 2 3","229","","Ba (Cu O2)","","- Ba Cu O2 -","- Ba Cu O2 -","- Ba90 Cu90 O180 -","90","0.9375","","Eremin, N.N.; Leonyuk, L.I.; Urusov, V.S.","Interatomic potentials for structure simulation of alkaline-earth cuprates","Journal of Solid State Chemistry","2001","158","","162","168","10.1006/jssc.2001.9087","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "1525989","6.18595","","4.82598","","10.9719","","90","","101.787","","90","","320.64","","","","","","","","","","","","","1","P 1 21/m 1","-P 2yb","11","","","","- Pu -","- Pu -","- Pu16 -","16","4","","Espinosa, F.J.; Villella, P.; Cox, L.E.; Conradson, S.D.; Terry, J.; Lashley, J.C.; Martinez, R.; Morales, L.; Pereyra, R.A.","Local atomic structure of alpha-Pu","Physical Review, Serie 3. B - Condensed Matter (18,1978-)","2001","63","","1741111","1741118","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00","" "1525990","3.79","","3.79","","5.8","","90","","90","","120","","72.15","","","","","","","","","","","","","2","P 63/m m c","-P 6c 2c","194","","","","- Cr Te -","- Cr Te -","- Cr2 Te2 -","2","0.0833333","","Eto, T.; Ishizuka, M.; Kikegawa, T.; Endo, S.; Kanomata, T.","Pressure-induced structural phase transition in a ferromagnet Cr Te","Journal of Alloys Compd.","2001","315","","16","21","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00","" "1525992","6.27","","5.83","","3.71","","90","","90","","90","","135.616","","","","","","","","","","","","","2","P b n m","-P 2c 2ab","62","","","","- Cr Te -","- Cr Te -","- Cr4 Te4 -","4","0.5","","Eto, T.; Ishizuka, M.; Kikegawa, T.; Endo, S.; Kanomata, T.","Pressure-induced structural phase transition in a ferromagnet Cr Te","Journal of Alloys Compd.","2001","315","","16","21","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00","" "1525993","15.7878","","3.761","","9.6639","","90","","117.569","","90","","508.667","","","","","","","","","","","","","4","C 1 2/m 1","-C 2y","12","","Gd4 Ti O4 Se4","","- Gd4 O4 Se4 Ti -","- Gd4 O4 Se4 Ti -","- Gd8 O8 Se8 Ti2 -","2","0.25","","Meerschaut, A.; Lafond, A.; Meignen, V.; Deudon, C.","Crystal structure and magnetic properties of a new oxyselenide of gadolinium and titanium: Gd4 Ti Se4 O4","Journal of Solid State Chemistry","2001","162","","182","187","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "1525994","5.281","","7.463","","5.271","","90","","90","","90","","207.741","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","Ca (Mn O2.95)","","- Ca Mn O2.95 -","- Ca Mn O2.9499 -","- Ca4 Mn4 O11.7996 -","4","0.5","","Melo Jorge, M.E.; Correia dos Santos, A.; Nunes, M.R.","Effects of synthesis method on stoichiometry, structure and electrical conductivity of Ca Mn O3-d","International Journal of Inorganic Materials","2001","3","","915","921","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "1525996","5.789","","5.789","","13.226","","90","","90","","120","","383.854","","","","","","","","","","","","","3","P 63/m m c","-P 6c 2c","194","","Pb V6 O11","","- O11 Pb V6 -","- O11 Pb V6 -","- O22 Pb2 V12 -","2","0.0833333","","Mentre, O.; Kanke, Y.; Kita, E.; Dhaussy, A.C.; Hata, Y.; Conflant, P.","Structural and magnetic transitions in Pb V6 O11","Physical Review, Serie 3. B - Condensed Matter (18,1978-)","2001","64","","1744041","17440411","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "1525997","5.4179","","5.4179","","5.4179","","90","","90","","90","","159.035","","","","","","","","","","","","","4","P -4 3 m","P -4 2 3","215","","(Cu1.86 Fe0.44 Sn0.33) ((Sn0.64 Fe0.36) S4)","","- Cu1.86 Fe0.8 S4 Sn0.97 -","- Cu1.86 Fe0.801 S4 Sn0.97 -","- Cu1.86 Fe0.801 S4 Sn0.97 -","1","0.0416667","","Evstigneyeva, T.L.; Kabalov, Yu.K.","Crystal structure of the cubic modification of Cu2 Fe Sn S4","Kristallografiya","2001","46","","418","422","","","","","","","","","","","","","","","","","","","","","","has coordinates","147086","2020-10-21","18:00:00","" "1526002","11.056","","11.056","","10.629","","90","","90","","120","","1125.17","","","","","","","","","","","","","6","P 63/m","-P 6c","176","","Ca3 Ge (O H)6 (S O4)1.08 (C O3)0.92 (H2 O)12","","- C0.92 H30 Ca3 Ge O25.08 S1.08 -","- C0.92 H30 Ca3 Ge O25.08 S1.08 -","- C1.84 H60 Ca6 Ge2 O50.16 S2.16 -","2","0.166667","","Merlino, S.; Orlandi, P.","Carraraite and zaccagnaite, two new minerals from the Carrara marble quarries: their chemical compositions, physical properties, and structural features","American Mineralogist","2001","86","","1293","1301","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "1526004","3.0725","","3.0725","","15.114","","90","","90","","120","","123.565","","","","","","","","","","","","","5","P 63/m m c","-P 6c 2c","194","","(Zn0.667 Al0.333)2 (O H)4 (C O3)0.333 (H2 O)","","- C0.333 H6 Al0.666 O5.999 Zn1.334 -","- C0.334 H4 Al0.666 O5.998 Zn1.334 -","- C0.334 H4 Al0.666 O5.998 Zn1.334 -","1","0.0416667","","Merlino, S.; Orlandi, P.","Carraraite and zaccagnaite, two new minerals from the Carrara marble quarries: their chemical compositions, physical properties, and structural features","American Mineralogist","2001","86","","1293","1301","","","","","","","","","","","","","","","","","","","","","","has coordinates","147094","2020-10-21","18:00:00","" "1526008","5.8543","","8.79679","","13.1387","","90","","90","","90","","676.631","","","","","","","","","","","","","5","C m c m","-C 2c 2","63","","Ca Al2 (Si2 O7) (O D)2 (D2 O)","","- Al2 Ca D4 O10 Si2 -","- Al2 Ca D4 O10 Si2 -","- Al8 Ca4 D16 O40 Si8 -","4","0.25","","Meyer, H.W.; Redfern, S.A.T.; Sondergeld, P.; Marion, S.; Carpenter, M.A.; Knight, K.S.; Dove, M.T.","Displacive components of the low-temperature phase transitions in lawsonite","American Mineralogist","2001","86","","566","577","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "1526009","5.327","","6.856","","21.51","","90","","93.8","","90","","783.859","","","","","","","","","","","","","8","A 1 2/m 1","-A 2y","12","","(Na1.4 K0.2) Ba2 (Ti2.66 Fe0.34) Si4 O14 (O1.26 (O H)2.74) (H2 O)1.92","","- Ba2 Fe0.34 H6.58 K0.2 Na1.4 O19.92 Si4 Ti2.66 -","- Ba2 Fe0.34 K0.2 Na1.4 O19.92 Si4 Ti2.66 -","- Ba4 Fe0.68 K0.4 Na2.8 O39.84 Si8 Ti5.32 -","2","0.25","","Ferraris, G.; Ivaldi, G.; Zubkova, N.V.; Pushcharovskii, D.Yu.; Pekov, I.V.","The crystal structure of delindeite, Ba2 ((Na,K,vac)3 (Tl, Fe) (Ti2(O, O H)4 Si4 O14) (H2 O, O H)2), a member of the mero-plesiotype bafertisite series","Canadian Mineralogist","2001","39","","1307","1316","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "1526010","7.709","","7.709","","7.942","","90","","90","","90","","471.983","","","","","","","","","","","","","4","I 4/m m m","-I 4 2","139","","(N H4)2 (N H3)1.54 (Ni (N H3)2 Cl4)","","- Cl4 H18.62 N5.54 Ni -","- Cl4 N5.54 Ni -","- Cl8 N11.08 Ni2 -","2","0.0625","","Meyer, G.; Nockemann, P.","Reactivity of ammonium chloride/mercuric chloride mixtures with Monel containers. The new compounds (N H4)2 (N H3)x (Ni (N H3)2 Cl4) and (N H4)5 Cl2 (Cu Cl2) (Cu Cl4)","Journal of Solid State Chemistry","2001","162","","254","259","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "1526011","5.498","","7.12","","47.95","","90","","90","","88.4","","1876.31","","","","","","","","","","","","","10","I 1 1 b","I -2b","9","","(Ba Na2.5 Mn0.5) (Na3 Ti) (Ti1.3 Nb0.7) O2 (Si4 O14) (P O4) (O0.2 (O H)0.9 F0.9)","","- Ba F0.9 H0.9 Mn0.5 Na5.5 Nb0.7 O21.1 P Si4 Ti2.3 -","- Ba F0.9 Mn0.5 Na5.5 Nb0.7 O21.1 P Si4 Ti2.3 -","- Ba4 F3.6 Mn2 Na22 Nb2.8 O84.4 P4 Si16 Ti9.2 -","4","1","","Ferraris, G.; Borutskii, B.E.; Belluso, E.; Gula, A.; Ageeva, O.A.; Soboleva, S.V.","A structural model of the layer titanosilicate bornemanite based on seidozewrite and lomonosovite modules","Canadian Mineralogist","2001","39","","1665","1673","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "1526012","8.748","","8.748","","23.292","","90","","90","","90","","1782.48","","","","","","","","","","","","","4","I 4/m c m","-I 4 2c","140","","(N H4)5 (Cu Cl2) Cl2 (Cu Cl4)","","- Cl8 Cu2 H20 N5 -","- Cl8 Cu2 H20 N5 -","- Cl32 Cu8 H80 N20 -","4","0.125","","Meyer, G.; Nockemann, P.","Reactivity of ammonium chloride/mercuric chloride mixtures with Monel containers. The new compounds (N H4)2 (N H3)x (Ni (N H3)2 Cl4) and (N H4)5 Cl2 (Cu Cl2) (Cu Cl4)","Journal of Solid State Chemistry","2001","162","","254","259","","","","","","","","","","","","","","","","","","","","","","has coordinates","186594","2020-10-21","18:00:00","" "1526015","11.049","","11.049","","25.219","","90","","90","","120","","2666.27","","","","","","","","","","","","","4","P 63/m","-P 6c","176","","(H3 O)0.444 Ce0.888 (Ce0.08 (H3 O)0.14) (S O4)2 (H2 O)4.34","","- Ce0.968 H10.432 O12.924 S2 -","- Ce0.968889 H8.96 O12.9244 S2 -","- Ce8.72 H80.64 O116.32 S18 -","9","0.75","","Filipenko, O.S.; Shilov, G.V.; Atovmyan, L.O.; Ponomarev, V.I.; Leonova, L.S.","Crystal structure of hydroxonium salt of mixed cerium(III) - cerium(IV) sulfate hydrate","Doklady Akad. Nauk","2001","380","","208","212","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "1526017","6.6175","","6.6175","","5.989","","90","","90","","90","","262.266","","","","","","","","","","","","","4","I 41/a m d :2","-I 4bd 2","141","","(Zr0.985 Dy0.015) Si1.016 O4","","- Dy0.015 O4 Si1.016 Zr0.985 -","- Dy0.015 O4 Si Zr0.985 -","- Dy0.06 O16 Si4 Zr3.94 -","4","0.125","","Finch, R.J.; Hanchar, J.M.; Hoskin, P.W.O.; Burns, P.C.","Rare-earth elements in synthetic zircon: Part 2. A single-crystal X-ray study of xenotime substitution","American Mineralogist","2001","86","","681","689","","","","","","","","","","","","","","","","","","","","","","has coordinates","147111","2020-10-21","18:00:00","" "1526018","6.6119","","6.6119","","5.983","","90","","90","","90","","261.56","","","","","","","","","","","","","5","I 41/a m d :2","-I 4bd 2","141","","(Zr0.99 Sm0.01) (Si0.988 P0.012) O4","","- O4 P0.012 Si0.988 Sm0.01 Zr0.99 -","- O4 P0.012 Si0.988 Sm0.01 Zr0.99 -","- O16 P0.048 Si3.952 Sm0.04 Zr3.96 -","4","0.125","","Finch, R.J.; Hanchar, J.M.; Burns, P.C.; Hoskin, P.W.O.","Rare-earth elements in synthetic zircon: Part 2. A single-crystal X-ray study of xenotime substitution","American Mineralogist","2001","86","","681","689","","","","","","","","","","","","","","","","","","","","","","has coordinates","147113","2020-10-21","18:00:00","" "1526019","6.6213","","6.6213","","5.9879","","90","","90","","90","","262.519","","","","","","","","","","","","","5","I 41/a m d :2","-I 4bd 2","141","","(Zr0.976 Gd0.024) (Si0.964 P0.024) O4","","- Gd0.024 O4 P0.024 Si0.964 Zr0.976 -","- Gd0.024 O4 P0.024 Si0.966 Zr0.976 -","- Gd0.096 O16 P0.096 Si3.864 Zr3.904 -","4","0.125","","Finch, R.J.; Hanchar, J.M.; Burns, P.C.; Hoskin, P.W.O.","Rare-earth elements in synthetic zircon: Part 2. A single-crystal X-ray study of xenotime substitution","American Mineralogist","2001","86","","681","689","","","","","","","","","","","","","","","","","","","","","","has coordinates","147115","2020-10-21","18:00:00","" "1526021","6.626","","6.626","","5.986","","90","","90","","90","","262.809","","","","","","","","","","","","","5","I 41/a m d :2","-I 4bd 2","141","","(Zr0.942 Dy0.058) (Si0.910 P0.058) O4","","- Dy0.058 O4 P0.058 Si0.91 Zr0.942 -","- Dy0.058 O4 P0.058 Si0.91 Zr0.942 -","- Dy0.232 O16 P0.232 Si3.64 Zr3.768 -","4","0.125","","Finch, R.J.; Hanchar, J.M.; Hoskin, P.W.O.; Burns, P.C.","Rare-earth elements in synthetic zircon: Part 2. A single-crystal X-ray study of xenotime substitution","American Mineralogist","2001","86","","681","689","","","","","","","","","","","","","","","","","","","","","","has coordinates","147117","2020-10-21","18:00:00","" "1526023","6.6355","","6.6355","","5.989","","90","","90","","90","","263.695","","","","","","","","","","","","","5","I 41/a m d :2","-I 4bd 2","141","","(Zr0.938 Er0.062) (Si0.962 P0.062) O4","","- Er0.062 O4 P0.062 Si0.962 Zr0.938 -","- Er0.062 O4 P0.062 Si0.962 Zr0.938 -","- Er0.248 O16 P0.248 Si3.848 Zr3.752 -","4","0.125","","Finch, R.J.; Hanchar, J.M.; Hoskin, P.W.O.; Burns, P.C.","Rare-earth elements in synthetic zircon: Part 2. A single-crystal X-ray study of xenotime substitution","American Mineralogist","2001","86","","681","689","","","","","","","","","","","","","","","","","","","","","","has coordinates","147119","2020-10-21","18:00:00","" "1526025","6.6265","","6.6265","","5.979","","90","","90","","90","","262.541","","","","","","","","","","","","","5","I 41/a m d :2","-I 4bd 2","141","","(Zr0.913 Yb0.087) (Si0.913 P0.087) O4","","- O4 P0.087 Si0.913 Yb0.087 Zr0.913 -","- O4 P0.087 Si0.913 Yb0.087 Zr0.913 -","- O16 P0.348 Si3.652 Yb0.348 Zr3.652 -","4","0.125","","Finch, R.J.; Hanchar, J.M.; Hoskin, P.W.O.; Burns, P.C.","Rare-earth elements in synthetic zircon: Part 2. A single-crystal X-ray study of xenotime substitution","American Mineralogist","2001","86","","681","689","","","","","","","","","","","","","","","","","","","","","","has coordinates","147121","2020-10-21","18:00:00","" "1526026","9.46","","7.3561","","14.013","","90","","107.21","","90","","931.486","","","","","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","K3 Cu5 O4","","- Cu5 K3 O4 -","- Cu5 K3 O4 -","- Cu20 K12 O16 -","4","1","","Moeller, A.","Untersuchungen zur Reaktivitt in den Systemen A/Cu/M/O (A = Na-Cs und M = Co, Ni, Cu, Ag). Synthese und Kristallstrukturen von K3 Cu5 O4 und Cs3 Cu5 O4","Zeitschrift fuer Anorganische und Allgemeine Chemie","2001","627","","1192","1198","","","","","","","","","","","","","","","","","","","","","","has coordinates","147122","2020-10-21","18:00:00","" "1526027","6.6329","","6.6329","","5.986","","90","","90","","90","","263.356","","","","","","","","","","","","","5","I 41/a m d :2","-I 4bd 2","141","","(Zr0.87 Y0.13) (Si0.85 P0.13) O4","","- O4 P0.13 Si0.85 Y0.13 Zr0.87 -","- O4 P0.13 Si0.85 Y0.13 Zr0.87 -","- O16 P0.52 Si3.4 Y0.52 Zr3.48 -","4","0.125","","Finch, R.J.; Hanchar, J.M.; Hoskin, P.W.O.; Burns, P.C.","Rare-earth elements in synthetic zircon: Part 2. A single-crystal X-ray study of xenotime substitution","American Mineralogist","2001","86","","681","689","","","","","","","","","","","","","","","","","","","","","","has coordinates","147123","2020-10-21","18:00:00","" "1526028","10.277","","7.6142","","14.734","","90","","106.46","","90","","1105.7","","","","","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- Cs3 Cu5 O4 -","- Cs3 Cu5 O4 -","- Cs12 Cu20 O16 -","4","1","","Moeller, A.","Untersuchungen zur Reaktivitt in den Systemen A/Cu/M/O (A = Na-Cs und M = Co, Ni, Cu, Ag). Synthese und Kristallstrukturen von K3 Cu5 O4 und Cs3 Cu5 O4","Zeitschrift fuer Anorganische und Allgemeine Chemie","2001","627","","1192","1198","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00","" "1526032","8.235","","8.235","","5.129","","90","","90","","120","","301.225","","","","","","","","","","","","","4","P 3 2 1","P 3 2""","150","","La3 (Nb0.5 Ga0.5) Ga5 O14","","- Ga5.5 La3 Nb0.5 O14 -","- Ga5.5 La3 Nb0.5 O14 -","- Ga5.5 La3 Nb0.5 O14 -","1","0.166667","","Molchanov, V.N.; Kondakov, A.F.; Maksimov, B.A.; Chernaya, T.S.; Simonov, V.I.; Pisarevskii, Yu.V.","Crystal structure and optical activity of La3 Nb0.5 Ga5.5 O14 and Sr3 Ga2 Ge4 O14 single crystals of the langasite family","Journal of Experimental and Theoretical Physics Letters","2001","74","","222","225","","","","","","","","","","","","","","","","","","","","","","has coordinates","147128","2020-10-21","18:00:00","" "1526034","5.2328","","9.0948","","20.207","","90","","95.694","","90","","956.932","","","","","","","","","","","","","9","C 1 2/c 1","-C 2yc","15","","(K0.95 Na0.05) (Al0.76 Fe0.14 Mg0.10)2 (Si3.25 Al0.75) O10 ((O H)1.96 F0.04)","","- Al2.27 F0.04 Fe0.28 H1.96 K0.95 Mg0.2 Na0.05 O11.96 Si3.25 -","- Al2.27 F0.04 Fe0.28 H1.96 K0.95 Mg0.2 Na0.05 O11.96 Si3.25 -","- Al9.08 F0.16 Fe1.12 H7.84 K3.8 Mg0.8 Na0.2 O47.84 Si13 -","4","0.5","","Mookherjee, M.; Redfern, S.A.T.; Zhang, M.","Thermal response of structure and hydroxyl ion of phengite-2M1: an in situ neutron diffraction and FTIR study","European Journal of Mineralogy (1,1989-)","2001","13","","545","555","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "1526035","6.6658","","6.7234","","12.3975","","90","","102.147","","90","","543.177","","","","","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","Nd2 (Si2 O7)","","- Nd2 O7 Si2 -","- Nd2 O7 Si2 -","- Nd8 O28 Si8 -","4","1","","Fleet, M.E.; Liu, X.-Y.","High-pressure rare earth disilicates REE2 Si2 O7 (REE = Nd, Sm, Eu,Gd): type K","Journal of Solid State Chemistry","2001","161","","166","172","","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00","" "1526036","6.6039","","6.6849","","12.3069","","90","","102.489","","90","","530.45","","","","","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","Sm2 (Si2 O7)","","- O7 Si2 Sm2 -","- O7 Si2 Sm2 -","- O28 Si8 Sm8 -","4","1","","Fleet, M.E.; Liu, X.-Y.","High-pressure rare earth disilicates REE2 Si2 O7 (REE = Nd, Sm, Eu,Gd): type K","Journal of Solid State Chemistry","2001","161","","166","172","","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00","" "1526037","6.5777","","6.6652","","12.2668","","90","","102.671","","90","","524.7","","","","","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","Eu2 (Si2 O7)","","- Eu2 O7 Si2 -","- Eu2 O7 Si2 -","- Eu8 O28 Si8 -","4","1","","Fleet, M.E.; Liu, X.-Y.","High-pressure rare earth disilicates REE2 Si2 O7 (REE = Nd, Sm, Eu, Gd): type K","Journal of Solid State Chemistry","2001","161","","166","172","","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00","" "1526039","6.5558","","6.6469","","12.2394","","90","","102.844","","90","","519.996","","","","","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","Gd2 (Si2 O7)","","- Gd2 O7 Si2 -","- Gd2 O7 Si2 -","- Gd8 O28 Si8 -","4","1","","Fleet, M.E.; Liu, X.-Y.","High-pressure rare earth disilicates REE2 Si2 O7 (REE = Nd, Sm, Eu, Gd): type K","Journal of Solid State Chemistry","2001","161","","166","172","","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00","" "1526041","26.419","","5.6466","","9.1385","","90","","90","","90","","1363.26","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","Na1.25 Ca2 Mn9 O18","","- Ca2 Mn9 Na1.25 O18 -","- Ca2 Mn9 Na1.25 O18 -","- Ca8 Mn36 Na5 O72 -","4","0.5","","Floros, N.; Raveau, B.; Michel, C.; Hervieu, M.","Calcium insertion in the Na4 Mn9 O18 tunnel structure: Na1.1 Ca1.8 Mn9 O18","Journal of Solid State Chemistry","2001","162","","34","41","","","","","","","","","","","","","","","","","","","","","","has coordinates","147144","2020-10-21","18:00:00","" "1526042","4.035","","4.035","","15.367","","90","","90","","90","","250.194","","","","","","","","","","","","","4","I 4/m m m","-I 4 2","139","","Tb (Ti0.85 Mo0.15) Ge","","- Ge Mo0.15 Tb Ti0.85 -","- Ge Mo0.15 Tb Ti0.85 -","- Ge4 Mo0.6 Tb4 Ti3.4 -","4","0.125","","Morozkin, A.V.; Kurbakov, A.I.; Klosek, V.; Welter, R.","Neutron diffraction study of Tb Ti0.85 Mo0.15 Ge compound","Journal of Alloys Compd.","2001","315","","100","103","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "1526044","5.3945","","5.5999","","11.7653","","90","","90","","90","","355.414","","","","","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","Ca2 (Ru O4)","","- Ca2 O4 Ru -","- Ca2 O4 Ru -","- Ca8 O16 Ru4 -","4","0.5","","Friedt, O.; Nakatsuji, S.; Andre, G.; Adelmann, P.; Braden, M.; Maeno, Y.","Structural and magnetic aspects of the metal-insulator transition in Ca2-x Srx Ru O4","Physical Review, Serie 3. B - Condensed Matter (18,1978-)","2001","63","","1744321","17443210","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "1526045","5.4207","","5.4802","","11.9395","","90","","90","","90","","354.681","","","","","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","(Ca1.9 Sr0.1) (Ru O4)","","- Ca1.9 O4 Ru Sr0.1 -","- Ca1.9 O4 Ru Sr0.1 -","- Ca7.6 O16 Ru4 Sr0.4 -","4","0.5","","Friedt, O.; Nakatsuji, S.; Andre, G.; Adelmann, P.; Braden, M.; Maeno, Y.","Structural and magnetic aspects of the metal-insulator transition in Ca2-x Srx Ru O4","Physical Review, Serie 3. B - Condensed Matter (18,1978-)","2001","63","","1744321","17443210","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "1526046","11.747","","11.747","","4.163","","90","","90","","120","","497.498","","","","","","","","","","","","","3","P 63/m","-P 6c","176","","Gd6 Co3 Si2","","- Co3 Gd6 Si2 -","- Co3.001 Gd6 Si1.999 -","- Co6.002 Gd12 Si3.998 -","2","0.166667","","Morozkin, A.V.; Klyamkin, S.N.; Sviridov, I.A.","New ternary (Ce6 Ni2 Si3)-type Sm6 (Co, Ni)2 Si3 compounds and their interaction with hydrogen","Journal of Alloys Compd.","2001","316","","236","238","","","","","","","","","","","","","","","","","","","","","","has coordinates","147149","2020-10-21","18:00:00","" "1526047","5.3304","","5.319","","12.4094","","90","","90","","90","","351.836","","","","","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","(Ca1.8 Sr0.2) (Ru O4)","","- Ca1.8 O4 Ru Sr0.2 -","- Ca1.8 O4 Ru Sr0.2 -","- Ca7.2 O16 Ru4 Sr0.8 -","4","0.5","","Friedt, O.; Braden, M.; Andre, G.; Adelmann, P.; Nakatsuji, S.; Maeno, Y.","Structural and magnetic aspects of the metal-insulator transition in Ca2-x Srx Ru O4","Physical Review, Serie 3. B - Condensed Matter (18,1978-)","2001","63","","1744321","17443210","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "1526048","11.859","","11.859","","4.194","","90","","90","","120","","510.805","","","","","","","","","","","","","3","P 63/m","-P 6c","176","","Sm6 Co2 Si3","","- Co2 Si3 Sm6 -","- Co1.999 Si3.001 Sm6 -","- Co3.998 Si6.002 Sm12 -","2","0.166667","","Morozkin, A.V.; Sviridov, I.A.; Klyamkin, S.N.","New ternary (Ce6 Ni2 Si3)-type Sm6 (Co, Ni)2 Si3 compounds and their interaction with hydrogen","Journal of Alloys Compd.","2001","316","","236","238","","","","","","","","","","","","","","","","","","","","","","has coordinates","147151","2020-10-21","18:00:00","" "1526049","5.3195","","5.3195","","25.1734","","90","","90","","90","","712.334","","","","","","","","","","","","","4","I 41/a c d :2","-I 4bd 2c","142","","(Ca1.5 Sr0.5) (Ru O4)","","- Ca1.5 O4 Ru Sr0.5 -","- Ca1.5 O4 Ru Sr0.5 -","- Ca12 O32 Ru8 Sr4 -","8","0.25","","Friedt, O.; Nakatsuji, S.; Braden, M.; Adelmann, P.; Andre, G.; Maeno, Y.","Structural and magnetic aspects of the metal-insulator transition in Ca2-x Srx Ru O4","Physical Review, Serie 3. B - Condensed Matter (18,1978-)","2001","63","","1744321","17443210","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "1526050","11.81","","11.81","","4.212","","90","","90","","120","","508.767","","","","","","","","","","","","","3","P 63/m","-P 6c","176","","Sm6 Ni2 Si3","","- Ni2 Si3 Sm6 -","- Ni1.999 Si3.001 Sm6 -","- Ni3.998 Si6.002 Sm12 -","2","0.166667","","Morozkin, A.V.; Klyamkin, S.N.; Sviridov, I.A.","New ternary (Ce6 Ni2 Si3)-type Sm6 (Co, Ni)2 Si3 compounds and their interaction with hydrogen","Journal of Alloys Compd.","2001","316","","236","238","","","","","","","","","","","","","","","","","","","","","","has coordinates","147153","2020-10-21","18:00:00","" "1526051","12.57","","12.57","","4.016","","90","","90","","120","","549.534","","","","","","","","","","","","","4","P 63/m","-P 6c","176","","Sm6 Ni2 Si3 H12","","- H12 Ni2 Si3 Sm6 -","- Ni1.999 Si3.001 Sm6 -","- Ni3.998 Si6.002 Sm12 -","2","0.166667","","Morozkin, A.V.; Klyamkin, S.N.; Sviridov, I.A.","New ternary (Ce6 Ni2 Si3)-type Sm6 (Co, Ni)2 Si3 compounds and their interaction with hydrogen","Journal of Alloys Compd.","2001","316","","236","238","","","","","","","","","","","","","","","","","","","","","","has coordinates","147154","2020-10-21","18:00:00","" "1526058","6.041","","6.041","","8.5802","","90","","90","","90","","313.123","","","","","","","","","","","","","5","I 4/m c m","-I 4 2c","140","","Ba (Pb0.7 Bi0.15 Sb0.15) O3","","- Ba Bi0.15 O3 Pb0.7 Sb0.15 -","- Ba Bi0.15 O3 Pb0.7 Sb0.15 -","- Ba4 Bi0.6 O12 Pb2.8 Sb0.6 -","4","0.125","","Fu, W.T.; Ijdo, D.J.W.","Crystal structure of superconducting Ba Pb0.7 Bi0.15 Sb0.15 O3","Solid State Communications","2001","118","","291","294","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "1526063","7.65","","10.336","","10.509","","114.34","","93.29","","107.53","","705.998","","","","","","","","","","","","","4","P 1","P 1","1","","(N D4)4 D2 (Se O4)3","","- D18 N4 O12 Se3 -","- D18 N4 O12 Se3 -","- D36 N8 O24 Se6 -","2","2","","Fukami, T.; Chen, R.H.","Structural phase transition and crystal structure for (N D4)4 D2 (Se O4)3 at low temperature","Acta Physica Polonica, A","2001","100","","53","65","","","","","","","","","","","","","","","","","","","","","","has coordinates","147169","2020-10-21","18:00:00","" "1526064","8.5548","","8.4808","","6.0118","","90","","134.806","","90","","309.458","","","","","","","","","","","","","3","C 1 2/m 1","-C 2y","12","","Ba Pb O3","","- Ba O3 Pb -","- Ba O3 Pb -","- Ba4 O12 Pb4 -","4","0.5","","Moussa, S.M.; Kennedy, B.J.; Vogt, T.","Structural variants in A B O3 type perovskite oxides. On the structure of Ba Pb O3","Solid State Communications","2001","119","","549","552","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "1526066","11.963","","9.133","","8.05","","90","","90","","90","","879.528","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","Y5 Ni0.38 Sb2.62","","- Ni0.38 Sb2.62 Y5 -","- Ni0.38 Sb2.62 Y5 -","- Ni1.52 Sb10.48 Y20 -","4","0.5","","Mozharivsky, Yu.; Franzen, H.F.","High-temperature modification of Y5 Sb3 and its ternary analogue Y5 Nix Sb3-x","Journal of Alloys Compd.","2001","319","","100","107","","","","","","","","","","","","","","","","","","","","","","has coordinates","147172","2020-10-21","18:00:00","" "1526067","12.694","","6.886","","13.161","","90","","110.58","","90","","1077","","","","","","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","(Zn I2) (C O (N H2)2)2","","- C2 H8 I2 N4 O2 Zn -","- C2 H8 I2 N4 O2 Zn -","- C8 H32 I8 N16 O8 Zn4 -","4","1","","Furmanova, N.G.; Resnyanskii, V.F.; Sulaimankulov, K.S.; Sulaimankulova, D.K.; Zhorobekova, Sh.Zh.","Crystal structure of a zinc iodide complex with urea: Zn I2 * 2(C O (N H2)2)","Kristallografiya","2001","46","","58","62","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "1526073","10.3322","","10.3322","","10.3322","","90","","90","","90","","1103.01","","","","","","","","","","","","","5","F d -3 m :2","-F 4vw 2vw 3","227","","Cu5.52 Si1.04 Fe4 Sn12 S32","","- Cu5.52 Fe4 S32 Si1.04 Sn12 -","- Cu5.52 Fe4 S32 Si1.04 Sn12 -","- Cu5.52 Fe4 S32 Si1.04 Sn12 -","1","0.00520833","","Garg, G.; Bobev, S.; Ganguli, A.K.; Roy, A.; Ghose, J.; Das, D.","A new silicon-doped cation-deficient thiospinel, Cu5.52(8) Si1.04(8) (vac)1.44 Fe4 Sn12 S32 : crystal structure, Mossbauer studies and electrical properties","Journal of Solid State Chemistry","2001","161","","327","331","","","","","","","","","","","","","","","","","","","","","","has coordinates","147179","2020-10-21","18:00:00","" "1526074","24.814","","18.458","","10.2575","","90","","90","","90","","4698.11","","","","","","","","","","","","","8","P 21 21 2","P 2 2ab","18","","(C6 H12 (N H2)2)2 Zn Ga7 (H P O4)2 (P O4)6 (O H) F4 (H2 O)3","","- C12 H41 F4 Ga7 N4 O36 P8 Zn -","- C12 F3.5 Ga7 N4 O36 P8 Zn -","- C48 F14 Ga28 N16 O144 P32 Zn4 -","4","1","","Mrak, M.; Zabukovec Logar, N.; Helliwell, M.; Ristic, A.; Kaucic, V.","Structure refinement of zinc containing gallophosphate with the ULM-5 structure","Acta Chimica Slovenica","2001","48","","147","158","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "1526077","4.1105","","15.8682","","3.9886","","90","","90","","90","","260.161","","","","","","","","","","","","","3","C m c m","-C 2c 2","63","","Tb Mn0.33 Ge2","","- Ge2 Mn0.33 Tb -","- Ge2 Mn0.33 Tb -","- Ge8 Mn1.32 Tb4 -","4","0.25","","Gil, A.; Hofmann, M.; Penc, B.; Szytula, A.","Magnetic structures and magnetic phase transition in Tb Mn0.33 Ge2","Journal of Alloys Compd.","2001","320","","29","32","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "1526081","4.334","","16.321","","8.717","","90","","90","","90","","616.599","","","","","","","","","","","","","3","I m m m","-I 2 2","71","","Tb Pt Ge2","","- Ge2 Pt Tb -","- Ge2 Pt Tb -","- Ge16 Pt8 Tb8 -","8","0.5","","Gil, A.; Penc, B.; Szytula, A.; Zygmunt, A.; Hofmann, M.","Magnetic properties and magnetic structures of R Pt Ge2 and R Ir Ge2 (R = Gd - Er) compounds","Journal of Alloys Compd.","2001","322","","21","36","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "1526083","4.315","","16.293","","8.71","","90","","90","","90","","612.35","","","","","","","","","","","","","3","I m m m","-I 2 2","71","","Dy Pt Ge2","","- Dy Ge2 Pt -","- Dy Ge2 Pt -","- Dy8 Ge16 Pt8 -","8","0.5","","Gil, A.; Zygmunt, A.; Penc, B.; Hofmann, M.; Szytula, A.","Magnetic properties and magnetic structures of R Pt Ge2 and R Ir Ge2 (R = Gd - Er) compounds","Journal of Alloys Compd.","2001","322","","21","36","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "1526084","4.273","","16.2","","8.662","","90","","90","","90","","599.606","","","","","","","","","","","","","3","I m m m","-I 2 2","71","","Er Pt Ge2","","- Er Ge2 Pt -","- Er Ge2 Pt -","- Er8 Ge16 Pt8 -","8","0.5","","Gil, A.; Penc, B.; Zygmunt, A.; Hofmann, M.; Szytula, A.","Magnetic properties and magnetic structures of R Pt Ge2 and R Ir Ge2 (R = Gd - Er) compounds","Journal of Alloys Compd.","2001","322","","21","36","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "1526085","4.2574","","15.9366","","8.8084","","90","","90","","90","","597.637","","","","","","","","","","","","","3","I m m m","-I 2 2","71","","Tb Ir Ge2","","- Ge2 Ir Tb -","- Ge2 Ir Tb -","- Ge16 Ir8 Tb8 -","8","0.5","","Gil, A.; Penc, B.; Zygmunt, A.; Hofmann, M.; Szytula, A.","Magnetic properties and magnetic structures of R Pt Ge2 and R Ir Ge2 (R = Gd - Er) compounds","Journal of Alloys Compd.","2001","322","","21","36","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "1526087","4.24","","15.969","","8.812","","90","","90","","90","","596.648","","","","","","","","","","","","","3","I m m m","-I 2 2","71","","Ho Ir Ge2","","- Ge2 Ho Ir -","- Ge2 Ho Ir -","- Ge16 Ho8 Ir8 -","8","0.5","","Gil, A.; Penc, B.; Hofmann, M.; Zygmunt, A.; Szytula, A.","Magnetic properties and magnetic structures of R Pt Ge2 and R Ir Ge2 (R = Gd - Er) compounds","Journal of Alloys Compd.","2001","322","","21","36","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "1526089","4.206","","15.836","","8.854","","90","","90","","90","","589.731","","","","","","","","","","","","","3","I m m m","-I 2 2","71","","Er Ir Ge2","","- Er Ge2 Ir -","- Er Ge2 Ir -","- Er8 Ge16 Ir8 -","8","0.5","","Gil, A.; Penc, B.; Hofmann, M.; Szytula, A.; Zygmunt, A.","Magnetic properties and magnetic structures of R Pt Ge2 and R Ir Ge2 (R = Gd - Er) compounds","Journal of Alloys Compd.","2001","322","","21","36","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "1526098","14.885","","14.885","","14.885","","90","","90","","90","","3297.97","","","","","","","","","","","","","4","P a -3","-P 2ac 2ab 3","205","","Cs3 (In3 P12 O36)","","- Cs3 In3 O36 P12 -","- Cs3 In3 O36 P12 -","- Cs12 In12 O144 P48 -","4","0.166667","","Murashova, E.V.; Chudinova, N.N.","Condensed cesium indium phosphates","Neorganicheskie Materialy","2001","37","","1521","1524","","","","","","","","","","","","","","","","","","","","","","has coordinates","147206","2020-10-21","18:00:00","" "1526101","10.1385","","10.1385","","10.1385","","90","","90","","90","","1042.13","","","","","","","","","","","","","4","F d -3 m :2","-F 4vw 2vw 3","227","","Y2 ((Ti1.605 Zr0.395) O6.76)","","- O6.76 Ti1.605 Y2 Zr0.395 -","- O6.763 Ti1.605 Y2 Zr0.395 -","- O54.104 Ti12.84 Y16 Zr3.16 -","8","0.0416667","","Glerup, M.; Poulsen, F.W.; Faurskov Nielsen, O.","The structural transformation from the pyrochlore structure, A2 B2 O7, to the fluorite structure, A O2, studied by Raman spectroscopy and defect chemistry modelling","Journal of Solid State Chemistry","2001","160","","25","32","","","","","","","","","","","","","","","","","","","","","","has coordinates","147210","2020-10-21","18:00:00","" "1526102","16.095","","16.095","","16.095","","90","","90","","90","","4169.39","","","","","","","","","","","","","3","P a -3","-P 2ac 2ab 3","205","","Sr3 (Ga2 O6)","","- Ga2 O6 Sr3 -","- Ga2 O6 Sr3 -","- Ga48 O144 Sr72 -","24","1","","Naganuma, J.; Matoba, M.","Crystal Structure and Magnetization of Perovskite-related Ga Oxides, Sr~3~(Ga~1-x~Mn~x~)~2~O~6~","Nippon Oyo Jiki Gakkaishi","2001","25","","719","722","10.3379/jmsjmag.25.719","","","","","","","","","","","","","","","","","","","","","has coordinates","176256","2020-10-21","18:00:00","" "1526103","10.2367","","10.2367","","10.2367","","90","","90","","90","","1072.7","","","","","","","","","","","","","4","F d -3 m :2","-F 4vw 2vw 3","227","","Y2 ((Ti0.923 Zr1.077) O6.75)","","- O6.75 Ti0.923 Y2 Zr1.077 -","- O6.747 Ti0.922 Y2 Zr1.078 -","- O53.976 Ti7.376 Y16 Zr8.624 -","8","0.0416667","","Glerup, M.; Faurskov Nielsen, O.; Poulsen, F.W.","The structural transformation from the pyrochlore structure, A2 B2 O7, to the fluorite structure, A O2, studied by Raman spectroscopy and defect chemistry modelling","Journal of Solid State Chemistry","2001","160","","25","32","","","","","","","","","","","","","","","","","","","","","","has coordinates","147212","2020-10-21","18:00:00","" "1526104","7.592","","7.592","","7.626","","90","","90","","90","","439.551","","","","","","","","","","","","","5","I -4 2 d","I -4 2bw","122","","(N H4) H2 (P O4)0.526 (As O4)0.474","","- As0.474 H6 N O4 P0.526 -","- As0.474 H6 N O4 P0.526 -","- As1.896 H24 N4 O16 P2.104 -","4","0.25","","Naili, H.; Mhiri, T.; Daoud, A.","Structural, vibrational and calorimetric study of a new ammonium dihydrogen phosphate-arsenate: N H4 H2 (P O4)0.52 (As O4)0.48","International Journal of Inorganic Materials","2001","4","","393","400","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "1526106","7.9403","","9.8218","","20.4244","","90","","90","","90","","1592.86","","","","","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","Rb H5 (As O4)2","","- As2 H5 O8 Rb -","- As2 H5 O8 Rb -","- As16 H40 O64 Rb8 -","8","1","","Naili, H.; Mhiri, T.","X-ray structural, vibrational and calorimetric studies of a new rubidium pentahydrogen arsenate Rb H5 (As O4)2","Journal of Alloys Compd.","2001","315","","143","149","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "1526108","6.8241","","7.0371","","9.107","","87.17","","87.62","","88.3","","436.258","","","","","","","","","","","","","4","P -1","-P 1","2","","Na Yb (P2 S6)","","- Na P2 S6 Yb -","- Na P2 S6 Yb -","- Na2 P4 S12 Yb2 -","2","1","","Goh, E.-Y.; Kim, E.-J.; Kim, S.-J.","Structure modification on quaternary rare earth thiophosphates: Na Yb P2 S6, Na Sm P2 S6 and K Sm P2 S7","Journal of Solid State Chemistry","2001","160","","195","204","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "1526109","4.925","","6.437","","7.928","","90","","107.316","","90","","239.944","","","","","","","","","","","","","5","P 1 21 1","P 2yb","4","","Cs H2 (P O4)0.72 (As O4)0.28","","- As0.28 Cs H2 O4 P0.72 -","- As0.279 Cs H2 O4 P0.721 -","- As0.558 Cs2 H4 O8 P1.442 -","2","1","","Naili, H.; Vendier, L.; Jaud, J.; Mhiri, T.","The influence of partial substitution of phosphorus by arsenic in monoclinic Cs H2 P O4. x-ray single crystal, vibrational and phase transitions in the mixed Cs H2 (P O4)0.72 (As O4)0.28","Solid State Sciences","2001","3","","677","687","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "1526110","11.0717","","7.2994","","11.579","","90","","111.3","","90","","871.856","","","","","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","Na Sm (P2 S6)","","- Na P2 S6 Sm -","- Na P2 S6 Sm -","- Na4 P8 S24 Sm4 -","4","1","","Goh, E.-Y.; Kim, E.-J.; Kim, S.-J.","Structure modification on quaternary rare earth thiophosphates: Na Yb P2 S6, Na Sm P2 S6 and K Sm P2 S7","Journal of Solid State Chemistry","2001","160","","195","204","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "1526111","8.981","","12.254","","9.6094","","90","","90.27","","90","","1057.53","","","","","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","K Sm (P2 S7)","","- K P2 S7 Sm -","- K P2 S7 Sm -","- K4 P8 S28 Sm4 -","4","1","","Goh, E.-Y.; Kim, E.-J.; Kim, S.-J.","Structure modification on quaternary rare earth thiophosphates: Na Yb P2 S6, Na Sm P2 S6 and K Sm P2 S7","Journal of Solid State Chemistry","2001","160","","195","204","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "1526112","9.5048","","12.4761","","7.6248","","90","","98.73","","90","","893.695","","","","","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Cd2 (Fe (C N)6) (H2 O)8","","- C6 H16 Cd2 Fe N6 O8 -","- C6 Cd2 Fe N6 O8 -","- C12 Cd4 Fe2 N12 O16 -","2","0.5","","Gomez, A.; Reguera, E.","The structure of three cadmium hexacyanometallates(II): Cd2 (Fe (C N)6) * 8(H2 O), Cd2 (Ru (C N)6) * 8(H2 O) and Cd2 (Os (C N)6) * 8(H2 O)","International Journal of Inorganic Materials","2001","3","","1045","1051","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "1526113","26.818","","26.818","","13.365","","90","","90","","90","","9612.18","","","","","","","","","","","","","3","P 42/n b c :2","-P 4ac 2b","133","","(Si O2)46 (C O2)6 (C H4)2","","- C8 O92 Si46 -","- C8 O92 Si46 -","- C32 O368 Si184 -","4","0.25","","Nakagawa, T.; Kihara, K.; Harada, K.","The crystal structure of low melanophlogite","American Mineralogist","2001","86","","1506","1512","","","","","","","","","","","","","","","","","","","","","","has coordinates","147224","2020-10-21","18:00:00","" "1526114","9.6208","","12.7016","","7.7512","","90","","98.94","","90","","935.686","","","","","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Cd2 (Ru (C N)6) (H2 O)8","","- C6 H16 Cd2 N6 O8 Ru -","- C6 Cd2 N6 O8 Ru -","- C12 Cd4 N12 O16 Ru2 -","2","0.5","","Gomez, A.; Reguera, E.","The structure of three cadmium hexacyanometallates(II): Cd2 (Fe (C N)6) * 8(H2 O), Cd2 (Ru (C N)6) * 8(H2 O) and Cd2 (Os (C N)6) * 8(H2 O)","International Journal of Inorganic Materials","2001","3","","1045","1051","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "1526115","4.31935","","4.31935","","4.31935","","90","","90","","90","","80.585","","","","","","","","","","","","","4","F m -3 m","-F 4 2 3","225","","(Ti1.333 V1.466 Mn1.2) D7.224","","- D7.224 Mn1.2 Ti1.333 V1.466 -","- D7.224 Mn1.2 Ti1.332 V1.468 -","- D7.224 Mn1.2 Ti1.332 V1.468 -","1","0.00520833","","Nakamura, Y.; Oikawa, K.I.; Kamiyama, T.; Akiba, E.","Crystal structure of two hydrides formed from a Ti - V - Mn BCC solid solution alloy studied by time-of-flight neutron powder diffraction - a Na Cl structure and a Ca F2 structure","Journal of Alloys Compd.","2001","316","","284","289","","","","","","","","","","","","","","","","","","","","","","has coordinates","147226","2020-10-21","18:00:00","" "1526116","9.6385","","12.7161","","7.7606","","90","","98.82","","90","","939.924","","","","","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Cd2 (Os (C N)6) (H2 O)8","","- C6 H16 Cd2 N6 O8 Os -","- C6 Cd2 N6 O8 Os -","- C12 Cd4 N12 O16 Os2 -","2","0.5","","Gomez, A.; Reguera, E.","The structure of three cadmium hexacyanometallates(II): Cd2 (Fe (C N)6) * 8(H2 O), Cd2 (Ru (C N)6) * 8(H2 O) and Cd2 (Os (C N)6) * 8(H2 O)","International Journal of Inorganic Materials","2001","3","","1045","1051","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "1526117","2.9188","","2.9188","","3.7685","","90","","90","","90","","32.105","","","","","","","","","","","","","4","I 4/m m m","-I 4 2","139","","(Ti0.667 V0.733 Mn0.6) D1.32","","- D1.32 Mn0.6 Ti0.667 V0.733 -","- D1.32 Mn0.6 Ti0.666 V0.734 -","- D1.32 Mn0.6 Ti0.666 V0.734 -","1","0.03125","","Nakamura, Y.; Oikawa, K.I.; Kamiyama, T.; Akiba, E.","Crystal structure of two hydrides formed from a Ti - V - Mn BCC solid solution alloy studied by time-of-flight neutron powder diffraction - a Na Cl structure and a Ca F2 structure","Journal of Alloys Compd.","2001","316","","284","289","","","","","","","","","","","","","","","","","","","","","","has coordinates","147228","2020-10-21","18:00:00","" "1526118","5.77944","","5.77944","","24.60871","","90","","90","","120","","711.854","","","","","","","","","","","","","3","P 63/m m c","-P 6c 2c","194","","","","- Ba Fe O2.654 -","- Ba Fe O2.6536 -","- Ba10 Fe10 O26.536 -","10","0.416667","","Gomez, M.I.; de Moran, J.A.; Lucotti, G.; Carbonio, R.E.; Aymonino, P.J.; Stephens, P.W.; Pagola, S.","Ab initio structure solution of Ba Fe O2.8-d, a new polytype in the system Ba Fe Oy (2.5<= y<= 3.0) prepared from the oxidative thermal decomposition of Ba Fe ((C N)5 N O) * 3(H2 O)","Journal of Solid State Chemistry","2001","160","","17","24","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00","" "1526119","12.781","","7.378","","11.643","","90","","100.53","","90","","1079.43","","","","","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","Er2 (Mn0.667 Mo1.333) O7","","- Er2 Mn0.667 Mo1.333 O7 -","- Er2 Mn0.6665 Mo1.3335 O7 -","- Er16 Mn5.332 Mo10.668 O56 -","8","1","","Nakano, H.; Kamegashira, N.","Microstructure of a complex oxide, Er2 Mn2/3 Mo4/3 O7, with a pyrochlore-related structure","Journal of the American Ceramic Society","2001","84","","1374","1378","","","","","","","","","","","","","","","","","","","","","","has coordinates","147230","2020-10-21","18:00:00","" "1526121","9.875","","16.375","","12.1875","","90","","96","","90","","1959.96","","","","","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","Co2 (Se8 (Re (C N))6) (H2 O)12","","- C6 H24 Co2 N6 O12 Re6 Se8 -","- C6 Co2 N6 O12 Re6 Se8 -","- C12 Co4 N12 O24 Re12 Se16 -","2","0.5","","Naumov, N.G.; Sokolov, M.N.; Imoto, H.; Saito, T.; Fedorov, V.E.","Synthesis and structure of Co2 (Re6 Se8 (C N)6) * 12(H2 O)","Zhurnal Strukturnoi Khimii (Issue-No. from 1981)","2001","42","","391","396","","","","","","","","","","","","","","","","","","","","","","has coordinates","147232","2020-10-21","18:00:00","" "1526122","10.1362","","5.899","","4.6944","","90","","90","","90","","280.694","","","","","","","","","","","","","5","P n m a","-P 2ac 2n","62","","(Li0.918 Fe0.027) Mg (P O4)","","- Fe0.027 Li0.918 Mg O4 P -","- Fe0.027 Li0.918 Mg O4 P -","- Fe0.108 Li3.672 Mg4 O16 P4 -","4","0.5","","Goni, A.; Lezama, L.; Pujana, A.; Arriortua, M.I.; Rojo, T.","Clustering of Fe(3+) in the Li1-3x Fex Mg P O4 (0< x <0.1) solid solution","International Journal of Inorganic Materials","2001","3","","937","942","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "1526124","10.1171","","5.8803","","4.7012","","90","","90","","90","","279.682","","","","","","","","","","","","","5","P n m a","-P 2ac 2n","62","","(Li0.758 Fe0.081) Mg (P O4)","","- Fe0.081 Li0.758 Mg O4 P -","- Fe0.081 Li0.758 Mg O4 P -","- Fe0.324 Li3.032 Mg4 O16 P4 -","4","0.5","","Goni, A.; Rojo, T.; Lezama, L.; Pujana, A.; Arriortua, M.I.","Clustering of Fe(3+) in the Li1-3x Fex Mg P O4 (0< x <0.1) solid solution","International Journal of Inorganic Materials","2001","3","","937","942","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "1526131","3.8334","","3.8334","","11.4783","","90","","90","","90","","168.673","","","","","","","","","","","","","7","P 4/m m m","-P 4 2","123","","(Y0.8 Ca0.2) Sr Ba Cu2.8 (P O4)0.2 O7","","- Ba Ca0.2 Cu2.8 O7.8 P0.2 Sr Y0.8 -","- Ba Ca0.2 Cu2.8 O7.8 P0.2 Sr Y0.8 -","- Ba Ca0.2 Cu2.8 O7.8 P0.2 Sr Y0.8 -","1","0.0625","","Gonzalez Gonzalez, J.C.; Landinez Tellez, D.A.; Albino Aguiar, J.; Bustamante Dominguez, A.","Structural refinement of (Y1-x Cax) Sr Ba Cu2.80 (P O4)0.20 Oy","Physica C (Amsterdam)","2001","354","","375","378","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "1526133","3.8312","","3.8312","","11.503","","90","","90","","90","","168.842","","","","","","","","","","","","","7","P 4/m m m","-P 4 2","123","","(Y0.75 Ca0.25) Sr Ba Cu2.8 (P O4)0.2 O7","","- Ba Ca0.25 Cu2.8 O7.8 P0.2 Sr Y0.75 -","- Ba Ca0.25 Cu2.8 O7.8 P0.2 Sr Y0.75 -","- Ba Ca0.25 Cu2.8 O7.8 P0.2 Sr Y0.75 -","1","0.0625","","Gonzalez Gonzalez, J.C.; Landinez Tellez, D.A.; Albino Aguiar, J.; Bustamante Dominguez, A.","Structural refinement of (Y1-x Cax) Sr Ba Cu2.80 (P O4)0.20 Oy","Physica C (Amsterdam)","2001","354","","375","378","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "1526134","4.9018","","4.9018","","10.516","","90","","90","","90","","252.675","","","","","","","","","","","","","3","I 41/a m d :2","-I 4bd 2","141","","Ca1.998 N1.053 F0.996","","- Ca1.998 F0.996 N1.053 -","- Ca1.9984 F0.996 N1.053 -","- Ca7.9936 F3.984 N4.212 -","4","0.125","","Nicklow, R.A.; Wagner, T.R.; Raymond, C.C.","Preparation and single-crystal structure analysis of Ca2 N F","Journal of Solid State Chemistry","2001","160","","134","138","","","","","","","","","","","","","","","","","","","","","","has coordinates","147249","2020-10-21","18:00:00","" "1526135","3.8351","","3.8351","","11.543","","90","","90","","90","","169.774","","","","","","","","","","","","","7","P 4/m m m","-P 4 2","123","","(Y0.6 Ca0.4) Sr Ba Cu2.8 (P O4)0.2 O7","","- Ba Ca0.4 Cu2.8 O7.8 P0.2 Sr Y0.6 -","- Ba Ca0.4 Cu2.8 O7.8 P0.2 Sr Y0.6 -","- Ba Ca0.4 Cu2.8 O7.8 P0.2 Sr Y0.6 -","1","0.0625","","Gonzalez Gonzalez, J.C.; Bustamante Dominguez, A.; Albino Aguiar, J.; Landinez Tellez, D.A.","Structural refinement of (Y1-x Cax) Sr Ba Cu2.80 (P O4)0.20 Oy","Physica C (Amsterdam)","2001","354","","375","378","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "1526136","4.1725","","4.1725","","16.429","","90","","90","","90","","286.025","","","","","","","","","","","","","4","P 4/m m m","-P 4 2","123","","Ba3 (Nb4.8 Zr1.2) O12","","- Ba3 Nb4.8 O12 Zr1.2 -","- Ba3 Nb4.8 O12 Zr1.2 -","- Ba3 Nb4.8 O12 Zr1.2 -","1","0.0625","","Nilsson, G.; Svensson, G.","X-ray powder diffraction and high-resolution electron microscopy studies of new intergrowth compounds between Ba (Nb, Zr) O3 and Nb O","Journal of Alloys Compd.","2001","314","","67","77","","","","","","","","","","","","","","","","","","","","","","has coordinates","147251","2020-10-21","18:00:00","" "1526137","14.764","","7.561","","7.763","","90","","90","","93.01","","865.393","","","","","","","","","","","","","4","P 1 1 21/b","-P 2bc","14","","Dy Gd4 Si2 Ge2","","- Dy Gd4 Ge2 Si2 -","- Dy Gd4 Ge2 Si2 -","- Dy4 Gd16 Ge8 Si8 -","4","1","","Nirmala, R.; Sankaranarayanan, V.; Sethupathi, K.; Morozkin, A.V.","Magnetism in Dy Gd4 Si2 Ge2","Journal of Alloys Compd.","2001","326","","174","176","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "1526143","3.6789","","3.6789","","3.7717","","90","","90","","120","","44.208","","","","","","","","","","","","","3","P 6/m m m","-P 6 2","191","","(Li0.572 Cu0.428) Li2 N","","- Cu0.428 Li2.572 N -","- Cu0.428 Li2.572 N -","- Cu0.428 Li2.572 N -","1","0.0416667","","Gordon, A.G.; Gregory, D.H.; Blake, A.J.; Weston, D.P.; Jones, M.O.","Ternary lithium nitridocuprates, Li3-x-y Cux N : crystal growth, bulk synthesis, structure and magnetic properties","International Journal of Inorganic Materials","2001","3","","973","981","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "1526146","11.4935","","11.4935","","20.99","","90","","90","","120","","2401.31","","","","","","","","","","","","","4","P -3","-P 3","147","","Sr1.143 (Ti0.857 Fe0.143) S3","","- Fe0.143 S3 Sr1.143 Ti0.857 -","- Fe0.14619 S3 Sr1.14286 Ti0.85381 -","- Fe3.07 S63 Sr24 Ti17.93 -","21","3.5","","Gourdon, O.; Whangbo Myunghwan; Evain, M.; Jeanneau, E.; Brec, R.; Jobic, S.; Koo, H.-J.","Influence of metal-metal sigma bonding on the structures and physical properties of the hexagonal perovskite-type sulfides Sr9/8 Ti S3, Sr8/7 Ti S3 and Sr8/7 (Ti6/7 Fe1/7) S3","Journal of Solid State Chemistry","2001","162","","103","112","","","","","","","","","","","","","","","","","","","","","","has coordinates","147264","2020-10-21","18:00:00","" "1526148","8.709","","9.187","","17.397","","90","","104.26","","90","","1349.04","","","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Ce Sb S2 Br2","","- Br2 Ce S2 Sb -","- Br2 Ce S2 Sb -","- Br16 Ce8 S16 Sb8 -","8","2","","Gout, D.; Jobic, S.; Evain, M.; Brec, R.","New antimony lanthanide disulfide dibromides Ln Sb S2 Br2 (Ln = La, Ce): crystal and electronic structures and optical properties","Journal of Solid State Chemistry","2001","158","","218","226","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "1526150","8.739","","9.219","","17.41","","90","","104.3","","90","","1359.17","","","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(La0.5 Ce0.5) Sb S2 Br2","","- Br2 Ce0.5 La0.5 S2 Sb -","- Br2 Ce0.5 La0.5 S2 Sb -","- Br16 Ce4 La4 S16 Sb8 -","8","2","","Gout, D.; Jobic, S.; Evain, M.; Brec, R.","New antimony lanthanide disulfide dibromides Ln Sb S2 Br2 (Ln = La, Ce): crystal and electronic structures and optical properties","Journal of Solid State Chemistry","2001","158","","218","226","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "1526152","8.785","","9.236","","17.372","","90","","104.09","","90","","1367.13","","","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","La Sb S2 Br2","","- Br2 La S2 Sb -","- Br2 La S2 Sb -","- Br16 La8 S16 Sb8 -","8","2","","Gout, D.; Jobic, S.; Evain, M.; Brec, R.","New antimony lanthanide disulfide dibromides Ln Sb S2 Br2 (Ln = La, Ce): crystal and electronic structures and optical properties","Journal of Solid State Chemistry","2001","158","","218","226","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "1526153","18.756","","18.756","","18.756","","90","","90","","90","","6598.13","","","","","","","","","","","","","2","F -4 3 m","F -4 2 3","216","","Li21.1875 Ge5","","- Ge5 Li21.1875 -","- Ge5 Li21.1875 -","- Ge80 Li339 -","16","0.166667","","Goward, G.R.; Taylor, N.J.; Souza, D.C.S.; Nazar, L.","The true crystal structure of Li17 M4 (M = Ge, Sn, Pb) - revised from Li22 M5","Journal of Alloys Compd.","2001","329","","82","91","","","","","","","","","","","","","","","","","","","","","","has coordinates","147272","2020-10-21","18:00:00","" "1526154","9.4956","","3.9742","","7.0425","","90","","104.7","","90","","257.067","","","","","","","","","","","","","3","P 1 2/c 1","-P 2yc","13","","Bi4 (Bi0.86 La1.14) O9","","- Bi4.86 La1.14 O9 -","- Bi4.86 La1.14 O9 -","- Bi4.86 La1.14 O9 -","1","0.25","","Obbade, S.; Drache, M.; Suard, E.; Conflant, P.","Ab initio determination of Bi4.86 La1.14 O9 monoclinic structure from powder neutron diffraction data. Characterization of the related solid solution","Journal of Solid State Chemistry","2001","162","","10","19","","","","","","","","","","","","","","","","","","","","","","has coordinates","147275","2020-10-21","18:00:00","" "1526155","9.547","","9.547","","6.991","","90","","90","","120","","551.828","","","","","","","","","","","","","14","P 63","P 6c","173","","(Ca4.79 (Y0.250 La1.134 Ce2.185 Pr0.218 Nd0.583) Th0.72 U0.12) ((Si5.57 P0.25 B0.16) O24) (O H)0.23 F1.77","","- B0.16 Ca4.79 Ce2.185 F1.77 H0.23 La1.134 Nd0.583 O24.23 P0.25 Pr0.218 Si5.57 Th0.72 U0.12 Y0.25 -","- B0.1602 Ca4.792 Ce2.184 F1.77 La1.134 Nd0.582 O24.23 P0.2502 Pr0.216 Si5.568 Th0.72 U0.12 Y0.252 -","- B0.1602 Ca4.792 Ce2.184 F1.77 La1.134 Nd0.582 O24.23 P0.2502 Pr0.216 Si5.568 Th0.72 U0.12 Y0.252 -","1","0.166667","","Oberti, R.; della Ventura, G.; Ottolini, L.; Parodi, G.C.","On the symmetry and crystal chemistry of britholite: new structural and microanalytical data","American Mineralogist","2001","86","","1066","1075","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "1526156","9.682","","9.682","","7.066","","90","","90","","120","","573.633","","","","","","","","","","","","","11","P 63","P 6c","173","","Na0.98 Ca2.01 (La2.959 Ce3.378 Nd0.429 Pr0.204) (Si5.07 P0.75) O24 ((O H)0.53 F1.47)","","- Ca2.01 Ce3.378 F1.47 H0.53 La2.959 Na0.98 Nd0.429 O24.53 P0.75 Pr0.204 Si5.07 -","- Ca2.01 Ce3.378 F1.47 La2.958 Na0.98 Nd0.43 O24.53 P0.75 Pr0.202 Si5.07 -","- Ca2.01 Ce3.378 F1.47 La2.958 Na0.98 Nd0.43 O24.53 P0.75 Pr0.202 Si5.07 -","1","0.166667","","Oberti, R.; Ottolini, L.; Parodi, G.C.; della Ventura, G.","On the symmetry and crystal chemistry of britholite: new structural and microanalytical data","American Mineralogist","2001","86","","1066","1075","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "1526157","5.402","","5.402","","3.9587","","90","","90","","90","","115.521","","","","","","","","","","","","","3","P 4/m b m","-P 4 2ab","127","","La B2 C2","","- C2 B2 La -","- C2 B2 La -","- C4 B4 La2 -","2","0.125","","Ohoyama, K.; Kaneko, K.; Indoh, K.; Yamauchi, H.; Onodera, H.; Tobo, A.; Yamaguchi, Y.","Systematic study on crystal structures in tetragonal R B2 C2 (R = rare earth) compounds","Journal of the Physical Society of Japan","2001","70","","3291","3295","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "1526159","5.3903","","5.3903","","3.86","","90","","90","","90","","112.154","","","","","","","","","","","","","3","P 4/m b m","-P 4 2ab","127","","Ce B2 C2","","- C2 B2 Ce -","- C2 B2 Ce -","- C4 B4 Ce2 -","2","0.125","","Ohoyama, K.; Kaneko, K.; Indoh, K.; Onodera, H.; Tobo, A.; Yamauchi, H.; Yamaguchi, Y.","Systematic study on crystal structures in tetragonal R B2 C2 (R = rare earth) compounds","Journal of the Physical Society of Japan","2001","70","","3291","3295","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "1526160","12.726","","7.38","","42.358","","90","","95.77","","90","","3958.02","","","","","","","","","","","","","3","C 1 2 1","C 2y","5","","Ca2 (Ta2 O7)","","- Ca2 O7 Ta2 -","- Ca2 O7 Ta2 -","- Ca56 O196 Ta56 -","28","7","","Grey, I.E.; Planes, J.; Roth, R.S.; Mumme, W.G.; Chenavas, J.; Bendersky, L.A.; Li, C.","Characterization of new 5M and 7M polytypes of niobia-doped Ca2 Ta2 O7","Journal of Solid State Chemistry","2001","161","","274","287","","","","","","","","","","","","","","","","","","","","","","has coordinates","147289","2020-10-21","18:00:00","" "1526161","5.3846","","5.3846","","3.8172","","90","","90","","90","","110.676","","","","","","","","","","","","","3","P 4/m b m","-P 4 2ab","127","","Pr B2 C2","","- C2 B2 Pr -","- C2 B2 Pr -","- C4 B4 Pr2 -","2","0.125","","Ohoyama, K.; Kaneko, K.; Yamauchi, H.; Indoh, K.; Tobo, A.; Onodera, H.; Yamaguchi, Y.","Systematic study on crystal structures in tetragonal R B2 C2 (R = rare earth) compounds","Journal of the Physical Society of Japan","2001","70","","3291","3295","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "1526162","12.717","","7.3728","","42.464","","90","","95.755","","90","","3961.35","","","","","","","","","","","","","4","C 1 2 1","C 2y","5","","Ca2 (Ta1.9 Nb0.1) O7","","- Ca2 Nb0.1 O7 Ta1.9 -","- Ca2 Nb0.1 O7 Ta1.9 -","- Ca56 Nb2.8 O196 Ta53.2 -","28","7","","Grey, I.E.; Chenavas, J.; Mumme, W.G.; Roth, R.S.; Bendersky, L.A.; Planes, J.; Li, C.","Characterization of new 5M and 7M polytypes of niobia-doped Ca2 Ta2O7","Journal of Solid State Chemistry","2001","161","","274","287","","","","","","","","","","","","","","","","","","","","","","has coordinates","147291","2020-10-21","18:00:00","" "1526163","5.355","","5.355","","3.5888","","90","","90","","90","","102.913","","","","","","","","","","","","","3","P 4/m b m","-P 4 2ab","127","","Tb B2 C2","","- C2 B2 Tb -","- C2 B2 Tb -","- C4 B4 Tb2 -","2","0.125","","Ohoyama, K.; Kaneko, K.; Indoh, K.; Yamauchi, H.; Tobo, A.; Yamaguchi, Y.; Onodera, H.","Systematic study on crystal structures in tetragonal R B2 C2 (R = rare earth) compounds","Journal of the Physical Society of Japan","2001","70","","3291","3295","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "1526164","12.7528","","7.3492","","30.2442","","90","","94.245","","90","","2826.8","","","","","","","","","","","","","4","C 1 2 1","C 2y","5","","Ca2 (Ta1.8 Nb0.2) O7","","- Ca2 Nb0.2 O7 Ta1.8 -","- Ca2 Nb0.2 O7 Ta1.8 -","- Ca40 Nb4 O140 Ta36 -","20","5","","Grey, I.E.; Roth, R.S.; Li, C.; Mumme, W.G.; Planes, J.; Bendersky, L.A.; Chenavas, J.","Characterization of new 5M and 7M polytypes of niobia-doped Ca2 Ta2O7","Journal of Solid State Chemistry","2001","161","","274","287","","","","","","","","","","","","","","","","","","","","","","has coordinates","147293","2020-10-21","18:00:00","" "1526165","5.3437","","5.3437","","3.5572","","90","","90","","90","","101.576","","","","","","","","","","","","","3","P 4/m b m","-P 4 2ab","127","","Dy B2 C2","","- C2 B2 Dy -","- C2 B2 Dy -","- C4 B4 Dy2 -","2","0.125","","Ohoyama, K.; Onodera, H.; Indoh, K.; Kaneko, K.; Tobo, A.; Yamauchi, H.; Yamaguchi, Y.","Systematic study on crystal structures in tetragonal R B2 C2 (R = rare earth) compounds","Journal of the Physical Society of Japan","2001","70","","3291","3295","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "1526166","13.027","","7.377","","7.58","","90","","90","","90","","728.439","","","","","","","","","","","","","3","I m m a","-I 2b 2","74","","","","- Ce3 Pd5 Si -","- Ce3 Pd5 Si -","- Ce12 Pd20 Si4 -","4","0.25","","Gribanov, A.V.; Seropegin, Yu.D.; Kubarev, O.L.; Aksel'rud, L.G.; Bodak, O.I.","New ternary silicide of cerium and palladium Ce3 Pd5 Si","Journal of Alloys Compd.","2001","317","","324","326","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00","" "1526167","5.3414","","5.3414","","3.5361","","90","","90","","90","","100.887","","","","","","","","","","","","","3","P 4/m b m","-P 4 2ab","127","","Ho B2 C2","","- C2 B2 Ho -","- C2 B2 Ho -","- C4 B4 Ho2 -","2","0.125","","Ohoyama, K.; Onodera, H.; Kaneko, K.; Yamauchi, H.; Indoh, K.; Tobo, A.; Yamaguchi, Y.","Systematic study on crystal structures in tetragonal R B2 C2 (R = rare earth) compounds","Journal of the Physical Society of Japan","2001","70","","3291","3295","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "1526169","5.3329","","5.3329","","3.5065","","90","","90","","90","","99.724","","","","","","","","","","","","","3","P 4/m b m","-P 4 2ab","127","","Er B2 C2","","- C2 B2 Er -","- C2 B2 Er -","- C4 B4 Er2 -","2","0.125","","Ohoyama, K.; Tobo, A.; Indoh, K.; Kaneko, K.; Onodera, H.; Yamauchi, H.; Yamaguchi, Y.","Systematic study on crystal structures in tetragonal R B2 C2 (R = rare earth) compounds","Journal of the Physical Society of Japan","2001","70","","3291","3295","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "1526170","5.3265","","5.3265","","3.4743","","90","","90","","90","","98.571","","","","","","","","","","","","","3","P 4/m b m","-P 4 2ab","127","","Tm B2 C2","","- C2 B2 Tm -","- C2 B2 Tm -","- C4 B4 Tm2 -","2","0.125","","Ohoyama, K.; Onodera, H.; Kaneko, K.; Indoh, K.; Tobo, A.; Yamauchi, H.; Yamaguchi, Y.","Systematic study on crystal structures in tetragonal R B2 C2 (R = rare earth) compounds","Journal of the Physical Society of Japan","2001","70","","3291","3295","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "1526171","6.839","","6.839","","5.745","","90","","90","","120","","232.705","","","","","","","","","","","","","3","P 63/m m c","-P 6c 2c","194","","","","- Ba Nb0.89 S3 -","- Ba Nb0.892 S3 -","- Ba2 Nb1.784 S6 -","2","0.0833333","","Grippa, A.Yu.; Abakumov, A.M.; D'yachenko, O.G.; Antipov, E.V.","Crystal structure of Ba Nb0.9 S3 single crystals","Kristallografiya","2001","46","","423","426","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00","" "1526172","5.3212","","5.3212","","3.4471","","90","","90","","90","","97.605","","","","","","","","","","","","","3","P 4/m b m","-P 4 2ab","127","","Lu B2 C2","","- C2 B2 Lu -","- C2 B2 Lu -","- C4 B4 Lu2 -","2","0.125","","Ohoyama, K.; Kaneko, K.; Onodera, H.; Indoh, K.; Yamauchi, H.; Tobo, A.; Yamaguchi, Y.","Systematic study on crystal structures in tetragonal R B2 C2 (R = rare earth) compounds","Journal of the Physical Society of Japan","2001","70","","3291","3295","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "1526173","8.39248","","8.39248","","8.39248","","90","","90","","90","","591.114","","","","","","","","","","","","","4","F d -3 m :2","-F 4vw 2vw 3","227","","(Li0.47 Fe0.29 Mn0.23) (Fe0.42 Mn1.55) O4","","- Fe0.71 Li0.47 Mn1.78 O4 -","- Fe0.71 Li0.47 Mn1.78 O4 -","- Fe5.68 Li3.76 Mn14.24 O32 -","8","0.0416667","","Grygar, T.; Bezdicka, P.; Vorm, P.; Jordanova, N.; Krtil, P.","Spinel solid solutions in the Li - Fe - Mn - O system","Journal of Solid State Chemistry","2001","161","","152","160","","","","","","","","","","","","","","","","","","","","","","has coordinates","147303","2020-10-21","18:00:00","" "1526174","12.131","","22.271","","3.819","","90","","90","","90","","1031.78","","","","","","","","","","","","","4","P b a m","-P 2 2ab","55","","Ba3.87 Sm9.4 Ti18 O54","","- Ba3.87 O54 Sm9.4 Ti18 -","- Ba3.872 O54 Sm9.4 Ti18 -","- Ba3.872 O54 Sm9.4 Ti18 -","1","0.125","","Ohsato, H.","Science of tungstenbronze-type like Ba6-3x R8+2x Ti18 O54 (R = rare earth) microwave dielectric solid solutions","Journal of the European Ceramic Society","2001","21","","2703","2711","","","","","","","","","","","","","","","","","","","","","","has coordinates","147304","2020-10-21","18:00:00","" "1526175","8.38884","","8.38884","","8.38884","","90","","90","","90","","590.345","","","","","","","","","","","","","4","F d -3 m :2","-F 4vw 2vw 3","227","","(Li0.37 Fe0.50 Mn0.12) (Li0.06 Fe0.73 Mn1.19) O4","","- Fe1.23 Li0.43 Mn1.31 O4 -","- Fe1.23 Li0.43 Mn1.31 O4 -","- Fe9.84 Li3.44 Mn10.48 O32 -","8","0.0416667","","Grygar, T.; Bezdicka, P.; Krtil, P.; Vorm, P.; Jordanova, N.","Spinel solid solutions in the Li - Fe - Mn - O system","Journal of Solid State Chemistry","2001","161","","152","160","","","","","","","","","","","","","","","","","","","","","","has coordinates","147305","2020-10-21","18:00:00","" "1526177","8.36851","","8.36851","","8.36851","","90","","90","","90","","586.063","","","","","","","","","","","","","4","F d -3 m :2","-F 4vw 2vw 3","227","","(Li0.42 Fe0.49 Mn0.08) (Li0.07 Fe0.7 Mn1.19) O4","","- Fe1.19 Li0.49 Mn1.27 O4 -","- Fe1.19 Li0.489 Mn1.271 O4 -","- Fe9.52 Li3.912 Mn10.168 O32 -","8","0.0416667","","Grygar, T.; Jordanova, N.; Bezdicka, P.; Krtil, P.; Vorm, P.","Spinel solid solutions in the Li - Fe - Mn - O system","Journal of Solid State Chemistry","2001","161","","152","160","","","","","","","","","","","","","","","","","","","","","","has coordinates","147307","2020-10-21","18:00:00","" "1526179","8.36576","","8.36576","","8.36576","","90","","90","","90","","585.486","","","","","","","","","","","","","4","F d -3 m :2","-F 4vw 2vw 3","227","","(Li0.33 Fe0.59 Mn0.07) (Li0.21 Fe0.86 Mn0.95) O4","","- Fe1.45 Li0.54 Mn1.02 O4 -","- Fe1.449 Li0.539 Mn1.02 O4 -","- Fe11.592 Li4.312 Mn8.16 O32 -","8","0.0416667","","Grygar, T.; Vorm, P.; Bezdicka, P.; Krtil, P.; Jordanova, N.","Spinel solid solutions in the Li - Fe - Mn - O system","Journal of Solid State Chemistry","2001","161","","152","160","","","","","","","","","","","","","","","","","","","","","","has coordinates","147309","2020-10-21","18:00:00","" "1526180","5.514","","4.8761","","11.7961","","90","","90","","90","","317.16","","","","","","","","","","","","","3","P n a 21","P 2c -2n","33","","Sb (Sb0.5 Nb0.5) O4","","- Nb0.5 O4 Sb1.5 -","- Nb0.5 O4 Sb1.5 -","- Nb2 O16 Sb6 -","4","1","","Ok, K.M.; Bhuvanesh, N.S.P.; Halasyamani, P.S.","Sb Sbx M1-x O4 (M = Nb(V) or Ta(V)): solid solution behavior and second-harmonic generating properties","Journal of Solid State Chemistry","2001","161","","57","62","","","","","","","","","","","","","","","","","","","","","","has coordinates","147310","2020-10-21","18:00:00","" "1526181","8.19547","","8.19547","","8.19547","","90","","90","","90","","550.455","","","","","","","","","","","","","4","F d -3 m :2","-F 4vw 2vw 3","227","","Li (Fe0.16 Mn1.77) O4","","- Fe0.16 Li Mn1.77 O4 -","- Fe0.16 Li Mn1.77 O4 -","- Fe1.28 Li8 Mn14.16 O32 -","8","0.0416667","","Grygar, T.; Bezdicka, P.; Vorm, P.; Jordanova, N.; Krtil, P.","Spinel solid solutions in the Li - Fe - Mn - O system","Journal of Solid State Chemistry","2001","161","","152","160","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "1526182","5.5019","","4.8762","","11.8038","","90","","90","","90","","316.677","","","","","","","","","","","","","3","P n a 21","P 2c -2n","33","","Sb (Sb0.5 Ta0.5) O4","","- O4 Sb1.5 Ta0.5 -","- O4 Sb1.5 Ta0.5 -","- O16 Sb6 Ta2 -","4","1","","Ok, K.M.; Bhuvanesh, N.S.P.; Halasyamani, P.S.","Sb Sbx M1-x O4 (M = Nb(V) or Ta(V)): solid solution behavior and second-harmonic generating properties","Journal of Solid State Chemistry","2001","161","","57","62","","","","","","","","","","","","","","","","","","","","","","has coordinates","147312","2020-10-21","18:00:00","" "1526183","8.25895","","8.25895","","8.25895","","90","","90","","90","","563.345","","","","","","","","","","","","","4","F d -3 m :2","-F 4vw 2vw 3","227","","(Li0.94 Fe0.06) (Fe0.31 Mn1.7) O4","","- Fe0.37 Li0.94 Mn1.7 O4 -","- Fe0.37 Li0.94 Mn1.7 O4 -","- Fe2.96 Li7.52 Mn13.6 O32 -","8","0.0416667","","Grygar, T.; Bezdicka, P.; Vorm, P.; Krtil, P.; Jordanova, N.","Spinel solid solutions in the Li - Fe - Mn - O system","Journal of Solid State Chemistry","2001","161","","152","160","","","","","","","","","","","","","","","","","","","","","","has coordinates","147313","2020-10-21","18:00:00","" "1526185","8.3087","","8.3087","","8.3087","","90","","90","","90","","573.587","","","","","","","","","","","","","4","F d -3 m :2","-F 4vw 2vw 3","227","","(Li0.66 Fe0.18 Mn0.14) (Fe0.25 Mn1.71) O4","","- Fe0.43 Li0.66 Mn1.85 O4 -","- Fe0.43 Li0.66 Mn1.85 O4 -","- Fe3.44 Li5.28 Mn14.8 O32 -","8","0.0416667","","Grygar, T.; Bezdicka, P.; Vorm, P.; Krtil, P.; Jordanova, N.","Spinel solid solutions in the Li - Fe - Mn - O system","Journal of Solid State Chemistry","2001","161","","152","160","","","","","","","","","","","","","","","","","","","","","","has coordinates","147315","2020-10-21","18:00:00","" "1526186","8.26215","","8.26215","","8.26215","","90","","90","","90","","564","","","","","","","","","","","","","4","F d -3 m :2","-F 4vw 2vw 3","227","","(Li0.8 Fe0.18) (Fe0.44 Mn1.52) O4","","- Fe0.62 Li0.8 Mn1.52 O4 -","- Fe0.62 Li0.8 Mn1.52 O4 -","- Fe4.96 Li6.4 Mn12.16 O32 -","8","0.0416667","","Grygar, T.; Bezdicka, P.; Jordanova, N.; Vorm, P.; Krtil, P.","Spinel solid solutions in the Li - Fe - Mn - O system","Journal of Solid State Chemistry","2001","161","","152","160","","","","","","","","","","","","","","","","","","","","","","has coordinates","147317","2020-10-21","18:00:00","" "1526188","8.31609","","8.31609","","8.31609","","90","","90","","90","","575.119","","","","","","","","","","","","","4","F d -3 m :2","-F 4vw 2vw 3","227","","(Li0.7 Fe0.27 Mn0.01) (Fe0.38 Mn1.59) O4","","- Fe0.65 Li0.7 Mn1.6 O4 -","- Fe0.651 Li0.7 Mn1.599 O4 -","- Fe5.208 Li5.6 Mn12.792 O32 -","8","0.0416667","","Grygar, T.; Bezdicka, P.; Vorm, P.; Krtil, P.; Jordanova, N.","Spinel solid solutions in the Li - Fe - Mn - O system","Journal of Solid State Chemistry","2001","161","","152","160","","","","","","","","","","","","","","","","","","","","","","has coordinates","147319","2020-10-21","18:00:00","" "1526190","8.244","","8.244","","8.244","","90","","90","","90","","560.291","","","","","","","","","","","","","4","F d -3 m :2","-F 4vw 2vw 3","227","","(Li0.94 Fe0.04) (Fe0.55 Mn1.42) O4","","- Fe0.59 Li0.94 Mn1.42 O4 -","- Fe0.59 Li0.94 Mn1.42 O4 -","- Fe4.72 Li7.52 Mn11.36 O32 -","8","0.0416667","","Grygar, T.; Bezdicka, P.; Vorm, P.; Jordanova, N.; Krtil, P.","Spinel solid solutions in the Li - Fe - Mn - O system","Journal of Solid State Chemistry","2001","161","","152","160","","","","","","","","","","","","","","","","","","","","","","has coordinates","147321","2020-10-21","18:00:00","" "1526191","7.0079","","7.029","","7.0308","","68.893","","73.196","","60.149","","277.63","","","","","","","","","","","","","3","P -1","-P 1","2","","","","- Mo8.58 Ni7.42 P6 -","- Mo8.582 Ni7.418 P6 -","- Mo8.582 Ni7.418 P6 -","1","0.5","","Orishchin, S.V.; Aksel'rud, L.G.; le Senechal, C.; Deputier, S.; Bauer, J.; Guerin, R.","New ternary phases in the Mo - Ni - P system: synthesis and crystal structures","Journal of Solid State Chemistry","2001","160","","156","166","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00","" "1526192","8.3386","","8.3386","","8.3386","","90","","90","","90","","579.802","","","","","","","","","","","","","4","F d -3 m :2","-F 4vw 2vw 3","227","","(Li0.56 Fe0.42) (Fe0.99 Mn0.99) O4","","- Fe1.41 Li0.56 Mn0.99 O4 -","- Fe1.41 Li0.56 Mn0.99 O4 -","- Fe11.28 Li4.48 Mn7.92 O32 -","8","0.0416667","","Grygar, T.; Bezdicka, P.; Jordanova, N.; Vorm, P.; Krtil, P.","Spinel solid solutions in the Li - Fe - Mn - O system","Journal of Solid State Chemistry","2001","161","","152","160","","","","","","","","","","","","","","","","","","","","","","has coordinates","147323","2020-10-21","18:00:00","" "1526193","10.846","","10.846","","10.846","","90","","90","","90","","1275.88","","","","","","","","","","","","","3","F -4 3 m","F -4 2 3","216","","","","- Mo3 Ni2 P1.167 -","- Mo3 Ni2 P1.1675 -","- Mo48 Ni32 P18.68 -","16","0.166667","","Orishchin, S.V.; le Senechal, C.; Deputier, S.; Guerin, R.; Bauer, J.; Aksel'rud, L.G.","New ternary phases in the Mo - Ni - P system: synthesis and crystal structures","Journal of Solid State Chemistry","2001","160","","156","166","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00","" "1526195","9.733","","9.733","","4.7805","","90","","90","","90","","452.863","","","","","","","","","","","","","3","I -4","I -4","82","","","","- Mo2.675 Ni0.325 P -","- Mo2.675 Ni0.325 P -","- Mo21.4 Ni2.6 P8 -","8","1","","Orishchin, S.V.; Bauer, J.; Deputier, S.; le Senechal, C.; Guerin, R.; Aksel'rud, L.G.","New ternary phases in the Mo - Ni - P system: synthesis and crystal structures","Journal of Solid State Chemistry","2001","160","","156","166","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00","" "1526197","5.3167","","5.3167","","10.2858","","90","","90","","90","","290.752","","","","","","","","","","","","","3","I -4","I -4","82","","","","- Cd Ga2 Se4 -","- Cd Ga2 Se4 -","- Cd2 Ga4 Se8 -","2","0.25","","Grzechnik, A.; Ursaki, V.V.; Syassen, K.; Tiginyanu, I.M.; Loa, I.; Hanfland, M.","Pressure-induced phase transitions in cadmium thiogallate Cd Ga2 Se4","Journal of Solid State Chemistry","2001","160","","205","211","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00","" "1526199","5.03","","5.03","","5.03","","90","","90","","90","","127.264","","","","","","","","","","","","","3","F m -3 m","-F 4 2 3","225","","","","- Cd Ga2 Se4 -","- Cd Ga2 Se4 -","- Cd Ga2 Se4 -","1","0.00520833","","Grzechnik, A.; Ursaki, V.V.; Syassen, K.; Loa, I.; Tiginyanu, I.M.; Hanfland, M.","Pressure-induced phase transitions in cadmium thiogallate Cd Ga2 Se4","Journal of Solid State Chemistry","2001","160","","205","211","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00","" "1526200","5.99634","","5.99634","","21.5117","","90","","90","","120","","669.85","","","","","","","","","","","","","5","R -3 m :H","-R 3 2""","166","","((N H4) (O H))1.46 (Zn (Cr O4))2","","- Cr2 H7.3 N1.46 O9.46 Zn2 -","- Cr2 N1.46 O9.46 Zn2.001 -","- Cr6 N4.38 O28.38 Zn6.003 -","3","0.0833333","","Ospina, I.D.; Saldarriaga, C.; Palacio, L.A.; Echavarria, A.; Simon, A.","A zinc chromate of type PhiY: synthesis and structure","Microporous and Mesoporous Materials","2001","47","","303","309","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "1526201","5.64","","5.64","","5.64","","90","","90","","90","","179.406","","","","","","","","","","","","","3","F -4 3 m","F -4 2 3","216","","","","- Cd Ga2 Se4 -","- Cd Ga2 Se4 -","- Cd Ga2 Se4 -","1","0.0104167","","Grzechnik, A.; Ursaki, V.V.; Syassen, K.; Loa, I.; Hanfland, M.; Tiginyanu, I.M.","Pressure-induced phase transitions in cadmium thiogallate Cd Ga2 Se4","Journal of Solid State Chemistry","2001","160","","205","211","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00","" "1526212","5.61043","","5.61043","","11.0457","","90","","90","","90","","347.685","","","","","","","","","","","","","4","I -4 2 m","I -4 2","121","","Cu2 Zn Ge Se4","","- Cu2 Ge Se4 Zn -","- Cu2 Ge Se4 Zn -","- Cu4 Ge2 Se8 Zn2 -","2","0.125","","Parasyuk, O.V.; Romanyuk, Ya.E.; Gulay, L.D.; Piskach, L.V.","Phase diagram of the Cu2 Ge Se3 - Zn Se system and crystal structure of the Cu2 Zn Ge Se4 compound","Journal of Alloys Compd.","2001","329","","202","207","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "1526215","11.406","","23.765","","16.923","","90","","90","","90","","4587.21","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","Na9 Gd5 Sb8 (S2)2 S22","","- Gd5 Na9 S26 Sb8 -","- Gd5 Na9 S26 Sb8 -","- Gd20 Na36 S104 Sb32 -","4","0.5","","Park, S.; Kim, S.-J.","Synthesis and crystal structure of a new quaternary thioantimonate, Na9 Gd5 Sb8 S26","Journal of Solid State Chemistry","2001","161","","129","134","","","","","","","","","","","","","","","","","","","","","","has coordinates","147350","2020-10-21","18:00:00","" "1526216","5.3934","","5.4364","","20.516","","90","","90","","90","","601.543","","","","","","","","","","","","","3","F m m m","-F 2 2","69","","","","- La3 Ni2 O6.94 -","- La3 Ni2 O6.94 -","- La12 Ni8 O27.76 -","4","0.125","","Park, J.-C.; Kim, D.-K.; Byeon, S.H.; Kim, D.","XANES study on Ruddlesden-Popper phase, La~n+1~Ni~n~O2~n+1~ (n = 1, 2 and ∞)","Journal of Synchrotron Radiation","2001","8","2","704","706","10.1107/S0909049500015983","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00","" "1526218","10.6281","","10.6281","","10.6281","","90","","90","","90","","1200.51","","","","","","","","","","","","","3","I -4 3 m","I -4 2 3","217","","","","- Eu8 Ga16 Ge30 -","- Eu8 Ga16.008 Ge29.992 -","- Eu8 Ga16.008 Ge29.992 -","1","0.0208333","","Paschen, S.; Carrillo-Cabrera, W.; Bentien, A.; Tran, V.H.; Grin', Yu.; Steglich, F.; Baenitz, M.","Structural, transport, magnetic and thermal properties of Eu8 Ga16 Ge30","Physical Review, Serie 3. B - Condensed Matter (18,1978-)","2001","64","","2144041","21440411","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00","" "1526219","8.782","","6.148","","7.628","","90","","111.1","","90","","384.236","","","","","","","","","","","","","8","P 1 21/m 1","-P 2yb","11","","(Pb1.8 Zn0.2) (Mn0.15 Al0.1 Fe0.75) (V O4)2 (O H)","","- Al0.1 Fe0.75 H Mn0.15 O9 Pb1.8 V2 Zn0.2 -","- Al0.1 Fe0.75 Mn0.15 O9 Pb1.8 V2 Zn0.2 -","- Al0.2 Fe1.5 Mn0.3 O18 Pb3.6 V4 Zn0.4 -","2","0.5","","Gurbanova, O.A.; Rastsvetaeva, R.K.; Chukanov, N.V.","Crystal structure of a new member of the brackebushite group Pb2 Fe (V O4)2 (O H)","Doklady Akad. Nauk","2001","378","","204","207","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "1526220","13.05","","13.123","","13.241","","90","","90","","90","","2267.59","","","","","","","","","","","","","7","P c n n","-P 2ab 2c","52","","(Na1.2 Ca0.8) (Sr0.52 Ca0.48) (Si5.2 Al4.8 O20) (H2 O)6","","- Al4.8 Ca1.28 H12 Na1.2 O26 Si5.2 Sr0.52 -","- Al4.8 Ca1.28 Na1.2 O26 Si5.2 Sr0.52 -","- Al19.2 Ca5.12 Na4.8 O104 Si20.8 Sr2.08 -","4","0.5","","Gurbanova, O.A.; Rastsvetaeva, R.K.; Pekov, I.V.; Turchkova, A.G.","Crystal structure of strontium-rich thomsonite","Doklady Akad. Nauk","2001","376","","387","390","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "1526221","10.784","","10.784","","10.784","","90","","90","","90","","1254.12","","","","","","","","","","","","","3","P m -3 n","-P 4n 2 3","223","","","","- Ba8 Ga16 Ge30 -","- Ba8 Ga16.008 Ge29.992 -","- Ba8 Ga16.008 Ge29.992 -","1","0.0208333","","Paschen, S.; Carrillo-Cabrera, W.; Bentien, A.; Tran, V.H.; Baenitz, M.; Grin', Yu.; Steglich, F.","Structural, transport, magnetic and thermal properties of Eu8 Ga16 Ge30","Physical Review, Serie 3. B - Condensed Matter (18,1978-)","2001","64","","2144041","21440411","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00","" "1526222","5.762","","14.988","","5.246","","90","","90","","90","","453.049","","","","","","","","","","","","","6","P c a n","-P 2n 2c","60","","(Ca0.89 Ce0.11) (Nb1.3 Ti0.7) O5 (O0.41 (O H)0.59)","","- Ca0.89 Ce0.11 H0.59 Nb1.3 O6 Ti0.7 -","- Ca0.89 Ce0.11 Nb1.3 O6 Ti0.7 -","- Ca3.56 Ce0.44 Nb5.2 O24 Ti2.8 -","4","0.5","","Gurbanova, O.A.; Smolin, A.S.; Rastsvetaeva, R.K.; Kashaev, A.A.","Refined crystal structure of TR-fersmite (TR = Ce)","Kristallografiya","2001","46","","234","235","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "1526224","9.905","","9.905","","9.905","","90","","90","","90","","971.77","","","","","","","","","","","","","4","F -4 3 m","F -4 2 3","216","","Ga0.5 V2 S2 Se2","","- Ga0.5 S2 Se2 V2 -","- Ga0.5 S2 Se2 V2 -","- Ga4 S16 Se16 V16 -","8","0.0833333","","Haeuseler, H.; Reil, S.; Elitok, E.","Structural investigations in the system Ga0.5 V2 S4 - Ga0.5 V2 Se4","International Journal of Inorganic Materials","2001","3","","409","412","","","","","","","","","","","","","","","","","","","","","","has coordinates","147361","2020-10-21","18:00:00","" "1526225","10.135","","10.135","","10.135","","90","","90","","90","","1041.05","","","","","","","","","","","","","3","F -4 3 m","F -4 2 3","216","","Ga0.5 V2 Se4","","- Ga0.5 Se4 V2 -","- Ga0.5 Se4 V2 -","- Ga4 Se32 V16 -","8","0.0833333","","Haeuseler, H.; Elitok, E.; Reil, S.","Structural investigations in the system Ga0.5 V2 S4 - Ga0.5 V2 Se4","International Journal of Inorganic Materials","2001","3","","409","412","","","","","","","","","","","","","","","","","","","","","","has coordinates","147363","2020-10-21","18:00:00","" "1526226","5.437","","5.85","","8.083","","90","","90","","90","","257.092","","","","","","","","","","","","","3","I m m 2","I 2 -2","44","","Y Fe2 H5","","- Fe2 H5 Y -","- Fe2 H5 Y -","- Fe8 H20 Y4 -","4","0.5","","Paul-Boncour, V.; Filipek, S.M.; Pielaszek, J.; Percheron-Guegan, A.; Marchuk, I.","Structural and magnetic properties of R Fe2 H5 hydrides (R = Y, Er)","Journal of Alloys Compd.","2001","317","","83","87","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "1526228","5.424","","5.793","","8.009","","90","","90","","90","","251.653","","","","","","","","","","","","","3","I m m 2","I 2 -2","44","","","","- Er Fe2 H5 -","- Er Fe2 H5 -","- Er4 Fe8 H20 -","4","0.5","","Paul-Boncour, V.; Filipek, S.M.; Percheron-Guegan, A.; Marchuk, I.; Pielaszek, J.","Structural and magnetic properties of R Fe2 H5 hydrides (R = Y, Er)","Journal of Alloys Compd.","2001","317","","83","87","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00","" "1526229","4.5967","","4.5967","","3.0376","","90","","90","","90","","64.183","","","","","","","","","","","","","2","P 42/m n m","-P 4n 2n","136","","Mg F2","","- F2 Mg -","- F2 Mg -","- F4 Mg2 -","2","0.125","","Haines, J.; Leger, J.M.; Gorelli, F.; Klug, D.D.; Tse, J.S.; Li, Z.Q.","X-ray diffraction and theoretical studies of the high-pressure structures and phase transitions in magnesium fluoride","Physical Review, Serie 3. B - Condensed Matter (18,1978-)","2001","64","","1341101","13411010","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "1526230","7.9","","7.9","","7.9","","90","","90","","90","","493.039","","","","","","","","","","","","","3","F d -3 m :1","F 4d 2 3 -1d","227","","","","- Er Fe2 H5 -","- Er Fe2 H5 -","- Er8 Fe16 H40 -","8","0.0416667","","Paul-Boncour, V.; Marchuk, I.; Filipek, S.M.; Pielaszek, J.; Percheron-Guegan, A.","Structural and magnetic properties of R Fe2 H5 hydrides (R = Y, Er)","Journal of Alloys Compd.","2001","317","","83","87","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00","" "1526231","7.647","","10.342","","10.558","","114.41","","93.22","","107.47","","709.488","","","","","","","","","","","","","4","P -1","-P 1","2","","(N H4)4 H2 (Se O4)3","","- H18 N4 O12 Se3 -","- H18 N4 O12 Se3 -","- H36 N8 O24 Se6 -","2","1","","Pawlowski, A.; Haznar, A.","Crystal structure of (N H4)4 H2 (Se O4)3 and (N D4)4 D2 (Se O4)3 below 180 K","Journal of Solid State Chemistry","2001","160","","189","194","","","","","","","","","","","","","","","","","","","","","","has coordinates","147369","2020-10-21","18:00:00","" "1526236","4.7615","","4.7615","","4.7615","","90","","90","","90","","107.952","","","","","","","","","","","","","2","P a -3","-P 2ac 2ab 3","205","","Mg F2","","- F2 Mg -","- F2 Mg -","- F8 Mg4 -","4","0.166667","","Haines, J.; Klug, D.D.; Leger, J.M.; Gorelli, F.; Tse, J.S.; Li, Z.Q.","X-ray diffraction and theoretical studies of the high-pressure structures and phase transitions in magnesium fluoride","Physical Review, Serie 3. B - Condensed Matter (18,1978-)","2001","64","","1341101","13411010","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "1526237","3.155","","4.092","","6.956","","90","","90","","90","","89.804","","","","","","","","","","","","","2","P m m n :2","-P 2ab 2a","59","","","","- Cu Te -","- Cu Te -","- Cu2 Te2 -","2","0.25","","Pertlik, F.","Vulcanite, Cu Te: hydrothermal synthesis and crystal structure refinement","Mineralogy and Petrology","2001","71","","149","154","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00","" "1526242","6.016","","5.712","","16.606","","90","","90","","90","","570.638","","","","","","","","","","","","","4","I m m a","-I 2b 2","74","","","","- Ga Mg Mo4 O7 -","- Ga Mg Mo4 O7 -","- Ga4 Mg4 Mo16 O28 -","4","0.25","","Hainz, M.; Boller, H.","Ga Mg Mo4 O7 and Fe2 Mo4 O7 - two low-valent molybdenum oxides with a fully ordered Sc0.75 Zn1.25 Mo4 O7 type structure","Journal of Alloys Compd.","2001","317","","132","135","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00","" "1526244","6.018","","5.782","","16.901","","90","","90","","90","","588.088","","","","","","","","","","","","","3","I m m a","-I 2b 2","74","","","","- Fe2 Mo4 O7 -","- Fe2 Mo4 O7 -","- Fe8 Mo16 O28 -","4","0.25","","Hainz, M.; Boller, H.","Ga Mg Mo4 O7 and Fe2 Mo4 O7 - two low-valent molybdenum oxides with a fully ordered Sc0.75 Zn1.25 Mo4 O7 type structure","Journal of Alloys Compd.","2001","317","","132","135","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00","" "1526250","6.7057","","10.808","","16.461","","90","","94.89","","90","","1188.67","","","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Cs5 (Co Si O6)","","- Co Cs5 O6 Si -","- Co0.971 Cs5 O6 Si1.029 -","- Co3.884 Cs20 O24 Si4.116 -","4","1","","Hansing, J.; Moeller, A.","Synthesis, crystal structures and properties of edge-sharing tetrahedra centered with silicon and cobalt: Cs2 Co Si O4 and Cs5 Co Si O6","Journal of Solid State Chemistry","2001","162","","204","213","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "1526252","5.825","","12.433","","8.157","","90","","90","","90","","590.748","","","","","","","","","","","","","4","C m c 21","C 2c -2","36","","Cs2 (Co Si O4)","","- Co Cs2 O4 Si -","- Co Cs2 O4 Si -","- Co4 Cs8 O16 Si4 -","4","0.5","","Hansing, J.; Moeller, A.","Synthesis, crystal structures and properties of edge-sharing tetrahedra centered with silicon and cobalt: Cs2 Co Si O4 and Cs5 Co Si O6","Journal of Solid State Chemistry","2001","162","","204","213","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "1526254","11.426","","11.023","","16.725","","90","","90","","90","","2106.49","","","","","","","","","","","","","4","C 2 2 21","C 2c 2","20","","Rb2 Cd (Si O4)","","- Cd O4 Rb2 Si -","- Cd O4 Rb2 Si -","- Cd16 O64 Rb32 Si16 -","16","2","","Hansing, J.; Moeller, A.","Rb2 Cd Si O4 : synthesis and crystal structure","Journal of Solid State Chemistry","2001","162","","214","219","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "1526262","5.918","","5.918","","5.918","","90","","90","","90","","207.264","","","","","","","","","","","","","3","F m -3 m","-F 4 2 3","225","","K0.333 La0.667 F2.333","","- F2.333 K0.333 La0.667 -","- F2.334 K0.333 La0.667 -","- F9.336 K1.332 La2.668 -","4","0.0208333","","Pierrard, A.; Derouet, J.; de Kozak, A.; Gredin, P.; Viana, B.; Aschehoug, P.; Vivien, D.; Bouree-Vigneron, F.","Structural characterization of K La2 F7 and spectroscopic study of K La2 F7 : Nd(3+)","Physica Status Solidi, Sectio B: Basic Research","2001","226","","329","338","","","","","","","","","","","","","","","","","","","","","","has coordinates","147404","2020-10-21","18:00:00","" "1526263","5.3925","","11.9283","","11.7256","","113.044","","94.84","","103.064","","663.394","","","","","","","","","","","","","11","P -1","-P 1","2","","K2 Na1.026 Ca0.356 (Mn5.926 Mg0.64) (Ti1.896 Nb0.104) Si8 O26 (O H)4 F","","- Ca0.356 F H4 K2 Mg0.64 Mn5.926 Na1.026 Nb0.104 O30 Si8 Ti1.896 -","- Ca0.356 F K2 Mg0.64 Mn5.926 Na1.026 Nb0.104 O30 Si8 Ti1.896 -","- Ca0.356 F K2 Mg0.64 Mn5.926 Na1.026 Nb0.104 O30 Si8 Ti1.896 -","1","0.5","","Piilonen, P.C.; McDonald, A.M.; Lalonde, A.E.","Kupletskite polytypes from the Lovozero massif, Kola peninsula, Russia: kupletskite-1A and kupletskite-Ma2b2c","European Journal of Mineralogy (1,1989-)","2001","13","","973","984","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "1526264","3.9748","","3.9748","","5.0227","","90","","90","","90","","79.354","","","","","","","","","","","","","2","P 4/n m m :1","P 4ab 2ab -1ab","129","","Pb O","","- O Pb -","- O Pb -","- O2 Pb2 -","2","0.125","","Pirovano, C.; Islam, M.S.; Vannier, R.S.; Nowogrocki, G.; Mairesse, G.","Modelling the crystal structures of Aurivillius phases","Solid State Ionics","2001","140","","115","123","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "1526265","15.667","","5.493","","5.376","","90","","90","","90","","462.652","","","","","","","","","","","","","3","C m c 21","C 2c -2","36","","Bi2 (Ge O5)","","- Bi2 Ge O5 -","- Bi2 Ge O5 -","- Bi8 Ge4 O20 -","4","0.5","","Pirovano, C.; Islam, M.S.; Nowogrocki, G.; Mairesse, G.; Vannier, R.S.","Modelling the crystal structures of Aurivillius phases","Solid State Ionics","2001","140","","115","123","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "1526273","13.398","","5.6974","","11.042","","90","","100.539","","90","","828.659","","","","","","","","","","","","","15","C 1 2/m 1","-C 2y","12","","(Ce1.86 La1.23 Nd0.35 Pr0.15 Sm0.01 Y0.04 Ca0.24 Th0.12) (Mg0.8 Fe0.2) (Cr1.28 Fe0.72) (Ti1.52 Nb0.32) Si4 O22","","- Ca0.24 Ce1.86 Cr1.28 Fe0.92 La1.23 Mg0.8 Nb0.32 Nd0.35 O22 Pr0.15 Si4 Sm0.01 Th0.12 Ti1.52 Y0.04 -","- Ca0.24 Ce1.86 Cr1.28 Fe0.92 La1.23 Mg0.8 Nb0.32 Nd0.35 O22 Pr0.15 Si4 Sm0.01 Th0.12 Ti1.52 Y0.04 -","- Ca0.48 Ce3.72 Cr2.56 Fe1.84 La2.46 Mg1.6 Nb0.64 Nd0.7 O44 Pr0.3 Si8 Sm0.02 Th0.24 Ti3.04 Y0.08 -","2","0.25","","Popov, V.A.; Pautov, L.A.; McCammon, C.; Sokolova, E.; Hawthorne, F.C.; Bazhenova, L.F.","Polyakovite-(Ce), (REE, Ca)4 (Mg, Fe(2+)) (Cr(3+), Fe(3+))2 (Ti, Nb)2 Si4 O22, a new metamict mineral species from the Ilmen mountains, southern Ural, Russia: mineral description and crystal chemistry","Canadian Mineralogist","2001","39","","1095","1104","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "1526278","2.8958","","2.8958","","14.245","","90","","90","","120","","103.45","","","","","","","","","","","","","3","R -3 m :H","-R 3 2""","166","","(Li0.73 Ni0.27) (Ni0.98 Li0.02) O2","","- Li0.75 Ni1.25 O2 -","- Li0.75 Ni1.25 O2 -","- Li2.25 Ni3.75 O6 -","3","0.0833333","","Pouillerie, C.; Delmas, C.; Suard, E.","Structural characterization of Li1-z-x Ni1+z O2 by neutron diffraction","Journal of Solid State Chemistry","2001","158","","187","197","","","","","","","","","","","","","","","","","","","","","","has coordinates","147421","2020-10-21","18:00:00","" "1526279","5.171","","5.171","","13.371","","90","","90","","90","","357.53","","","","","","","","","","","","","2","I -4 m 2","I -4 -2","119","","Re3 O10","","- O10 Re3 -","- O10 Re3 -","- O20 Re6 -","2","0.125","","Hartmann, T.; Fuess, H.; Miehe, G.; Ehrenberg, H.; Wltschek, G.; Buhrmester, T.; Galy, J.","Preparation and crystal structure of Re3 O10","Journal of Solid State Chemistry","2001","160","","317","321","","","","","","","","","","","","","","","","","","","","","","has coordinates","147422","2020-10-21","18:00:00","" "1526280","2.86696","","2.86696","","14.2374","","90","","90","","120","","101.346","","","","","","","","","","","","","3","R -3 m :H","-R 3 2""","166","","(Li0.82 Ni0.026) Ni0.994 O2","","- Li0.82 Ni1.02 O2 -","- Li0.82 Ni1.02 O2 -","- Li2.46 Ni3.06 O6 -","3","0.0833333","","Pouillerie, C.; Suard, E.; Delmas, C.","Structural characterization of Li1-z-x Ni1+z O2 by neutron diffraction","Journal of Solid State Chemistry","2001","158","","187","197","","","","","","","","","","","","","","","","","","","","","","has coordinates","147423","2020-10-21","18:00:00","" "1526281","9.876","","18.036","","5.315","","90","","103.74","","90","","919.635","","","","","","","","","","","","","14","C 1 2/m 1","-C 2y","12","","(Fe4.194 Zn0.058 Zr0.04 Ti0.2 Li0.4 Mn0.11) (Ca0.02 Na1.96 Mn0.02) (Na0.6 K0.36) ((Al0.1 Si7.9) O22) (O0.4 (O H)0.67 F0.93)","","- Al0.1 Ca0.02 F0.93 Fe4.194 H0.67 K0.36 Li0.4 Mn0.13 Na2.56 O23.07 Si7.9 Ti0.2 Zn0.058 Zr0.04 -","- Al0.1 Ca0.02 F0.93 Fe4.192 K0.36 Li0.4 Mn0.13 Na2.56 O23.07 Si7.9 Ti0.2 Zn0.058 Zr0.04 -","- Al0.2 Ca0.04 F1.86 Fe8.384 K0.72 Li0.8 Mn0.26 Na5.12 O46.14 Si15.8 Ti0.4 Zn0.116 Zr0.08 -","2","0.25","","Hawthorne, F.C.; Oberti, R.; Ottolini, L.; Cannillo, E.; Roelofsen, J.N.; Martin, R.F.","Li-bearing arfvedsonitic amphiboles from the Strange Lake peralkaline granite, Quebec","Canadian Mineralogist","2001","39","","1161","1170","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "1526282","4.9894","","2.8247","","5.0656","","90","","109.816","","90","","67.165","","","","","","","","","","","","","3","C 1 2/m 1","-C 2y","12","","(Li0.63 Ni0.022) Ni0.998 O2","","- Li0.63 Ni1.02 O2 -","- Li0.63 Ni1.02 O2 -","- Li1.26 Ni2.04 O4 -","2","0.25","","Pouillerie, C.; Suard, E.; Delmas, C.","Structural characterization of Li1-z-x Ni1+z O2 by neutron diffraction","Journal of Solid State Chemistry","2001","158","","187","197","","","","","","","","","","","","","","","","","","","","","","has coordinates","147425","2020-10-21","18:00:00","" "1526283","9.861","","18.033","","5.318","","90","","103.68","","90","","918.838","","","","","","","","","","","","","13","C 1 2/m 1","-C 2y","12","","(Fe4.487 Zn0.022 Ti0.08 Li0.34 Mn0.07) (Ca0.04 Na1.96) (Na0.73 K0.27) (Al0.16 Si7.84) O22 (O0.16 (O H)0.65 F1.19)","","- Al0.16 Ca0.04 F1.19 Fe4.487 H0.65 K0.27 Li0.34 Mn0.07 Na2.69 O22.81 Si7.84 Ti0.08 Zn0.022 -","- Al0.16 Ca0.04 F1.19 Fe4.488 K0.27 Li0.34 Mn0.07 Na2.689 O22.81 Si7.84 Ti0.08 Zn0.022 -","- Al0.32 Ca0.08 F2.38 Fe8.976 K0.54 Li0.68 Mn0.14 Na5.378 O45.62 Si15.68 Ti0.16 Zn0.044 -","2","0.25","","Hawthorne, F.C.; Oberti, R.; Roelofsen, J.N.; Ottolini, L.; Cannillo, E.; Martin, R.F.","Li-bearing arfvedsonitic amphiboles from the Strange Lake peralkaline granite, Quebec","Canadian Mineralogist","2001","39","","1161","1170","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "1526285","9.874","","18.054","","5.318","","90","","103.66","","90","","921.199","","","","","","","","","","","","","14","C 1 2/m 1","-C 2y","12","","(Fe4.502 Zn0.028 Zr0.01 Ti0.13 Li0.3 Mn0.03) (Mn0.05 Ca0.07 Na1.88) (Na0.72 K0.28) (Al0.16 Si7.84) O22 (O0.26 (O H)0.69 F1.05)","","- Al0.16 Ca0.07 F1.05 Fe4.502 H0.69 K0.28 Li0.3 Mn0.08 Na2.6 O22.95 Si7.84 Ti0.13 Zn0.028 Zr0.01 -","- Al0.16 Ca0.07 F1.05 Fe4.502 K0.279 Li0.3 Mn0.08 Na2.6 O22.95 Si7.84 Ti0.13 Zn0.028 Zr0.01 -","- Al0.32 Ca0.14 F2.1 Fe9.004 K0.558 Li0.6 Mn0.16 Na5.2 O45.9 Si15.68 Ti0.26 Zn0.056 Zr0.02 -","2","0.25","","Hawthorne, F.C.; Oberti, R.; Cannillo, E.; Ottolini, L.; Roelofsen, J.N.; Martin, R.F.","Li-bearing arfvedsonitic amphiboles from the Strange Lake peralkaline granite, Quebec","Canadian Mineralogist","2001","39","","1161","1170","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "1526287","9.912","","18.05","","5.314","","90","","103.77","","90","","923.411","","","","","","","","","","","","","14","C 1 2/m 1","-C 2y","12","","(Fe4.223 Zn0.087 Zr0.04 Ti0.1 Li0.37 Mn0.18) (Ca0.04 Na1.96) (Na0.52 K0.48) (Al0.06 Si7.94) O22 (O0.2 (O H)0.91 F0.89)","","- Al0.06 Ca0.04 F0.89 Fe4.223 H0.91 K0.48 Li0.37 Mn0.18 Na2.48 O23.11 Si7.94 Ti0.1 Zn0.087 Zr0.04 -","- Al0.06 Ca0.04 F0.89 Fe4.223 K0.48 Li0.37 Mn0.18 Na2.479 O23.11 Si7.94 Ti0.1 Zn0.087 Zr0.04 -","- Al0.12 Ca0.08 F1.78 Fe8.446 K0.96 Li0.74 Mn0.36 Na4.958 O46.22 Si15.88 Ti0.2 Zn0.174 Zr0.08 -","2","0.25","","Hawthorne, F.C.; Oberti, R.; Martin, R.F.; Cannillo, E.; Ottolini, L.; Roelofsen, J.N.","Li-bearing arfvedsonitic amphiboles from the Strange Lake peralkaline granite, Quebec","Canadian Mineralogist","2001","39","","1161","1170","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "1526288","3.868","","3.868","","20.158","","90","","90","","90","","301.592","","","","","","","","","","","","","3","I 4/m m m","-I 4 2","139","","Sr3 Fe2 O6.73","","- Fe2 O6.73 Sr3 -","- Fe2 O6.73 Sr3 -","- Fe4 O13.46 Sr6 -","2","0.0625","","Prado, F.; Armstrong, T.; Manthiram, A.; Caneiro, A.","Structural stability and oxygen permeation properties of Sr3-x Lax Fe2-y Coy O7-d (0 <= x <= 0.3 and 0 <= y <= 1.0)","Journal of the Electrochemical Society","2001","148","","7","14","","","","","","","","","","","","","","","","","","","","","","has coordinates","147431","2020-10-21","18:00:00","" "1526290","3.869","","3.869","","20.182","","90","","90","","90","","302.108","","","","","","","","","","","","","4","I 4/m m m","-I 4 2","139","","(Sr2.7 La0.3) Fe2 O6.84","","- Fe2 La0.3 O6.84 Sr2.7 -","- Fe2 La0.3 O6.84 Sr2.7 -","- Fe4 La0.6 O13.68 Sr5.4 -","2","0.0625","","Prado, F.; Armstrong, T.; Caneiro, A.; Manthiram, A.","Structural stability and oxygen permeation properties of Sr3-x Lax Fe2-y Coy O7-d (0 <= x <= 0.3 and 0 <= y <= 1.0)","Journal of the Electrochemical Society","2001","148","","7","14","","","","","","","","","","","","","","","","","","","","","","has coordinates","147433","2020-10-21","18:00:00","" "1526292","3.853","","3.853","","20.138","","90","","90","","90","","298.961","","","","","","","","","","","","","5","I 4/m m m","-I 4 2","139","","(Sr2.7 La0.3) (Fe1.4 Co0.6) O6.68","","- Co0.6 Fe1.4 La0.3 O6.68 Sr2.7 -","- Co0.6 Fe1.4 La0.3 O6.68 Sr2.7 -","- Co1.2 Fe2.8 La0.6 O13.36 Sr5.4 -","2","0.0625","","Prado, F.; Armstrong, T.; Caneiro, A.; Manthiram, A.","Structural stability and oxygen permeation properties of Sr3-x Lax Fe2-y Coy O7-d (0 <= x <= 0.3 and 0 <= y <= 1.0)","Journal of the Electrochemical Society","2001","148","","7","14","","","","","","","","","","","","","","","","","","","","","","has coordinates","147435","2020-10-21","18:00:00","" "1526293","3.86248","","3.86248","","19.9242","","90","","90","","90","","297.244","","","","","","","","","","","","","5","I 4/m m m","-I 4 2","139","","(La1.4 Sr Ca0.6) Mn2 O7","","- Ca0.6 La1.4 Mn2 O7 Sr -","- Ca0.601 La1.4 Mn2 O7 Sr0.999 -","- Ca1.202 La2.8 Mn4 O14 Sr1.998 -","2","0.0625","","He, L.-H.; Zhang, P.-L.; Yan, Q.-W.","The structure and magnetic properties of La2-2x Sr Ca2x Mn2 O7 (x =0.25-1.00)","Chinese Physics","2001","10","","857","861","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "1526294","3.842","","3.842","","20.107","","90","","90","","90","","296.799","","","","","","","","","","","","","5","I 4/m m m","-I 4 2","139","","(Sr2.7 La0.3) (Fe Co) O6.66","","- Co Fe La0.3 O6.66 Sr2.7 -","- Co Fe La0.3 O6.66 Sr2.7 -","- Co2 Fe2 La0.6 O13.32 Sr5.4 -","2","0.0625","","Prado, F.; Armstrong, T.; Manthiram, A.; Caneiro, A.","Structural stability and oxygen permeation properties of Sr3-x Lax Fe2-y Coy O7-d (0 <= x <= 0.3 and 0 <= y <= 1.0)","Journal of the Electrochemical Society","2001","148","","7","14","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "1526295","3.8629","","3.8629","","19.6789","","90","","90","","90","","293.648","","","","","","","","","","","","","5","I 4/m m m","-I 4 2","139","","(La1.2 Sr Ca0.8) Mn2 O7","","- Ca0.8 La1.2 Mn2 O7 Sr -","- Ca0.8 La1.2 Mn2 O7 Sr -","- Ca1.6 La2.4 Mn4 O14 Sr2 -","2","0.0625","","He, L.-H.; Zhang, P.-L.; Yan, Q.-W.","The structure and magnetic properties of La2-2x Sr Ca2x Mn2 O7 (x =0.25-1.00)","Chinese Physics","2001","10","","857","861","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "1526296","2.8159","","2.8159","","14.2703","","90","","90","","120","","97.994","","","","","","","","","","","","","5","R -3 m :H","-R 3 2""","166","","Li0.16 (Ni0.7 Fe0.15 Co0.15)1.03 O2","","- Co0.1545 Fe0.1545 Li0.16 Ni0.721 O2 -","- Co0.1551 Fe0.1551 Li0.16 Ni0.7238 O2 -","- Co0.4653 Fe0.4653 Li0.48 Ni2.1714 O6 -","3","0.0833333","","Prado, G.; Fournes, L.; Delmas, C.","On the Lix Ni0.70 Fe0.15 Co0.15 O2 system: an X-ray diffraction and Mossbauer study","Journal of Solid State Chemistry","2001","159","","103","112","","","","","","","","","","","","","","","","","","","","","","has coordinates","147439","2020-10-21","18:00:00","" "1526297","3.84333","","3.84333","","19.6083","","90","","90","","90","","289.638","","","","","","","","","","","","","5","I 4/m m m","-I 4 2","139","","(La0.8 Sr Ca1.2) Mn2 O7","","- Ca1.2 La0.8 Mn2 O7 Sr -","- Ca1.201 La0.8 Mn2 O7 Sr0.999 -","- Ca2.402 La1.6 Mn4 O14 Sr1.998 -","2","0.0625","","He, L.-H.; Zhang, P.-L.; Yan, Q.-W.","The structure and magnetic properties of La2-2x Sr Ca2x Mn2 O7 (x =0.25-1.00)","Chinese Physics","2001","10","","857","861","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "1526298","2.8156","","2.8156","","14.201","","90","","90","","120","","97.497","","","","","","","","","","","","","5","R -3 m :H","-R 3 2""","166","","Li0.08 (Ni0.7 Fe0.15 Co0.15)1.03 O2","","- Co0.1545 Fe0.1545 Li0.08 Ni0.721 O2 -","- Co0.1551 Fe0.1551 Li0.08 Ni0.7238 O2 -","- Co0.4653 Fe0.4653 Li0.24 Ni2.1714 O6 -","3","0.0833333","","Prado, G.; Fournes, L.; Delmas, C.","On the Lix Ni0.70 Fe0.15 Co0.15 O2 system: an X-ray diffraction andMossbauer study","Journal of Solid State Chemistry","2001","159","","103","112","","","","","","","","","","","","","","","","","","","","","","has coordinates","147441","2020-10-21","18:00:00","" "1526300","2.8188","","2.8188","","14.365","","90","","90","","120","","98.847","","","","","","","","","","","","","5","R -3 m :H","-R 3 2""","166","","Li0.26 (Ni0.7 Fe0.15 Co0.15)1.03 O2","","- Co0.1545 Fe0.1545 Li0.26 Ni0.721 O2 -","- Co0.1551 Fe0.1551 Li0.26 Ni0.7238 O2 -","- Co0.4653 Fe0.4653 Li0.78 Ni2.1714 O6 -","3","0.0833333","","Prado, G.; Fournes, L.; Delmas, C.","On the Lix Ni0.70 Fe0.15 Co0.15 O2 system: an X-ray diffraction andMossbauer study","Journal of Solid State Chemistry","2001","159","","103","112","","","","","","","","","","","","","","","","","","","","","","has coordinates","147444","2020-10-21","18:00:00","" "1526302","2.8254","","2.8254","","14.418","","90","","90","","120","","99.677","","","","","","","","","","","","","5","R -3 m :H","-R 3 2""","166","","Li0.36 (Ni0.7 Fe0.15 Co0.15)1.03 O2","","- Co0.1545 Fe0.1545 Li0.36 Ni0.721 O2 -","- Co0.1551 Fe0.1551 Li0.36 Ni0.7238 O2 -","- Co0.4653 Fe0.4653 Li1.08 Ni2.1714 O6 -","3","0.0833333","","Prado, G.; Delmas, C.; Fournes, L.","On the Lix Ni0.70 Fe0.15 Co0.15 O2 system: an X-ray diffraction and Mossbauer study","Journal of Solid State Chemistry","2001","159","","103","112","","","","","","","","","","","","","","","","","","","","","","has coordinates","147446","2020-10-21","18:00:00","" "1526303","2.8421","","2.8421","","14.39","","90","","90","","120","","100.663","","","","","","","","","","","","","5","R -3 m :H","-R 3 2""","166","","Li0.56 (Ni0.7 Fe0.15 Co0.15)1.03 O2","","- Co0.1545 Fe0.1545 Li0.56 Ni0.721 O2 -","- Co0.1551 Fe0.1551 Li0.56 Ni0.7238 O2 -","- Co0.4653 Fe0.4653 Li1.68 Ni2.1714 O6 -","3","0.0833333","","Prado, G.; Fournes, L.; Delmas, C.","On the Lix Ni0.70 Fe0.15 Co0.15 O2 system: an X-ray diffraction and Mossbauer study","Journal of Solid State Chemistry","2001","159","","103","112","","","","","","","","","","","","","","","","","","","","","","has coordinates","147448","2020-10-21","18:00:00","" "1526304","2.8605","","2.8605","","14.295","","90","","90","","120","","101.297","","","","","","","","","","","","","5","R -3 m :H","-R 3 2""","166","","Li0.77 (Ni0.7 Fe0.15 Co0.15)1.03 O2","","- Co0.1545 Fe0.1545 Li0.77 Ni0.721 O2 -","- Co0.1551 Fe0.1551 Li0.77 Ni0.7238 O2 -","- Co0.4653 Fe0.4653 Li2.31 Ni2.1714 O6 -","3","0.0833333","","Prado, G.; Fournes, L.; Delmas, C.","On the Lix Ni0.70 Fe0.15 Co0.15 O2 system: an X-ray diffraction and Mossbauer study","Journal of Solid State Chemistry","2001","159","","103","112","","","","","","","","","","","","","","","","","","","","","","has coordinates","147450","2020-10-21","18:00:00","" "1526316","7.3005","","17.3894","","12.3531","","90","","91.139","","90","","1567.93","","","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Na K (Si2 O5)","","- K Na O5 Si2 -","- K Na O5 Si2 -","- K12 Na12 O60 Si24 -","12","3","","Rakic, S.; Kahlenberg, V.","Single crystal structure investigation of twinned Na K Si2 O5 - a novel single layer silicate","Solid State Sciences","2001","3","","659","667","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "1526319","7.736","","7.736","","7.736","","90","","90","","90","","462.966","","","","","","","","","","","","","5","F m -3 m","-F 4 2 3","225","","Ca La Fe V O6","","- Ca Fe La O6 V -","- Ca Fe La O6 V -","- Ca4 Fe4 La4 O24 V4 -","4","0.0208333","","Ramesha, K.; Smolyaninova, V.; Gopalakrishnan, J.; Greene, R.L.","A La Fe V O6 (A = Ca, Sr): new double-peorvskite oxides","Journal of Solid State Chemistry","2001","162","","250","253","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "1526320","20.1381","","19.936","","13.4169","","90","","90","","90","","5386.52","","","","","","","","","","","","","2","P n m a","-P 2ac 2n","62","","Si0.9717 O2","","- O2 Si0.9717 -","- O2 Si0.971667 -","- O192 Si93.28 -","96","12","","Henry, P.F.; Weller, M.T.; Wilson, C.C.","Structural investigation of TS-1: determination of the true nonrandom titanium framework substitution and silicon vacancy distribution from powder neutron diffraction studies using isotopes","J. Phys. Chem. B","2001","105","","7452","7458","","","","","","","","","","","","","","","","","","","","","","has coordinates","147472","2020-10-21","18:00:00","" "1526321","7.802","","7.802","","7.802","","90","","90","","90","","474.917","","","","","","","","","","","","","5","F m -3 m","-F 4 2 3","225","","Sr La Fe V O6","","- Fe La O6 Sr V -","- Fe La O6 Sr V -","- Fe4 La4 O24 Sr4 V4 -","4","0.0208333","","Ramesha, K.; Greene, R.L.; Gopalakrishnan, J.; Smolyaninova, V.","A La Fe V O6 (A = Ca, Sr): new double-peorvskite oxides","Journal of Solid State Chemistry","2001","162","","250","253","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "1526322","20.1403","","19.9439","","13.4177","","90","","90","","90","","5389.57","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","(Ti0.0167 Si0.9483) O2","","- O2 Si0.9483 Ti0.0167 -","- O2 Si0.948333 Ti0.0166667 -","- O192 Si91.04 Ti1.6 -","96","12","","Henry, P.F.; Weller, M.T.; Wilson, C.C.","Structural investigation of TS-1: determination of the true nonrandom titanium framework substitution and silicon vacancy distribution from powder neutron diffraction studies using isotopes","J. Phys. Chem. B","2001","105","","7452","7458","","","","","","","","","","","","","","","","","","","","","","has coordinates","147474","2020-10-21","18:00:00","" "1526328","14.365","","13.887","","7.814","","90","","117.36","","90","","1384.42","","","","","","","","","","","","","9","C 1 m 1","C -2y","8","","K3.1 Ca1.2 Ba0.2 (Mn1.78 (H2 O)3.6) (Ti4 (Ti3.8 Nb0.2) (O1.66 (O H)6.34)) (Si4 O12)4 (H2 O)6.2","","- Ba0.2 Ca1.2 H25.94 K3.1 Mn1.78 Nb0.2 O65.8 Si16 Ti7.8 -","- Ba0.2 Ca1.2 K3.1 Mn1.78 Nb0.2 O65.8 Si16 Ti7.8 -","- Ba0.2 Ca1.2 K3.1 Mn1.78 Nb0.2 O65.8 Si16 Ti7.8 -","1","0.25","","Rastsvetaeva, R.K.; Pekov, I.V.; Nekrasov, Yu.V.","Crystal structure and microtwinning of a calcium-rich analog of labuntsovite","Kristallografiya","2001","46","","415","417","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "1526330","14.249","","14.249","","60.969","","90","","90","","120","","10720.3","","","","","","","","","","","","","16","R 3 m :H","R 3 -2""","160","","(Na27.31 Sr0.47) K7.68 (Ca11.67 Sr0.3 Ce0.03) (Fe2.19 Mn0.36) (Zr5.34 Ti0.6 Hf0.06) (Si51.51 Nb0.1 Al0.19) O145.29 Cl2.43 (O H)3.17 (H2 O)2.34","","- Al0.19 Ca11.67 Ce0.03 Cl2.43 Fe2.19 H7.85 Hf0.06 K7.68 Mn0.36 Na27.31 Nb0.1 O150.8 Si51.51 Sr0.77 Ti0.6 Zr5.34 -","- Al0.19 Ca11.664 Ce0.036 Cl2.43 Fe2.19 Hf0.06 K7.68 Mn0.36 Na27.312 Nb0.1 O150.8 Si51.51 Sr0.768 Ti0.6 Zr5.34 -","- Al0.57 Ca34.992 Ce0.108 Cl7.29 Fe6.57 Hf0.18 K23.04 Mn1.08 Na81.936 Nb0.3 O452.4 Si154.53 Sr2.304 Ti1.8 Zr16.02 -","3","0.166667","","Rastsvetaeva, R.K.; Khomyakov, A.P.","Modulated structure of a potassium-rich analog of eudialyte with a doubled parameter c","Kristallografiya","2001","46","","715","721","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "1526337","5.993","","5.993","","9.335","","90","","90","","120","","290.358","","","","","","","","","","","","","6","P 63 m c","P 6c -2c","186","","Zn2 Sb2 Mg2.45 Fe3.55 O14 (O H)2","","- Fe3.55 H2 Mg2.45 O16 Sb2 Zn2 -","- Fe3.5502 H2 Mg2.4498 O16 Sb2 Zn2 -","- Fe3.5502 H2 Mg2.4498 O16 Sb2 Zn2 -","1","0.0833333","","Holtstam, D.; Gatedal, K.; Soderberg, K.; Norrestam, R.","Rinmanite, Zn2 Sb2 Mg2 Fe4 O14 (O H)2, a new mineral species with a nolanite-type structure from the Garpenberg Norra mine, Dalarna, Sweden","Canadian Mineralogist","2001","39","","1675","1683","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "1526344","3.84733","","3.84733","","15.4364","","90","","90","","90","","228.489","","","","","","","","","","","","","5","P 4/m m m","-P 4 2","123","","Cs La2 Ti2 Ta O10","","- Cs La2 O10 Ta Ti2 -","- Cs La2 O10 Ta Ti2 -","- Cs La2 O10 Ta Ti2 -","1","0.0625","","Hong, Y.-S.; Kim, K.; Han, C.-H.","Structural characterization of new layered perovskites M La2 Ti2 Ta O10 (M = Cs, Rb) and Na La2 Ti2 Ta O10 * x(H2 O) (x = 2, 0.9, 0)","Journal of Solid State Chemistry","2001","158","","290","298","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "1526346","3.8342","","3.8342","","15.2776","","90","","90","","90","","224.597","","","","","","","","","","","","","5","P 4/m m m","-P 4 2","123","","Rb La2 Ti2 Ta O10","","- La2 O10 Rb Ta Ti2 -","- La2 O10 Rb Ta Ti2 -","- La2 O10 Rb Ta Ti2 -","1","0.0625","","Hong, Y.-S.; Han, C.-H.; Kim, K.","Structural characterization of new layered perovskites M La2 Ti2 Ta O10 (M= Cs, Rb) and Na La2 Ti2 Ta O10 * x(H2 O) (x= 2, 0.9, 0)","Journal of Solid State Chemistry","2001","158","","290","298","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "1526348","3.8399","","3.8399","","34.288","","90","","90","","90","","505.571","","","","","","","","","","","","","6","I 4/m m m","-I 4 2","139","","Na La2 Ti2 Ta O10 (H2 O)2","","- H4 La2 Na O12 Ta Ti2 -","- La2 Na O11.98 Ta Ti2 -","- La4 Na2 O23.96 Ta2 Ti4 -","2","0.0625","","Hong, Y.-S.; Han, C.-H.; Kim, K.","Structural characterization of new layered perovskites M La2 Ti2 Ta O10 (M = Cs, Rb) and Na La2 Ti2 Ta O10 * x(H2 O) (x = 2, 0.9, 0)","Journal of Solid State Chemistry","2001","158","","290","298","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "1526350","3.8408","","3.8408","","15.51","","90","","90","","90","","228.8","","","","","","","","","","","","","6","P 4/m m m","-P 4 2","123","","Na La2 Ti2 Ta O10 (H2 O)0.9","","- H1.8 La2 Na O10.9 Ta Ti2 -","- La2 Na O10.9 Ta Ti2 -","- La2 Na O10.9 Ta Ti2 -","1","0.0625","","Hong, Y.-S.; Han, C.-H.; Kim, K.","Structural characterization of new layered perovskites M La2 Ti2 Ta O10 (M = Cs, Rb) and Na La2 Ti2 Ta O10 * x(H2 O) (x = 2, 0.9, 0)","Journal of Solid State Chemistry","2001","158","","290","298","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "1526352","3.8356","","3.8356","","29.733","","90","","90","","90","","437.427","","","","","","","","","","","","","5","I 4/m m m","-I 4 2","139","","Na La2 Ti2 Ta O10","","- La2 Na O10 Ta Ti2 -","- La2 Na O10 Ta Ti2 -","- La4 Na2 O20 Ta2 Ti4 -","2","0.0625","","Hong, Y.-S.; Han, C.-H.; Kim, K.","Structural characterization of new layered perovskites M La2 Ti2 Ta O10 (M = Cs, Rb) and Na La2 Ti2 Ta O10 * x(H2 O) (x = 2, 0.9, 0)","Journal of Solid State Chemistry","2001","158","","290","298","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "1526353","5.42542","","5.42542","","10.8818","","90","","90","","90","","320.308","","","","","","","","","","","","","2","I 41/a m d :2","-I 4bd 2","141","","Nd D2.272","","- D2.272 Nd -","- D2.272 Nd -","- D18.176 Nd8 -","8","0.25","","Renaudin, G.; Fischer, P.; Yvon, K.","Tetragonal structure of neodymium deuteride Nd D2.27 revisited","Journal of Alloys Compd.","2001","329","","9","13","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "1526369","5.4725","","7.7324","","5.4715","","90","","90","","90","","231.53","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","(Ca0.5 Sr0.5) Ti O3","","- Ca0.5 O3 Sr0.5 Ti -","- Ca0.5 O3 Sr0.5 Ti -","- Ca2 O12 Sr2 Ti4 -","4","0.5","","Howard, C.J.; Withers, R.L.; Kennedy, B.J.","Space group and structure for the perovskite Ca0.5 Sr0.5 Ti O3","Journal of Solid State Chemistry","2001","160","","8","12","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "1526370","7.642","","14.336","","7.727","","90","","111.27","","90","","788.872","","","","","","","","","","","","","3","C 1 2/m 1","-C 2y","12","","Th Te2 I2","","- I2 Te2 Th -","- I2 Te2 Th -","- I8 Te8 Th4 -","4","0.5","","Rocker, F.; Tremel, W.","Synthesis and structure of Th Te2 I2","Zeitschrift fuer Anorganische und Allgemeine Chemie","2001","627","","1305","1308","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "1526371","6.07877","","6.07877","","7.1827","","90","","90","","120","","229.853","","","","","","","","","","","","","4","P -6","P -6","174","","Zn3 (V O4)2 (H2 O)2.93","","- H5.86 O10.93 V2 Zn3 -","- O10.93 V2 Zn3 -","- O10.93 V2 Zn3 -","1","0.166667","","Hoyos, D.A.; Echavarria, A.; Saldarriaga, C.","Synthesis and structure of a porous zinc vanadate, Zn3 (V O4)2 * 3(H2 O)","Journal of Materials Science","2001","36","","5515","5518","","","","","","","","","","","","","","","","","","","","","","has coordinates","147540","2020-10-21","18:00:00","" "1526372","12.2623","","12.2623","","12.2623","","90","","90","","90","","1843.81","","","","","","","","","","","","","4","I a -3 d","-I 4bd 2c 3","230","","Y3 Fe4 Al O12","","- Al Fe4 O12 Y3 -","- Al0.999 Fe4.001 O12 Y3 -","- Al7.992 Fe32.008 O96 Y24 -","8","0.0833333","","Rodic, D.; Rundlof, H.; Tellgren, R.; Mitric, M.","The cation distribution and magnetic structure of Y3 Fe5-x Alx O12","Journal of Magnetism and Magnetic Materials","2001","232","","1","8","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "1526373","16.59","","17.877","","4.3516","","90","","90","","90","","1290.59","","","","","","","","","","","","","4","P n n m","-P 2 2n","58","","K3 Sm4 Cu5 Te10","","- Cu5 K3 Sm4 Te10 -","- Cu5 K3 Sm4 Te10 -","- Cu10 K6 Sm8 Te20 -","2","0.25","","Huang Fuqiang; Ibers, J.A.","Syntheses and structures of the quaternary copper tellurides K2 Ln4 Cu5 Te10 (Ln = Sm, Gd, Er), Rb3 Ln4 Cu5 Te10 (Ln = Nd, Gd) and Cs3 Gd4 Cu5 Te10","Journal of Solid State Chemistry","2001","160","","409","414","","","","","","","","","","","","","","","","","","","","","","has coordinates","147542","2020-10-21","18:00:00","" "1526374","12.1975","","12.1975","","12.1975","","90","","90","","90","","1814.73","","","","","","","","","","","","","4","I a -3 d","-I 4bd 2c 3","230","","Y3 Fe3 Al2 O12","","- Al2 Fe3 O12 Y3 -","- Al2.001 Fe2.999 O12 Y3 -","- Al16.008 Fe23.992 O96 Y24 -","8","0.0833333","","Rodic, D.; Rundlof, H.; Mitric, M.; Tellgren, R.","The cation distribution and magnetic structure of Y3 Fe5-x Alx O12","Journal of Magnetism and Magnetic Materials","2001","232","","1","8","","","","","","","","","","","","","","","","","","","","","","has coordinates","147543","2020-10-21","18:00:00","" "1526375","12.1649","","12.1649","","12.1649","","90","","90","","90","","1800.22","","","","","","","","","","","","","4","I a -3 d","-I 4bd 2c 3","230","","Y3 Fe2 Al3 O12","","- Al3 Fe2 O12 Y3 -","- Al3.001 Fe1.999 O12 Y3 -","- Al24.008 Fe15.992 O96 Y24 -","8","0.0833333","","Rodic, D.; Rundlof, H.; Tellgren, R.; Mitric, M.","The cation distribution and magnetic structure of Y3 Fe5-x Alx O12","Journal of Magnetism and Magnetic Materials","2001","232","","1","8","","","","","","","","","","","","","","","","","","","","","","has coordinates","147545","2020-10-21","18:00:00","" "1526376","14.173","","17.69","","4.0362","","90","","90","","90","","1011.96","","","","","","","","","","","","","4","P n n m","-P 2 2n","58","","K3 Bi5 Cu2 S10","","- Bi5 Cu2 K3 S10 -","- Bi5 Cu2 K3 S10 -","- Bi10 Cu4 K6 S20 -","2","0.25","","Huang, F.Q.; Mitchell, K.; Ibers, J.A.","Syntheses and structures of the quaternary alkali-metal bismuth coinage-metal chalcogenides K3 Bi5 Cu2 S10, Cs Bi2 Cu S4, Rb Bi2.66 Cu Se5 and Cs Bi Ag2 S3","Journal of Alloys Compd.","2001","325","","84","90","","","","","","","","","","","","","","","","","","","","","","has coordinates","147547","2020-10-21","18:00:00","" "1526377","12.0813","","12.0813","","12.0813","","90","","90","","90","","1763.36","","","","","","","","","","","","","4","I a -3 d","-I 4bd 2c 3","230","","Y3 Fe Al4 O12","","- Al4 Fe O12 Y3 -","- Al3.999 Fe1.001 O12 Y3 -","- Al31.992 Fe8.008 O96 Y24 -","8","0.0833333","","Rodic, D.; Mitric, M.; Tellgren, R.; Rundlof, H.","The cation distribution and magnetic structure of Y3 Fe5-x Alx O12","Journal of Magnetism and Magnetic Materials","2001","232","","1","8","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "1526378","4.073","","14.212","","14.568","","90","","90","","90","","843.276","","","","","","","","","","","","","4","C m c 21","C 2c -2","36","","Cs Bi2 Cu S4","","- Bi2 Cs Cu S4 -","- Bi2 Cs Cu S4 -","- Bi8 Cs4 Cu4 S16 -","4","0.5","","Huang, F.Q.; Mitchell, K.; Ibers, J.A.","Syntheses and structures of the quaternary alkali-metal bismuth coinage-metal chalcogenides K3 Bi5 Cu2 S10, Cs Bi2 Cu S4, Rb Bi2.66 Cu Se5 and Cs Bi Ag2 S3","Journal of Alloys Compd.","2001","325","","84","90","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "1526379","4.1961","","14.42","","18.266","","90","","90","","90","","1105.23","","","","","","","","","","","","","4","C m c m","-C 2c 2","63","","Rb Bi2.66 Cu Se5","","- Bi2.66 Cu Rb Se5 -","- Bi2.66 Cu Rb Se5 -","- Bi10.64 Cu4 Rb4 Se20 -","4","0.25","","Huang, F.Q.; Mitchell, K.; Ibers, J.A.","Syntheses and structures of the quaternary alkali-metal bismuth coinage-metal chalcogenides K3 Bi5 Cu2 S10, Cs Bi2 Cu S4, Rb Bi2.66 Cu Se5 and Cs Bi Ag2 S3","Journal of Alloys Compd.","2001","325","","84","90","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "1526383","4.0762","","13.954","","13.964","","90","","90","","90","","794.262","","","","","","","","","","","","","4","C m c m","-C 2c 2","63","","Rb Nd2 Cu S4","","- Cu Nd2 Rb S4 -","- Cu Nd2 Rb S4 -","- Cu4 Nd8 Rb4 S16 -","4","0.25","","Huang, F.Q.; Ibers, J.A.","Syntheses, structures and physical properties of the new quaternary rare-earth chalcogenides Rb Nd2 Cu S4, Rb Sm2 Cu S4, Cs La2 Cu Se4, Cs Sm2 Cu Se4, Rb Er2 Cu3 S5, Cs Gd2 Ag3 Se5, Cs Tb2 Ag3 Se5 and Rb2 Gd4 Cu4 S9","Journal of Solid State Chemistry","2001","158","","299","306","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "1526384","4.0391","","13.815","","13.86","","90","","90","","90","","773.39","","","","","","","","","","","","","4","C m c m","-C 2c 2","63","","Rb Sm2 Cu S4","","- Cu Rb S4 Sm2 -","- Cu Rb S4 Sm2 -","- Cu4 Rb4 S16 Sm8 -","4","0.25","","Huang, F.Q.; Ibers, J.A.","Syntheses, structures and physical properties of the new quaternaryrare-earth chalcogenides Rb Nd2 Cu S4, Rb Sm2 Cu S4, Cs La2 Cu Se4,Cs Sm2 Cu Se4, Rb Er2 Cu3 S5, Cs Gd2 Ag3 Se5, Cs Tb2 Ag3 Se5 and Rb2 Gd4 Cu4 S9","Journal of Solid State Chemistry","2001","158","","299","306","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "1526385","4.3129","","14.959","","14.798","","90","","90","","90","","954.718","","","","","","","","","","","","","4","C m c m","-C 2c 2","63","","Cs La2 Cu Se4","","- Cs Cu La2 Se4 -","- Cs Cu La2 Se4 -","- Cs4 Cu4 La8 Se16 -","4","0.25","","Huang, F.Q.; Ibers, J.A.","Syntheses, structures and physical properties of the new quaternaryrare-earth chalcogenides Rb Nd2 Cu S4, Rb Sm2 Cu S4, Cs La2 Cu Se4,Cs Sm2 Cu Se4, Rb Er2 Cu3 S5, Cs Gd2 Ag3 Se5, Cs Tb2 Ag3Se5 and Rb2 Gd4 Cu4 S9","Journal of Solid State Chemistry","2001","158","","299","306","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "1526387","4.2066","","14.6101","","14.5164","","90","","90","","90","","892.161","","","","","","","","","","","","","4","C m c m","-C 2c 2","63","","Cs Sm2 Cu Se4","","- Cs Cu Se4 Sm2 -","- Cs Cu Se4 Sm2 -","- Cs4 Cu4 Se16 Sm8 -","4","0.25","","Huang, F.Q.; Ibers, J.A.","Syntheses, structures and physical properties of the new quaternaryrare-earth chalcogenides Rb Nd2 Cu S4, Rb Sm2 Cu S4, Cs La2 Cu Se4,Cs Sm2 Cu Se4, Rb Er2 Cu3 S5, Cs Gd2 Ag3 Se5, Cs Tb2 Ag3Se5 and Rb2 Gd4 Cu4 S9","Journal of Solid State Chemistry","2001","158","","299","306","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "1526388","3.9283","","13.897","","16.348","","90","","90","","90","","892.463","","","","","","","","","","","","","4","C m c m","-C 2c 2","63","","Rb Er2 Cu3 S5","","- Cu3 Er2 Rb S5 -","- Cu3 Er2 Rb S5 -","- Cu12 Er8 Rb4 S20 -","4","0.25","","Huang, F.Q.; Ibers, J.A.","Syntheses, structures and physical properties of the new quaternaryrare-earth chalcogenides Rb Nd2 Cu S4, Rb Sm2 Cu S4, Cs La2 Cu Se4, Cs Sm2 Cu Se4, Rb Er2 Cu3 S5, Cs Gd2 Ag3 Se5, Cs Tb2 Ag3 Se5 and Rb2 Gd4 Cu4 S9","Journal of Solid State Chemistry","2001","158","","299","306","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "1526389","13.897","","3.9883","","16.054","","90","","109.273","","90","","839.932","","","","","","","","","","","","","4","C 1 2/m 1","-C 2y","12","","Rb2 Gd4 Cu4 S9","","- Cu4 Gd4 Rb2 S9 -","- Cu4 Gd4 Rb2 S9 -","- Cu8 Gd8 Rb4 S18 -","2","0.25","","Huang, F.Q.; Ibers, J.A.","Syntheses, structures and physical properties of the new quaternaryrare-earth chalcogenides Rb Nd2 Cu S4, Rb Sm2 Cu S4, Cs La2 Cu Se4, Cs Sm2 Cu Se4, Rb Er2 Cu3 S5, Cs Gd2 Ag3 Se5, Cs Tb2 Ag3 Se5 and Rb2 Gd4 Cu4 S9","Journal of Solid State Chemistry","2001","158","","299","306","","","","","","","","","","","","","","","","","","","","","","has coordinates","147561","2020-10-21","18:00:00","" "1526390","11.4994","","19.17","","6.1251","","90","","90","","90","","1350.24","","","","","","","","","","","","","3","C m c m","-C 2c 2","63","","Gd3 Cu2 Te7","","- Cu2 Gd3 Te7 -","- Cu2 Gd3 Te7 -","- Cu8 Gd12 Te28 -","4","0.25","","Huang, F.Q.; Ibers, J.A.","Gd3 Cu2 Te7 and U2 Cu0.78 Te6: two examples of linear Te chains","Journal of Solid State Chemistry","2001","159","","186","190","","","","","","","","","","","","","","","","","","","","","","has coordinates","147563","2020-10-21","18:00:00","" "1526391","6.1","","4.215","","10.365","","90","","98.978","","90","","263.235","","","","","","","","","","","","","3","P 1 21/m 1","-P 2yb","11","","U2 Cu0.784 Te6","","- Cu0.784 Te6 U2 -","- Cu0.784 Te6 U2 -","- Cu0.784 Te6 U2 -","1","0.25","","Huang, F.Q.; Ibers, J.A.","Gd3 Cu2 Te7 and U2 Cu0.78 Te6: two examples of linear Te chains","Journal of Solid State Chemistry","2001","159","","186","190","","","","","","","","","","","","","","","","","","","","","","has coordinates","147565","2020-10-21","18:00:00","" "1526392","16.552","","17.767","","4.3294","","90","","90","","90","","1273.19","","","","","","","","","","","","","4","P n n m","-P 2 2n","58","","K3 Gd4 Cu5 Te10","","- Cu5 Gd4 K3 Te10 -","- Cu5 Gd4 K3 Te10 -","- Cu10 Gd8 K6 Te20 -","2","0.25","","Huang, F.Q.; Ibers, J.A.","Syntheses and structures of the quaternary copper tellurides K2 Ln4 Cu5 Te10 (Ln = Sm, Gd, Er), Rb3 Ln4 Cu5 Te10 (Ln = Nd, Gd) and Cs3 Gd4 Cu5 Te10","Journal of Solid State Chemistry","2001","160","","409","414","","","","","","","","","","","","","","","","","","","","","","has coordinates","147567","2020-10-21","18:00:00","" "1526393","16.46","","17.55","","4.2926","","90","","90","","90","","1240.02","","","","","","","","","","","","","4","P n n m","-P 2 2n","58","","K3 Er4 Cu5 Te10","","- Cu5 Er4 K3 Te10 -","- Cu5 Er4 K3 Te10 -","- Cu10 Er8 K6 Te20 -","2","0.25","","Huang, F.Q.; Ibers, J.A.","Syntheses and structures of the quaternary copper tellurides K2 Ln4 Cu5 Te10 (Ln = Sm, Gd, Er), Rb3 Ln4 Cu5 Te10 (Ln = Nd, Gd) and Cs3 Gd4 Cu5 Te10","Journal of Solid State Chemistry","2001","160","","409","414","","","","","","","","","","","","","","","","","","","","","","has coordinates","147569","2020-10-21","18:00:00","" "1526394","17.356","","17.82","","4.3811","","90","","90","","90","","1355","","","","","","","","","","","","","4","P n n m","-P 2 2n","58","","Rb3 Nd4 Cu5 Te10","","- Cu5 Nd4 Rb3 Te10 -","- Cu5 Nd4 Rb3 Te10 -","- Cu10 Nd8 Rb6 Te20 -","2","0.25","","Huang, F.Q.; Ibers, J.A.","Syntheses and structures of the quaternary copper tellurides K2 Ln4 Cu5 Te10 (Ln = Sm, Gd, Er), Rb3 Ln4 Cu5 Te10 (Ln = Nd, Gd) and Cs3 Gd4 Cu5 Te10","Journal of Solid State Chemistry","2001","160","","409","414","","","","","","","","","","","","","","","","","","","","","","has coordinates","147571","2020-10-21","18:00:00","" "1526396","17.201","","17.586","","4.3429","","90","","90","","90","","1313.71","","","","","","","","","","","","","4","P n n m","-P 2 2n","58","","Rb3 Gd4 Cu5 Te10","","- Cu5 Gd4 Rb3 Te10 -","- Cu5 Gd4 Rb3 Te10 -","- Cu10 Gd8 Rb6 Te20 -","2","0.25","","Huang, F.Q.; Ibers, J.A.","Syntheses and structures of the quaternary copper tellurides K2 Ln4 Cu5 Te10 (Ln = Sm, Gd, Er), Rb3 Ln4 Cu5 Te10 (Ln = Nd, Gd) and Cs3 Gd4 Cu5 Te10","Journal of Solid State Chemistry","2001","160","","409","414","","","","","","","","","","","","","","","","","","","","","","has coordinates","147573","2020-10-21","18:00:00","" "1526397","17.512","","17.764","","4.3697","","90","","90","","90","","1359.34","","","","","","","","","","","","","4","P n n m","-P 2 2n","58","","Cs3 Gd4 Cu5 Te10","","- Cs3 Cu5 Gd4 Te10 -","- Cs3 Cu5 Gd4 Te10 -","- Cs6 Cu10 Gd8 Te20 -","2","0.25","","Huang, F.Q.; Ibers, J.A.","Syntheses and structures of the quaternary copper tellurides K2 Ln4 Cu5 Te10 (Ln = Sm, Gd, Er), Rb3 Ln4 Cu5 Te10 (Ln = Nd, Gd) and Cs3 Gd4 Cu5 Te10","Journal of Solid State Chemistry","2001","160","","409","414","","","","","","","","","","","","","","","","","","","","","","has coordinates","147575","2020-10-21","18:00:00","" "1526398","4.7725","","7.871","","6.8618","","90","","106.142","","90","","247.597","","","","","","","","","","","","","3","P 1 21 1","P 2yb","4","","V (P2 O7)","","- O7 P2 V -","- O7 P2 V -","- O14 P4 V2 -","2","1","","Rousse, G.; Wurm, C.; Rodriguez-Carvajal, J.; Morcrette, M.; Gaubicher, J.; Masquelier, C.","Crystal structure of a new vanadium(IV) diphosphate: V P2 O7, prepared by lithium extraction from Li V P2 O7","International Journal of Inorganic Materials","2001","3","","881","887","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "1526401","12.948","","12.483","","8.639","","90","","95.76","","90","","1389.27","","","","","","","","","","","","","6","C 1 c 1","C -2yc","9","","(Al P O4)3 ((C H3)2 C O N H) (H2 O)","","- C3 H9 Al3 N O14 P3 -","- C3 H9 Al3 N O14 P3 -","- C12 H36 Al12 N4 O56 P12 -","4","1","","Roux, M.T.; Paillaud, J.L.; Marichal, C.; Fernandez, C.; Baerlocher, C.; Chezeau, J.M.","Structural investigation by multinuclear solid state NMR and X-ray diffraction of as-synthesized, dehydrated, and calcined Al P O4 - SOD","J. Phys. Chem. B","2001","105","","9083","9092","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "1526404","4.364","","4.364","","7.1759","","90","","90","","120","","118.352","","","","","","","","","","","","","3","P 63/m m c","-P 6c 2c","194","","(Cu0.453 Hg0.227) (Cu0.547 Hg0.273) I2","","- Cu Hg0.5 I2 -","- Cu1.0008 Hg0.4998 I2 -","- Cu1.0008 Hg0.4998 I2 -","1","0.0416667","","Hull, S.; Keen, D.A.","Structural characterization of further high temperature superionic phases of Ag2 Hg I4 and Cu2 Hg I4","Journal of Physics: Condensed Matter","2001","13","","5597","5610","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "1526405","5.4975","","5.4975","","13.433","","90","","90","","120","","351.588","","","","","","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","La1.33 Na0.44 Mn0.44 Ti1.56 O6","","- La1.33 Mn0.44 Na0.44 O6 Ti1.56 -","- La1.33 Mn0.44 Na0.44 O6 Ti1.56 -","- La3.99 Mn1.32 Na1.32 O18 Ti4.68 -","3","0.0833333","","Ruiz, A.I.; Ezquerra, T.A.; Pico, C.; Lopez, M.L.; Veiga, M.L.","Electrical behaviour of the system La1.33 Nax Mnx Ti2-x O6 (x = 0.66, 0.55 and 0.44)","International Journal of Inorganic Materials","2001","3","","655","659","","","","","","","","","","","","","","","","","","","","","","has coordinates","147584","2020-10-21","18:00:00","" "1526412","5.3581","","5.3581","","5.2888","","90","","90","","120","","131.495","","","","","","","","","","","","","3","P -3 m 1","-P 3 2""","164","","Rb2 Pd C2","","- C2 Pd Rb2 -","- C2 Pd Rb2 -","- C2 Pd Rb2 -","1","0.0833333","","Ruschewitz, U.","Ternaere Alkalimetall-Uebergangsmetall-Acetylide der Zusammensetzung A2 M C2 mit A = Rb, Cs und M = Pd, Pt","Zeitschrift fuer Anorganische und Allgemeine Chemie","2001","627","","1231","1235","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "1526414","5.3688","","5.3688","","5.2245","","90","","90","","120","","130.416","","","","","","","","","","","","","3","P -3 m 1","-P 3 2""","164","","Rb2 Pt C2","","- C2 Pt Rb2 -","- C2 Pt Rb2 -","- C2 Pt Rb2 -","1","0.0833333","","Ruschewitz, U.","Ternaere Alkalimetall-Uebergangsmetall-Acetylide der Zusammensetzung A2 M C2 mit A = Rb, Cs und M = Pd, Pt","Zeitschrift fuer Anorganische und Allgemeine Chemie","2001","627","","1231","1235","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "1526416","5.6236","","5.6236","","5.2976","","90","","90","","120","","145.09","","","","","","","","","","","","","3","P -3 m 1","-P 3 2""","164","","Cs2 Pd C2","","- C2 Cs2 Pd -","- C2 Cs2 Pd -","- C2 Cs2 Pd -","1","0.0833333","","Ruschewitz, U.","Ternaere Alkalimetall-Uebergangsmetall-Acetylide der Zusammensetzung A2 M C2 mit A = Rb, Cs und M = Pd, Pt","Zeitschrift fuer Anorganische und Allgemeine Chemie","2001","627","","1231","1235","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "1526418","5.6301","","5.6301","","5.2294","","90","","90","","120","","143.554","","","","","","","","","","","","","3","P -3 m 1","-P 3 2""","164","","Cs2 Pt C2","","- C2 Cs2 Pt -","- C2 Cs2 Pt -","- C2 Cs2 Pt -","1","0.0833333","","Ruschewitz, U.","Ternaere Alkalimetall-Uebergangsmetall-Acetylide der Zusammensetzung A2 M C2 mit A = Rb, Cs und M = Pd, Pt","Zeitschrift fuer Anorganische und Allgemeine Chemie","2001","627","","1231","1235","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "1526422","7.5973","","7.5973","","7.0966","","90","","90","","90","","409.608","","","","","","","","","","","","","4","I -4 2 d","I -4 2bw","122","","K (H2 As O4)","","- As H2 K O4 -","- As H2 K O4 -","- As4 H8 K4 O16 -","4","0.25","","Ichikawa, M.; Amasaki, D.; Olovsson, I.; Gustafsson, T.","X-ray structural study of ferroelectric K H2 As O4 and K D2 As O4","Journal of the Physical Society of Japan","2001","70","","2327","2332","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "1526423","7.6237","","7.6237","","7.1163","","90","","90","","90","","413.605","","","","","","","","","","","","","4","I -4 2 d","I -4 2bw","122","","K (D2 As O4)","","- As D2 K O4 -","- As D2 K O4 -","- As4 D8 K4 O16 -","4","0.25","","Ichikawa, M.; Amasaki, D.; Gustafsson, T.; Olovsson, I.","X-ray structural study of ferroelectric K H2 As O4 and K D2 As O4","Journal of the Physical Society of Japan","2001","70","","2327","2332","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "1526427","3.612","","3.612","","5.212","","90","","90","","90","","67.999","","","","","","","","","","","","","2","P 42/n m c :1","P 4n 2n -1n","137","","Zr O2","","- O2 Zr -","- O2 Zr -","- O4 Zr2 -","2","0.125","","Igawa, N.; Ishii, Y.","Crystal structure of metastable tetragonal zirconia up to 1473 K","Journal of the American Ceramic Society","2001","84","","1169","1171","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "1526432","4.18","","4.18","","13.98","","90","","90","","90","","244.264","","","","","","","","","","","","","2","I 41/a m d :2","-I 4bd 2","141","","Nd Ge1.667","","- Ge1.667 Nd -","- Ge1.666 Nd -","- Ge6.664 Nd4 -","4","0.125","","Salamakha, P.S.; Sologub, O.L.; Righi, L.; Demchenko, P.; Bocelli, G.","Crystal structure of the Nd Ge1.66 compound","Journal of Alloys Compd.","2001","315","","1","3","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "1526433","4.153","","4.153","","10.363","","90","","90","","90","","178.735","","","","","","","","","","","","","3","I 4/m m m","-I 4 2","139","","Nd Rh2 Ge2","","- Ge2 Nd Rh2 -","- Ge2 Nd Rh2 -","- Ge4 Nd2 Rh4 -","2","0.0625","","Salamakha, P.S.; Sologub, O.L.; Righi, L.; Bocelli, G.","Single-crystal investigation of the neodymium rhodium germanides Nd Rh2 Ge2, Nd2 Rh3 Ge5 and Nd Rh0.79 Ge0.54","Journal of Alloys Compd.","2001","316","","220","225","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "1526435","11.61","","12.133","","5.929","","90","","119.7","","90","","725.467","","","","","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","Nd2 Rh3 Ge5","","- Ge5 Nd2 Rh3 -","- Ge5 Nd2 Rh3 -","- Ge20 Nd8 Rh12 -","4","0.5","","Salamakha, P.S.; Sologub, O.L.; Bocelli, G.; Righi, L.","Single-crystal investigation of the neodymium rhodium germanides Nd Rh2 Ge2, Nd2 Rh3 Ge5 and Nd Rh0.79 Ge0.54","Journal of Alloys Compd.","2001","316","","220","225","","","","","","","","","","","","","","","","","","","","","","has coordinates","147620","2020-10-21","18:00:00","" "1526436","4.619","","4.619","","3.1038","","90","","90","","90","","66.22","","","","","","","","","","","","","3","P 42/m n m","-P 4n 2n","136","","Rh (Sb O4)","","- O4 Rh Sb -","- O4 Rh Sb -","- O4 Rh Sb -","1","0.0625","","Isasi, J.","New M M' O4 oxides derived from the rutile type: synthesis, structure and study of magnetic and electronic properties","Journal of Alloys Compd.","2001","322","","89","96","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "1526437","3.995","","3.995","","3.995","","90","","90","","90","","63.76","","","","","","","","","","","","","3","P m -3 m","-P 4 2 3","221","","Nd Rh0.79 Ge0.54","","- Ge0.54 Nd Rh0.79 -","- Ge0.54 Nd Rh0.79 -","- Ge0.54 Nd Rh0.79 -","1","0.0208333","","Salamakha, P.S.; Bocelli, G.; Sologub, O.L.; Righi, L.","Single-crystal investigation of the neodymium rhodium germanides NdRh2 Ge2, Nd2 Rh3 Ge5 and Nd Rh0.79 Ge0.54","Journal of Alloys Compd.","2001","316","","220","225","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "1526438","5.933","","11.385","","8.239","","90","","90","","90","","556.521","","","","","","","","","","","","","3","C m c a","-C 2ac 2","64","","Ni1.5 (V O4)","","- Ni1.5 O4 V -","- Ni1.5 O4 V -","- Ni12 O32 V8 -","8","","","Isasi, J.","New M M' O4 oxides derived from the rutile type: synthesis, structure and study of magnetic and electronic properties","Journal of Alloys Compd.","2001","322","","89","96","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "1526440","6.102","","4.647","","5.547","","90","","123.44","","90","","131.253","","","","","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","Ni (Te O4)","","- Ni O4 Te -","- Ni O4 Te -","- Ni2 O8 Te2 -","2","0.5","","Isasi, J.","New M M' O4 oxides derived from the rutile type: synthesis, structure and study of magnetic and electronic properties","Journal of Alloys Compd.","2001","322","","89","96","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "1526441","5.3978","","5.5917","","7.7059","","90","","90","","90","","232.586","","","","","","","","","","","","","3","P b n m","-P 2c 2ab","62","","Sm Fe O3","","- Fe O3 Sm -","- Fe O3 Sm -","- Fe4 O12 Sm4 -","4","0.5","","Sangaletti, L.; Depero, L.E.; Allieri, B.; Nunziante, P.; Traversa, E.","An X-ray study of the trimetallic Lax Sm1-x Fe O3 orthoferrites","Journal of the European Ceramic Society","2001","21","","719","726","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "1526442","6.192","","4.671","","5.567","","90","","124.07","","90","","133.376","","","","","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","Co (Te O4)","","- Co O4 Te -","- Co O4 Te -","- Co2 O8 Te2 -","2","0.5","","Isasi, J.","New M M' O4 oxides derived from the rutile type: synthesis, structure and study of magnetic and electronic properties","Journal of Alloys Compd.","2001","322","","89","96","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "1526443","5.4079","","5.5887","","7.7158","","90","","90","","90","","233.196","","","","","","","","","","","","","4","P b n m","-P 2c 2ab","62","","(La0.2 Sm0.8) Fe O3","","- Fe La0.2 O3 Sm0.8 -","- Fe La0.2 O3 Sm0.8 -","- Fe4 La0.8 O12 Sm3.2 -","4","0.5","","Sangaletti, L.; Depero, L.E.; Traversa, E.; Nunziante, P.; Allieri, B.","An X-ray study of the trimetallic Lax Sm1-x Fe O3 orthoferrites","Journal of the European Ceramic Society","2001","21","","719","726","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "1526444","8.686","","8.792","","24.146","","90","","90","","90","","1843.96","","","","","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","Li2 Mn2 (S O4)3","","- Li2 Mn2 O12 S3 -","- Li2 Mn2 O12 S3 -","- Li16 Mn16 O96 S24 -","8","1","","Isasi, J.; Train, C.; Jaulmes, S.; Quarton, M.; Elfakir, A.","Crystal structure and magnetic properties of Li2 Mn2 (S O4)3","Journal of Solid State Chemistry","2001","158","","148","153","","","","","","","","","","","","","","","","","","","","","","has coordinates","147629","2020-10-21","18:00:00","" "1526445","5.4217","","5.5866","","7.729","","90","","90","","90","","234.103","","","","","","","","","","","","","4","P b n m","-P 2c 2ab","62","","(La0.4 Sm0.6) Fe O3","","- Fe La0.4 O3 Sm0.6 -","- Fe La0.4 O3 Sm0.6 -","- Fe4 La1.6 O12 Sm2.4 -","4","0.5","","Sangaletti, L.; Depero, L.E.; Allieri, B.; Traversa, E.; Nunziante, P.","An X-ray study of the trimetallic Lax Sm1-x Fe O3 orthoferrites","Journal of the European Ceramic Society","2001","21","","719","726","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "1526447","5.4415","","5.5813","","7.749","","90","","90","","90","","235.342","","","","","","","","","","","","","4","P b n m","-P 2c 2ab","62","","(La0.6 Sm0.4) Fe O3","","- Fe La0.6 O3 Sm0.4 -","- Fe La0.6 O3 Sm0.4 -","- Fe4 La2.4 O12 Sm1.6 -","4","0.5","","Sangaletti, L.; Depero, L.E.; Traversa, E.; Allieri, B.; Nunziante, P.","An X-ray study of the trimetallic Lax Sm1-x Fe O3 orthoferrites","Journal of the European Ceramic Society","2001","21","","719","726","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "1526449","5.492","","5.571","","7.81","","90","","90","","90","","238.954","","","","","","","","","","","","","4","P b n m","-P 2c 2ab","62","","(La0.8 Sm0.2) Fe O3","","- Fe La0.8 O3 Sm0.2 -","- Fe La0.8 O3 Sm0.2 -","- Fe4 La3.2 O12 Sm0.8 -","4","0.5","","Sangaletti, L.; Depero, L.E.; Allieri, B.; Nunziante, P.; Traversa, E.","An X-ray study of the trimetallic Lax Sm1-x Fe O3 orthoferrites","Journal of the European Ceramic Society","2001","21","","719","726","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "1526450","5.552","","5.563","","7.843","","90","","90","","90","","242.237","","","","","","","","","","","","","3","P b n m","-P 2c 2ab","62","","La (Fe O3)","","- Fe La O3 -","- Fe La O3 -","- Fe4 La4 O12 -","4","0.5","","Sangaletti, L.; Depero, L.E.; Allieri, B.; Nunziante, P.; Traversa, E.","An X-ray study of the trimetallic Lax Sm1-x Fe O3 orthoferrites","Journal of the European Ceramic Society","2001","21","","719","726","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "1526451","9.7248","","9.7248","","7.1895","","90","","90","","120","","588.831","","","","","","","","","","","","","3","P -3","-P 3","147","","La9.33 (Si O4)6 O2","","- La9.33 O26 Si6 -","- La9.26 O25.96 Si6 -","- La9.26 O25.96 Si6 -","1","0.166667","","Sansom, J.E.H.; Richings, D.; Slater, P.R.","A powder neutron diffraction study of the oxide-ion-conducting apatite-type phases, La9.33 Si6 O26 and La8 Sr2 Si6 O26","Solid State Ionics","2001","139","","205","210","","","","","","","","","","","","","","","","","","","","","","has coordinates","147638","2020-10-21","18:00:00","" "1526452","9.7083","","9.7083","","7.2377","","90","","90","","120","","590.769","","","","","","","","","","","","","4","P -3","-P 3","147","","(La6.9 Sr3.1) (Si O4)6 O2","","- La6.9 O26 Si6 Sr3.1 -","- La6.9 O26 Si6 Sr3.1 -","- La6.9 O26 Si6 Sr3.1 -","1","0.166667","","Sansom, J.E.H.; Richings, D.; Slater, P.R.","A powder neutron diffraction study of the oxide-ion-conducting apatite-type phases, La9.33 Si6 O26 and La8 Sr2 Si6 O26","Solid State Ionics","2001","139","","205","210","","","","","","","","","","","","","","","","","","","","","","has coordinates","147640","2020-10-21","18:00:00","" "1526456","5.6618","","5.6618","","6.9407","","90","","90","","120","","192.683","","","","","","","","","","","","","4","R 3 m :H","R 3 -2""","160","","Pb ((Fe Ta) O6)0.5","","- Fe0.5 O3 Pb Ta0.5 -","- Fe0.5 O3 Pb Ta0.5 -","- Fe1.5 O9 Pb3 Ta1.5 -","3","0.166667","","Ivanov, S.A.; Eriksson, S.; Thomas, N.W.; Tellgren, R.; Rundlof, H.","A neutron powder diffraction study of the ferroelectric relaxor Pb (Fe1/2 Ta1/2) O3","Journal of Physics: Condensed Matter","2001","13","","25","33","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "1526457","7.217","","7.217","","17.91","","90","","90","","120","","807.867","","","","","","","","","","","","","3","P 63/m m c","-P 6c 2c","194","","Cs3 (Cr2 Cl9)","","- Cl9 Cr2 Cs3 -","- Cl9 Cr2 Cs3 -","- Cl18 Cr4 Cs6 -","2","0.0833333","","Sassmannshausen, M.; Lutz, H.D.","Caesiumchromhalogenide Cs3 Cr Cl6, Cs3 Cr2 Cl9 und Cs3 Cr Br6 - Darstellung, Eigenschaften, Kristallstruktur","Zeitschrift fuer Anorganische und Allgemeine Chemie","2001","627","","1071","1076","","","","","","","","","","","","","","","","","","","","","","has coordinates","147646","2020-10-21","18:00:00","" "1526458","5.8444","","8.1574","","7.5032","","90","","112.97","","90","","329.352","","","","","","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","","","","- Bi2 O3 -","- Bi2 O3 -","- Bi8 O12 -","4","1","","Ivanov, S.A.; Orlov, V.G.; Tellgren, R.; Rundlof, H.","Structural studies of alpha-(Bi2 O3) by neutron powder diffraction","Powder Diffraction","2001","16","","227","230","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00","" "1526459","9.4372","","9.4372","","6.8881","","90","","90","","120","","531.271","","","","","","","","","","","","","6","P 63/m","-P 6c","176","","Ca3.4 (Ca5.9 (N H4)0.09) ((P O4)4.95 (C O3)1.08 (H2 O)0.45) ((O H)1.65 (H2 O)0.75)","","- C1.08 H4.41 Ca9.3 N0.09 O25.89 P4.95 -","- C1.08 Ca9.302 N0.09 O25.898 P4.944 -","- C1.08 Ca9.302 N0.09 O25.898 P4.944 -","1","0.0833333","","Ivanova, T.I.; Ugolkov, V.L.; Koltsov, A.B.; Frank-Kamenetskaya, O.V.","Crystal structure of calcium-deficient carbonated hydroxyapatite. Thermal decomposition","Journal of Solid State Chemistry","2001","160","","340","349","","","","","","","","","","","","","","","","","","","","","","has coordinates","147650","2020-10-21","18:00:00","" "1526464","3.9012","","3.9012","","11.7679","","90","","90","","90","","179.1","","","","","","","","","","","","","5","P 4/m m m","-P 4 2","123","","Sm1.06 Ba1.94 Cu2.65 Al0.35 O6.4","","- Al0.35 Ba1.94 Cu2.65 O6.4 Sm1.06 -","- Al0.35 Ba1.94 Cu2.65 O6.4 Sm1.06 -","- Al0.35 Ba1.94 Cu2.65 O6.4 Sm1.06 -","1","0.0625","","Scavini, M.; Bianchi, R.","Structure of Al defect in high-temperature superconductor, Al-doped Sm-123: an electron density study","Journal of Solid State Chemistry","2001","161","","396","401","","","","","","","","","","","","","","","","","","","","","","has coordinates","147656","2020-10-21","18:00:00","" "1526466","3.9067","","3.9067","","11.7375","","90","","90","","90","","179.141","","","","","","","","","","","","","5","P 4/m m m","-P 4 2","123","","Sm1.06 Ba1.94 Cu2.65 Al0.35 O6.8","","- Al0.35 Ba1.94 Cu2.65 O6.8 Sm1.06 -","- Al0.35 Ba1.94 Cu2.65 O6.8 Sm1.06 -","- Al0.35 Ba1.94 Cu2.65 O6.8 Sm1.06 -","1","0.0625","","Scavini, M.; Bianchi, R.","Structure of Al defect in high-temperature superconductor, Al-dopedSm-123: an electron density study","Journal of Solid State Chemistry","2001","161","","396","401","","","","","","","","","","","","","","","","","","","","","","has coordinates","147658","2020-10-21","18:00:00","" "1526472","9.0698","","6.7341","","18.2663","","90","","93.092","","90","","1114.03","","","","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","K4 (Cd3 (H P O4)4 (H2 P O4)2)","","- Cd3 H8 K4 O24 P6 -","- Cd3 K4 O24 P6 -","- Cd6 K8 O48 P12 -","2","0.5","","Jayaraman, K.; Vaidhyanathan, R.; Natarajan, S.; Rao, C.N.R.","The first open-framework cadmium phosphate, K4 (Cd3 (H P O4)4 (H2 P O4)2), with a layered structure","Journal of Solid State Chemistry","2001","162","","188","194","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "1526473","13.0982","","5.4115","","5.4242","","90","","90","","90","","384.472","","","","","","","","","","","","","4","P b c m","-P 2c 2b","57","","K Sm (Ti O4)","","- K O4 Sm Ti -","- K0.95 O4.09 Sm0.982 Ti1.012 -","- K3.8 O16.36 Sm3.928 Ti4.048 -","4","0.5","","Schaak, R.E.; Mallouk, T.E.","K Ln Ti O4 (Ln = La, Nd, Sm, Eu, Gd, Dy): a new series of Ruddlesden-Popper phases synthesized by ion-exchange of H Ln Ti O4","Journal of Solid State Chemistry","2001","161","","225","232","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "1526474","13.115","","13.276","","15.024","","107.05","","114.24","","105.02","","2052.97","","","","","","","","","","","","","4","P -1","-P 1","2","","Na8 (H3 Sb Ni W17 O59 (H2 O)) (H2 O)36","","- Ni O60 Sb W17 -","- Ni O60 Sb W17 -","- Ni O60 Sb W17 -","1","0.5","","Jeannin, Y.","Synthese et etude structurale d'un nouvel heteropolytungstate substitue :Na8(H3X(III)M(II)W17O59(H2O))*36(H2 O)(X=Sb(III) ,Bi(III) et M=Mn(2+),Co(2+),Ni(2+),Cu(2+),Zn(2+)) de structure identique a celle de (H2X(III)W18O60)(7-) (X=AS,BI)","C.R. Acad. Sci. Paris, T. 1, Serie II","2001","4","","683","690","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "1526475","13.0045","","5.4116","","5.4205","","90","","90","","90","","381.469","","","","","","","","","","","","","4","P b c m","-P 2c 2b","57","","K Eu (Ti O4)","","- Eu K O4 Ti -","- Eu0.96 K1.034 O4.1 Ti1.016 -","- Eu3.84 K4.136 O16.4 Ti4.064 -","4","0.5","","Schaak, R.E.; Mallouk, T.E.","K Ln Ti O4 (Ln = La, Nd, Sm, Eu, Gd, Dy): a new series of Ruddlesden-Popper phases synthesized by ion-exchange of H Ln Ti O4","Journal of Solid State Chemistry","2001","161","","225","232","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "1526477","12.9564","","5.417","","5.4228","","90","","90","","90","","380.598","","","","","","","","","","","","","4","P b c m","-P 2c 2b","57","","K Gd (Ti O4)","","- Gd K O4 Ti -","- Gd1.001 K0.948 O4.1 Ti1.007 -","- Gd4.004 K3.792 O16.4 Ti4.028 -","4","0.5","","Schaak, R.E.; Mallouk, T.E.","K Ln Ti O4 (Ln = La, Nd, Sm, Eu, Gd, Dy): a new series of Ruddlesden-Popper phases synthesized by ion-exchange of H Ln Ti O4","Journal of Solid State Chemistry","2001","161","","225","232","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "1526479","12.8102","","5.4303","","5.4299","","90","","90","","90","","377.721","","","","","","","","","","","","","4","P b c m","-P 2c 2b","57","","K Dy (Ti O4)","","- Dy K O4 Ti -","- Dy0.983 K0.996 O4.13 Ti1.013 -","- Dy3.932 K3.984 O16.52 Ti4.052 -","4","0.5","","Schaak, R.E.; Mallouk, T.E.","K Ln Ti O4 (Ln = La, Nd, Sm, Eu, Gd, Dy): a new series of Ruddlesden-Popper phases synthesized by ion-exchange of H Ln Ti O4","Journal of Solid State Chemistry","2001","161","","225","232","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "1526489","10.488","","10.488","","10.488","","90","","90","","90","","1153.66","","","","","","","","","","","","","4","F d -3 m :2","-F 4vw 2vw 3","227","","Zn (Cr1.971 Ni0.029) Se4","","- Cr1.971 Ni0.029 Se4 Zn -","- Cr1.971 Ni0.029 Se4 Zn -","- Cr15.768 Ni0.232 Se32 Zn8 -","8","0.0416667","","Jendrzejewska, I.; Waskowska, A.; Mydlarz, T.","Influence of nickel substitution on the cation distribution and magnetic properties of Zn Cr2 Se4","Journal of Alloys Compd.","2001","327","","73","77","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "1526492","3.9912","","3.9912","","5.4709","","90","","90","","120","","75.474","","","","","","","","","","","","","2","P -3 m 1","-P 3 2""","164","","","","- Ir Te2 -","- Ir Te2 -","- Ir Te2 -","1","0.0833333","","Jobic, S.; Brec, R.; Pasturel, A.; Koo, H.-J.; Whangbo Myunghwan","Theoretical study of possible iridium ditelluride phases attainable under high pressure","Journal of Solid State Chemistry","2001","162","","63","68","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00","" "1526494","20.1978","","4.0713","","5.4129","","90","","90.44","","90","","445.097","","","","","","","","","","","","","2","C 1 2/m 1","-C 2y","12","","","","- Ir Te2 -","- Ir Te2 -","- Ir6 Te12 -","6","0.75","","Jobic, S.; Brec, R.; Pasturel, A.; Koo, H.-J.; Whangbo Myunghwan","Theoretical study of possible iridium ditelluride phases attainable under high pressure","Journal of Solid State Chemistry","2001","162","","63","68","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00","" "1526496","6.5547","","6.5547","","6.5547","","90","","90","","90","","281.617","","","","","","","","","","","","","2","P a -3","-P 2ac 2ab 3","205","","","","- Ir Te2 -","- Ir Te2 -","- Ir4 Te8 -","4","0.166667","","Jobic, S.; Pasturel, A.; Brec, R.; Koo, H.-J.; Whangbo Myunghwan","Theoretical study of possible iridium ditelluride phases attainable under high pressure","Journal of Solid State Chemistry","2001","162","","63","68","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00","" "1526498","13.5116","","4.0671","","5.5275","","90","","90","","90","","303.753","","","","","","","","","","","","","2","P n m a","-P 2ac 2n","62","","","","- Ir Te2 -","- Ir Te2 -","- Ir4 Te8 -","4","0.5","","Jobic, S.; Brec, R.; Whangbo Myunghwan; Pasturel, A.; Koo, H.-J.","Theoretical study of possible iridium ditelluride phases attainable under high pressure","Journal of Solid State Chemistry","2001","162","","63","68","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00","" "1526500","6.1472","","6.1472","","4.2017","","90","","90","","90","","158.774","","","","","","","","","","","","","2","P 42/m n m","-P 4n 2n","136","","","","- Ir Te2 -","- Ir Te2 -","- Ir2 Te4 -","2","0.125","","Jobic, S.; Brec, R.; Pasturel, A.; Whangbo Myunghwan; Koo, H.-J.","Theoretical study of possible iridium ditelluride phases attainable under high pressure","Journal of Solid State Chemistry","2001","162","","63","68","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00","" "1526502","22.9525","","4.0789","","6.4761","","90","","90","","90","","606.299","","","","","","","","","","","","","2","P n m a","-P 2ac 2n","62","","","","- Ir Te2 -","- Ir Te2 -","- Ir8 Te16 -","8","1","","Jobic, S.; Brec, R.; Pasturel, A.; Whangbo Myunghwan; Koo, H.-J.","Theoretical study of possible iridium ditelluride phases attainable under high pressure","Journal of Solid State Chemistry","2001","162","","63","68","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00","" "1526507","3.0823","","3.0823","","3.51461","","90","","90","","120","","28.917","","","","","","","","","","","","","2","P 6/m m m","-P 6 2","191","","Mg B2","","- B2 Mg -","- B2 Mg -","- B2 Mg -","1","0.0416667","","Jorgensen, J.D.; Hinks, D.G.; Short, S.","Lattice properties of Mg B2 versus temperature and pressure","Physical Review, Serie 3. B - Condensed Matter (18,1978-)","2001","63","","2245221","2245225","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "1526515","34.973","","7.934","","15.943","","90","","103.55","","90","","4300.66","","","","","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","Sr10 (Ga6 O19)","","- Ga6 O19 Sr10 -","- Ga6 O19 Sr10 -","- Ga48 O152 Sr80 -","8","1","","Kahlenberg, V.","The crystal structures of the strontium gallates Sr10 Ga6 O19 and Sr3 Ga2 O6","Journal of Solid State Chemistry","2001","160","","421","429","","","","","","","","","","","","","","","","","","","","","","has coordinates","147713","2020-10-21","18:00:00","" "1526517","16.1049","","16.1049","","16.1049","","90","","90","","90","","4177.09","","","","","","","","","","","","","3","P a -3","-P 2ac 2ab 3","205","","Sr3 (Ga2 O6)","","- Ga2 O6 Sr3 -","- Ga2 O6 Sr3 -","- Ga48 O144 Sr72 -","24","1","","Kahlenberg, V.","The crystal structures of the strontium gallates Sr10 Ga6 O19 and Sr3 Ga2 O6","Journal of Solid State Chemistry","2001","160","","421","429","","","","","","","","","","","","","","","","","","","","","","has coordinates","147715","2020-10-21","18:00:00","" "1526519","8.1098","","9.1177","","10.8495","","90","","90","","91.53","","801.956","","","","","","","","","","","","","3","P 1 1 21/n","-P 2n","14","","Sr Fe2 O4","","- Fe2 O4 Sr -","- Fe2 O4 Sr -","- Fe16 O32 Sr8 -","8","2","","Kahlenberg, V.; Fischer, R.X.","Structural characterization of strontium monoferrite Sr Fe2 O4, a new stuffed framework compound","Solid State Sciences","2001","3","","433","439","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "1526524","12.095","","5.6","","7.06","","90","","90","","90","","478.188","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","Tm2 Ba Cu O5","","- Ba Cu O5 Tm2 -","- Ba Cu O5 Tm2 -","- Ba4 Cu4 O20 Tm8 -","4","0.5","","Kan, A.; Ogawa, H.; Ohsato, H.; Ishihara, S.","Effects of variations in crystal structure on microwave dielectric properties of Y2 Ba Cu O5","Journal of the European Ceramic Society","2001","21","","2593","2598","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "1526526","12.12","","5.613","","7.093","","90","","90","","90","","482.534","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","Er2 Ba Cu O5","","- Ba Cu Er2 O5 -","- Ba Cu Er2 O5 -","- Ba4 Cu4 Er8 O20 -","4","0.5","","Kan, A.; Ishihara, S.; Ogawa, H.; Ohsato, H.","Effects of variations in crystal structure on microwave dielectric properties of Y2 Ba Cu O5","Journal of the European Ceramic Society","2001","21","","2593","2598","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "1526528","12.248","","5.66","","7.173","","90","","90","","90","","497.259","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","Dy2 Ba Cu O5","","- Ba Cu Dy2 O5 -","- Ba Cu Dy2 O5 -","- Ba4 Cu4 Dy8 O20 -","4","0.5","","Kan, A.; Ohsato, H.; Ogawa, H.; Ishihara, S.","Effects of variations in crystal structure on microwave dielectric properties of Y2 Ba Cu O5","Journal of the European Ceramic Society","2001","21","","2593","2598","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "1526542","11.5846","","11.5846","","11.5846","","90","","90","","90","","1554.69","","","","","","","","","","","","","4","F m -3 m","-F 4 2 3","225","","(N H4) Y3 F10","","- F10 H4 N Y3 -","- F10 N Y3 -","- F80 N8 Y24 -","8","0.0416667","","Kang, Z.J.; Lin, J.-H.; Wang, Y.-X.; You, F.T.","Hydrothermal syntheses and crystal structure of N H4 Ln3 F10 (Ln = Dy, Ho, Y, Er, Tm)","Journal of Solid State Chemistry","2001","158","","358","362","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "1526550","3.8299","","3.8676","","27.1707","","90","","90","","90","","402.467","","","","","","","","","","","","","5","A m m m","-A 2 2","65","","Y (Ba0.89 Sr0.11)2 Cu4 O8","","- Ba1.78 Cu4 O8 Sr0.22 Y -","- Ba1.78 Cu4 O8 Sr0.22 Y -","- Ba3.56 Cu8 O16 Sr0.44 Y2 -","2","0.125","","Karpinski, J.; Kazakov, S.M.; Angst, M.; Mironov, A.; Mali, M.; Roos, J.","Influence of Sr substitution on the structure, charge distribution,and critical temperature of Y (Ba1-x Srx)2 Cu4 O8 single crystals","Physical Review, Serie 3. B - Condensed Matter (18,1978-)","2001","64","","945181","9451812","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "1526552","3.8232","","3.8644","","27.1387","","90","","90","","90","","400.957","","","","","","","","","","","","","5","A m m m","-A 2 2","65","","Y (Ba0.84 Sr0.16)2 Cu4 O8","","- Ba1.68 Cu4 O8 Sr0.32 Y -","- Ba1.68 Cu4 O8 Sr0.32 Y -","- Ba3.36 Cu8 O16 Sr0.64 Y2 -","2","0.125","","Karpinski, J.; Kazakov, S.M.; Mironov, A.; Angst, M.; Roos, J.; Mali, M.","Influence of Sr substitution on the structure, charge distribution,and critical temperature of Y (Ba1-x Srx)2 Cu4 O8 single crystals","Physical Review, Serie 3. B - Condensed Matter (18,1978-)","2001","64","","945181","9451812","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "1526554","3.8086","","3.8601","","27.0588","","90","","90","","90","","397.807","","","","","","","","","","","","","5","A m m m","-A 2 2","65","","Y (Ba0.69 Sr0.31)2 Cu4 O8","","- Ba1.38 Cu4 O8 Sr0.62 Y -","- Ba1.38 Cu4 O8 Sr0.62 Y -","- Ba2.76 Cu8 O16 Sr1.24 Y2 -","2","0.125","","Karpinski, J.; Mironov, A.; Kazakov, S.M.; Angst, M.; Roos, J.; Mali, M.","Influence of Sr substitution on the structure, charge distribution,and critical temperature of Y (Ba1-x Srx)2 Cu4 O8 single crystals","Physical Review, Serie 3. B - Condensed Matter (18,1978-)","2001","64","","945181","9451812","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "1526556","5.8067","","5.8067","","13.19","","90","","90","","120","","385.154","","","","","","","","","","","","","3","P 63/m m c","-P 6c 2c","194","","Sr (V6 O11)","","- O11 Sr V6 -","- O11 Sr V6 -","- O22 Sr2 V12 -","2","0.0833333","","Kato, H.; Kato, M.; Kosuge, K.; Yoshimura, K.","Structural and magnetic phase transitions of A V6 O11 (A = Na, Sr and Pb)","Journal of Physics: Condensed Matter","2001","13","","9311","9333","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "1526558","5.362","","7.328","","12.681","","90","","90","","90","","498.271","","","","","","","","","","","","","5","P n m a","-P 2ac 2n","62","","(Na0.87 Ca2.13) (Ge O4) F","","- Ca2.13 F Ge Na0.87 O4 -","- Ca2.13 F Ge Na0.87 O4 -","- Ca8.52 F4 Ge4 Na3.48 O16 -","4","0.5","","Schneemeyer, L.F.; Guterman, L.; Siegrist, T.; Kowach, G.R.","Synthesis and structure of a new germanate fluoride: Na Ca2 Ge O4 F","Journal of Solid State Chemistry","2001","160","","33","38","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "1526559","5.831","","5.831","","13.3008","","90","","90","","120","","391.647","","","","","","","","","","","","","3","P 63/m m c","-P 6c 2c","194","","Pb (V6 O11)","","- O11 Pb V6 -","- O11 Pb V6 -","- O22 Pb2 V12 -","2","0.0833333","","Kato, H.; Kato, M.; Yoshimura, K.; Kosuge, K.","Structural and magnetic phase transitions of A V6 O11 (A = Na, Sr and Pb)","Journal of Physics: Condensed Matter","2001","13","","9311","9333","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "1526564","2.015","","2.015","","3.237","","90","","90","","120","","11.382","","","","","","","","","","","","","1","P 63/m m c","-P 6c 2c","194","","","","- D2 -","- D2 -","- D2 -","1","0.0416667","","Kawamura, H.; Akahama, Y.; Shimomura, O.; Umemoto, S.; Takemura, K.; Ohishi, Y.","X-ray powder diffraction from solid deuterium","Solid State Communications","2001","119","","29","32","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00","" "1526571","8.1895","","8.1895","","8.1895","","90","","90","","90","","549.253","","","","","","","","","","","","","4","F m -3 m","-F 4 2 3","225","","Sr2 Sc Bi O6","","- Bi O6 Sc Sr2 -","- Bi O6 Sc Sr2 -","- Bi4 O24 Sc4 Sr8 -","4","0.0208333","","Kazin, P.E.; Zaytsev, D.D.; Abakumov, A.M.; Khasanova, N.R.; Tret'yakov, Yu.D.; van Tendeloo, G.; Jansen, M.","Synthesis and crystal structure of Sr2 Sc Bi O6","Journal of Solid State Chemistry","2001","162","","142","147","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "1526589","13.546","","13.546","","13.557","","90","","90","","90","","2487.63","","","","","","","","","","","","","6","I b c a","-I 2b 2c","73","","Li1.29 Na0.518 (Al1.84 Si4.16 O12) (H2 O)2","","- Al1.84 H4 Li1.29 Na0.518 O14 Si4.16 -","- Al1.84 Li1.29 Na0.518 O14 Si4.16 -","- Al14.72 Li10.32 Na4.144 O112 Si33.28 -","8","0.5","","Seryotkin, Yu.V.; Bakakin, V.V.; Bazhan, I.S.","Crystal structure of lithium-sodium (Li0.7 Na0.3)-analcime","Zhurnal Strukturnoi Khimii (Issue-No. from 1981)","2001","42","","607","611","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "1526591","3.8445","","3.9094","","11.68","","90","","90","","90","","175.547","","","","","","","","","","","","","1","P m m m","-P 2 2","47","","Gd Ba2 Cu3 O6.874","","- Gd -","- Gd -","- Gd -","1","0.125","","Shakeripour, H.; Akhavan, M.","Investigation of structure and transport properties of Gd~1-x-z~Pr~x~Ca~z~Ba~2~Cu~3~O~7-δ~ system","Superconductor Science and Technology","2001","14","4","213","217","10.1088/0953-2048/14/4/306","","","","","","","","","","","","","","","","","","","","","has coordinates","206903","2020-10-21","18:00:00","" "1526593","3.8545","","3.9079","","11.698","","90","","90","","90","","176.207","","","","","","","","","","","","","2","P m m m","-P 2 2","47","","Gd0.94 Ca0.04 Ba2 Cu3 O6.88","","- Ca0.04 Gd0.94 -","- Ca0.04 Gd0.94 -","- Ca0.04 Gd0.94 -","1","0.125","","Shakeripour, H.; Akhavan, M.","Investigation of structure and transport properties of Gd~1-x-z~Pr~x~Ca~z~Ba~2~Cu~3~O~7-δ~ system","Superconductor Science and Technology","2001","14","4","213","217","10.1088/0953-2048/14/4/306","","","","","","","","","","","","","","","","","","","","","has coordinates","206903","2020-10-21","18:00:00","" "1526594","12.773","","12.773","","5.051","","90","","90","","120","","713.664","","","","","","","","","","","","","6","P 63 m c","P 6c -2c","186","","(Fe10.14 Zn1.80) (As O3)6 (O H)6 (As1.536 Si0.492 O6 (O H)0.492)","","- As7.536 Fe10.14 H6.492 O30.492 Si0.492 Zn1.8 -","- As7.536 Fe10.14 H6.492 O30.492 Si0.492 Zn1.8 -","- As7.536 Fe10.14 H6.492 O30.492 Si0.492 Zn1.8 -","1","0.0833333","","Keller, P.","Ekatite, (Fe(3+), Fe(2+), Zn)12 (O H)6 (As O3)6 (As O3, H O Si O3)2, a new mineral from Tsumeb, Namibia, and its crystal structure","European Journal of Mineralogy (1,1989-)","2001","13","","769","777","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "1526595","3.8547","","3.9139","","11.676","","90","","90","","90","","176.155","","","","","","","","","","","","","2","P m m m","-P 2 2","47","","Gd0.848 Ca0.148 Ba2 Cu3 O6.856","","- Ca0.148 Gd0.848 -","- Ca0.148 Gd0.848 -","- Ca0.148 Gd0.848 -","1","0.125","","Shakeripour, H.; Akhavan, M.","Investigation of structure and transport properties of Gd~1-x-z~Pr~x~Ca~z~Ba~2~Cu~3~O~7-δ~ system","Superconductor Science and Technology","2001","14","4","213","217","10.1088/0953-2048/14/4/306","","","","","","","","","","","","","","","","","","","","","has coordinates","206903","2020-10-21","18:00:00","" "1526596","7.8126","","7.8126","","7.8126","","90","","90","","90","","476.855","","","","","","","","","","","","","3","I m -3","-I 2 2 3","204","","Pr Fe4 P12","","- Fe4 P12 Pr -","- Fe4 P12 Pr -","- Fe8 P24 Pr2 -","2","0.0416667","","Keller, L.; Matsuda, T.D.; Fischer, P.; Herrmannsdoerfer, T.; Sugawara, H.; Aoki, Y.; Abe, K.; Doenni, A.; Sato, H.","Structural and magnetic properties of R Fe4 P12 (R = Pr, Nd) studied by neutron diffraction","Journal of Alloys Compd.","2001","323","","516","519","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "1526597","3.8571","","3.9114","","11.764","","90","","90","","90","","177.479","","","","","","","","","","","","","3","P m m m","-P 2 2","47","","Gd0.831 Pr0.081 Ca0.031 Ba2 Cu3 O6.862","","- Ca0.031 Gd0.831 Pr0.081 -","- Ca0.031 Gd0.831 Pr0.081 -","- Ca0.031 Gd0.831 Pr0.081 -","1","0.125","","Shakeripour, H.; Akhavan, M.","Investigation of structure and transport properties of Gd~1-x-z~Pr~x~Ca~z~Ba~2~Cu~3~O~7-δ~ system","Superconductor Science and Technology","2001","14","4","213","217","10.1088/0953-2048/14/4/306","","","","","","","","","","","","","","","","","","","","","has coordinates","206903","2020-10-21","18:00:00","" "1526598","7.8087","","7.8087","","7.8087","","90","","90","","90","","476.142","","","","","","","","","","","","","3","I m -3","-I 2 2 3","204","","Nd Fe4 P12","","- Fe4 Nd P12 -","- Fe4 Nd P12 -","- Fe8 Nd2 P24 -","2","0.0416667","","Keller, L.; Sato, H.; Fischer, P.; Herrmannsdoerfer, T.; Sugawara, H.; Doenni, A.; Abe, K.; Aoki, Y.; Matsuda, T.D.","Structural and magnetic properties of R Fe4 P12 (R = Pr, Nd) studied by neutron diffraction","Journal of Alloys Compd.","2001","323","","516","519","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "1526599","3.8481","","3.8824","","11.684","","90","","90","","90","","174.557","","","","","","","","","","","","","3","P m m m","-P 2 2","47","","Gd0.794 Pr0.094 Ca0.094 Ba2 Cu3 O6.863","","- Ca0.094 Gd0.794 Pr0.094 -","- Ca0.094 Gd0.794 Pr0.094 -","- Ca0.094 Gd0.794 Pr0.094 -","1","0.125","","Shakeripour, H.; Akhavan, M.","Investigation of structure and transport properties of Gd~1-x-z~Pr~x~Ca~z~Ba~2~Cu~3~O~7-δ~ system","Superconductor Science and Technology","2001","14","4","213","217","10.1088/0953-2048/14/4/306","","","","","","","","","","","","","","","","","","","","","has coordinates","206903","2020-10-21","18:00:00","" "1526600","3.8507","","3.8846","","11.724","","90","","90","","90","","175.373","","","","","","","","","","","","","3","P m m m","-P 2 2","47","","Gd0.689 Pr0.089 Ca0.189 Ba2 Cu3 O6.878","","- Ca0.189 Gd0.689 Pr0.089 -","- Ca0.189 Gd0.689 Pr0.089 -","- Ca0.189 Gd0.689 Pr0.089 -","1","0.125","","Shakeripour, H.; Akhavan, M.","Investigation of structure and transport properties of Gd~1-x-z~Pr~x~Ca~z~Ba~2~Cu~3~O~7-δ~ system","Superconductor Science and Technology","2001","14","4","213","217","10.1088/0953-2048/14/4/306","","","","","","","","","","","","","","","","","","","","","has coordinates","206903","2020-10-21","18:00:00","" "1526601","3.8386","","3.8877","","11.64","","90","","90","","90","","173.708","","","","","","","","","","","","","3","P m m m","-P 2 2","47","","Gd0.731 Pr0.131 Ca0.081 Ba2 Cu3 O6.862","","- Ca0.081 Gd0.731 Pr0.131 -","- Ca0.081 Gd0.731 Pr0.131 -","- Ca0.081 Gd0.731 Pr0.131 -","1","0.125","","Shakeripour, H.; Akhavan, M.","Investigation of structure and transport properties of Gd~1-x-z~Pr~x~Ca~z~Ba~2~Cu~3~O~7-δ~ system","Superconductor Science and Technology","2001","14","4","213","217","10.1088/0953-2048/14/4/306","","","","","","","","","","","","","","","","","","","","","has coordinates","206903","2020-10-21","18:00:00","" "1526602","3.8504","","3.8902","","11.729","","90","","90","","90","","175.687","","","","","","","","","","","","","3","P m m m","-P 2 2","47","","Gd0.546 Pr0.146 Ca0.296 Ba2 Cu3 O6.892","","- Ca0.296 Gd0.546 Pr0.146 -","- Ca0.296 Gd0.546 Pr0.146 -","- Ca0.296 Gd0.546 Pr0.146 -","1","0.125","","Shakeripour, H.; Akhavan, M.","Investigation of structure and transport properties of Gd~1-x-z~Pr~x~Ca~z~Ba~2~Cu~3~O~7-δ~ system","Superconductor Science and Technology","2001","14","4","213","217","10.1088/0953-2048/14/4/306","","","","","","","","","","","","","","","","","","","","","has coordinates","206903","2020-10-21","18:00:00","" "1526603","3.8725","","3.8942","","11.739","","90","","90","","90","","177.028","","","","","","","","","","","","","3","P m m m","-P 2 2","47","","Gd0.499 Pr0.298 Ca0.198 Ba2 Cu3 O6.872","","- Ca0.198 Gd0.499 Pr0.298 -","- Ca0.198 Gd0.499 Pr0.298 -","- Ca0.198 Gd0.499 Pr0.298 -","1","0.125","","Shakeripour, H.; Akhavan, M.","Investigation of structure and transport properties of Gd~1-x-z~Pr~x~Ca~z~Ba~2~Cu~3~O~7-δ~ system","Superconductor Science and Technology","2001","14","4","213","217","10.1088/0953-2048/14/4/306","","","","","","","","","","","","","","","","","","","","","has coordinates","206903","2020-10-21","18:00:00","" "1526604","11.045","","11.045","","11.045","","90","","90","","90","","1347.4","","","","","","","","","","","","","4","P m -3 n","-P 4n 2 3","223","","Sn10 In14 P22 I8","","- I8 In14 P22 Sn10 -","- I8 In13.992 P22 Sn10.008 -","- I8 In13.992 P22 Sn10.008 -","1","0.0208333","","Shatruk, M.M.; Kovnir, K.A.; Lindsjo, M.; Presnyakov, I.A.; Kloo, L.A.; Shevel'kov, A.V.","Novel compounds Sn10 In14 P22 I8 and Sn14 In10 P21.2 I8 with clathrate I structure: synthesis and crystal and electronic structure","Journal of Solid State Chemistry","2001","161","","233","242","","","","","","","","","","","","","","","","","","","","","","has coordinates","147811","2020-10-21","18:00:00","" "1526605","24.745","","24.745","","11.067","","90","","90","","90","","6776.49","","","","","","","","","","","","","4","P 42/m","-P 4c","84","","Sn14 In10 P21.2 I8","","- I8 In10 P21.2 Sn14 -","- I8 In10.0008 P21.2 Sn13.9992 -","- I40 In50.004 P106 Sn69.996 -","5","0.625","","Shatruk, M.M.; Kovnir, K.A.; Shevel'kov, A.V.; Presnyakov, I.A.; Kloo, L.A.; Lindsjo, M.","Novel compounds Sn10 In14 P22 I8 and Sn14 In10 P21.2 I8 with clathrate I structure: synthesis and crystal and electronic structure","Journal of Solid State Chemistry","2001","161","","233","242","","","","","","","","","","","","","","","","","","","","","","has coordinates","147813","2020-10-21","18:00:00","" "1526609","8.5","","8.5","","21.76","","90","","90","","120","","1361.53","","","","","","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","Na Ti2 (P0.9 As0.1 O4)3","","- As0.3 Na O12 P2.7 Ti2 -","- As0.3 Na O12 P2.7 Ti2 -","- As1.8 Na6 O72 P16.2 Ti12 -","6","0.166667","","Shimanouchi-Futagami, R.; Nishimori, M.; Nishizawa, H.","Crystal structure and electric conductivity of the NASICON - related solid solution Na Ti2 P3-x Asx O12 synthesized hydrothermally","Journal of Materials Science. Letters","2001","20","","1881","1883","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "1526612","8.273","","8.085","","11.791","","90","","107.22","","90","","753.315","","","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Rb (U O2 (Se O4) (O H) (H2 O))","","- H3 O8 Rb Se U -","- O8 Rb Se U -","- O32 Rb4 Se4 U4 -","4","1","","Shishkina, O.V.; Mikhailov, Yu.N.; Gorbunova, Yu.E.; Serezhkina, L.B.; Serezhkin, V.N.","Crystal structure of Rb (U O2 Se O4 (O H) * (H2 O))","Doklady Akad. Nauk","2001","376","","356","360","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "1526619","13.852","","13.852","","35.19","","90","","90","","120","","5847.56","","","","","","","","","","","","","3","R -3 :H","-R 3","148","","K2 In12 Se19","","- In12 K2 Se19 -","- In12 K2 Se19 -","- In72 K12 Se114 -","6","0.333333","","Kienle, L.; Simon, A.","Microdomains and diffuse scattering in K2 In12 Se19","Journal of Solid State Chemistry","2001","161","","385","395","","","","","","","","","","","","","","","","","","","","","","has coordinates","147843","2020-10-21","18:00:00","" "1526622","4.478","","4.478","","7.17","","90","","90","","120","","124.514","","","","","","","","","","","","","4","P -3 m 1","-P 3 2""","164","","Li Mn0.98 Cu0.19 Te2","","- Cu0.19 Li Mn0.98 Te2 -","- Cu0.19 Li Mn0.98 Te2 -","- Cu0.19 Li Mn0.98 Te2 -","1","0.0833333","","Kim, J.; Hughbanks, T.","Direct and indirect preparation of layered quaternary manganese tellurides; A Mnx My Te2 (A= Li, Na; M= Cu, Ag; x+y<= 2)","Journal of Alloys Compd.","2001","327","","116","120","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "1526623","4.4901","","4.4901","","7.5364","","90","","90","","120","","131.585","","","","","","","","","","","","","4","P -3 m 1","-P 3 2""","164","","Na0.91 Mn1.01 Cu0.98 Te2","","- Cu0.98 Mn1.01 Na0.91 Te2 -","- Cu0.98 Mn1.01 Na0.91 Te2 -","- Cu0.98 Mn1.01 Na0.91 Te2 -","1","0.0833333","","Kim, J.; Hughbanks, T.","Direct and indirect preparation of layered quaternary manganese tellurides; A Mnx My Te2 (A = Li, Na; M = Cu, Ag; x+y<=2)","Journal of Alloys Compd.","2001","327","","116","120","","","","","","","","","","","","","","","","","","","","","","has coordinates","147851","2020-10-21","18:00:00","" "1526624","5.522","","5.524","","25.026","","90","","90","","90","","763.381","","","","","","","","","","","","","4","A 21 a m","A -2 2a","36","","(Sr0.9 Bi0.09) Bi1.92 Ta2 O9","","- Bi2.01 O9 Sr0.9 Ta2 -","- Bi2.01 O9 Sr0.9 Ta2 -","- Bi8.04 O36 Sr3.6 Ta8 -","4","0.5","","Kim, J.S.; Cheon, C.-I.; Shim, H.-S.; Lee, C.H.","Crystal structure and phase transitions of Sr1+x Bi2+y Ta2 O9 ceramics","Journal of the European Ceramic Society","2001","21","","1295","1298","","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00","" "1526626","5.533","","25.125","","5.534","","90","","90","","90","","769.318","","","","","","","","","","","","","4","A b a 2","A 2 -2ab","41","","Sr Bi2 (Ta2 O9)","","- Bi2 O9 Sr Ta2 -","- Bi2 O9 Sr Ta2 -","- Bi8 O36 Sr4 Ta8 -","4","","","Kim, J.S.; Cheon, C.-I.; Shim, H.-S.; Lee, C.H.","Crystal structure and phase transitions of Sr1+x Bi2+y Ta2 O9 ceramics","Journal of the European Ceramic Society","2001","21","","1295","1298","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "1526628","4.27841","","4.27841","","4.27841","","90","","90","","90","","78.315","","","","","","","","","","","","","4","P m -3 m","-P 4 2 3","221","","(Ba0.6 K0.4) (Bi O3)","","- Ba0.6 Bi K0.4 O3 -","- Ba0.6 Bi K0.4 O3 -","- Ba0.6 Bi K0.4 O3 -","1","0.0208333","","Kim, H.-T.; Kang, K.-Y.; Choi, Y.-N.; Kim, W.-J.; Kim, B.J.; Kim, Y.C.","Synthesis of Ba0.6 K0.4 Bi O3 superconductors and structural analysis using neutron powder diffraction","Journal of the Korean Physical Society","2001","39","","1013","1018","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "1526633","5.3172","","5.4465","","7.7927","","90","","90","","90","","225.678","","","","","","","","","","","","","3","P b n m","-P 2c 2ab","62","","Tl (Fe O3)","","- Fe O3 Tl -","- Fe O3 Tl -","- Fe4 O12 Tl4 -","4","0.5","","Kim, S.-J.; Choy, J.-H.; Presnyakov, I.A.; Demazeau, G.","Structural distortion and chemical bonding in Tl Fe O3: comparison with A Fe O3 (A = rare earth)","Journal of Solid State Chemistry","2001","161","","197","204","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "1526635","6.2999","","7.4078","","15.7525","","100.881","","98.796","","93.69","","710.137","","","","","","","","","","","","","5","P -1","-P 1","2","","Cd (V O2)4 (Se O3)3 (H2 O)","","- Cd H2 O18 Se3 V4 -","- Cd O18 Se3 V4 -","- Cd2 O36 Se6 V8 -","2","1","","Kim, Y.-T.; Kim, Y.H.; Park, K.; Kwon, Y.-U.; Young, V.G.jr.","Cd (V O2)4 (Se O3)3 * (H2 O): a new bimetallic vanadium selenite compound with heptacoordinated cadmium ion","Journal of Solid State Chemistry","2001","161","","23","30","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "1526639","5.5729","","5.5729","","7.9077","","90","","90","","90","","245.591","","","","","","","","","","","","","4","I 4/m m m","-I 4 2","139","","Sr2 Fe Mo O6","","- Fe Mo O6 Sr2 -","- Fe Mo O6 Sr2 -","- Fe2 Mo2 O12 Sr4 -","2","0.0625","","Kim, S.B.; Kim, C.S.","Crystal structure and magnetic properties of double perovskite Sr2 Fe Mo O6","Sae Mulli","2001","43","","341","349","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "1526640","14.0716","","14.1978","","10.02912","","90","","90","","90","","2003.68","","","","","","","","","","","","","5","I m m m","-I 2 2","71","","K11.5 (Al11.5 Si20.5 O64) (H2 O)15.52","","- Al11.5 H31.04 K11.5 O79.52 Si20.5 -","- Al11.5008 K11.5 O79.52 Si20.4992 -","- Al11.5008 K11.5 O79.52 Si20.4992 -","1","0.0625","","Skofteland, B.M.; Lillerud, K.P.; Ellestad, O.H.","Potassium merlinoite: crystallization, structural and thermal properties","Microporous and Mesoporous Materials","2001","43","","61","71","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "1526642","9.79696","","13.416","","13.4118","","90","","90","","90","","1762.79","","","","","","","","","","","","","4","P n n m","-P 2 2n","58","","K11.5 (Al11.5 Si20.5 O64)","","- Al11.5 K11.5 O64 Si20.5 -","- Al11.5008 K11.5 O64 Si20.4992 -","- Al11.5008 K11.5 O64 Si20.4992 -","1","0.125","","Skofteland, B.M.; Ellestad, O.H.; Lillerud, K.P.","Potassium merlinoite: crystallization, structural and thermal properties","Microporous and Mesoporous Materials","2001","43","","61","71","","","","","","","","","","","","","","","","","","","","","","has coordinates","147874","2020-10-21","18:00:00","" "1526646","13.244","","13.244","","7.463","","90","","90","","90","","1309.04","","","","","","","","","","","","","4","P 4/m b m","-P 4 2ab","127","","La24 Li20 Ti5 O56","","- La24 Li20 O56 Ti5 -","- La24 Li20 O56 Ti5 -","- La24 Li20 O56 Ti5 -","1","0.0625","","Kirk, C.A.; West, A.R.","Crystal structure of La24 Li20 Ti5 O56: a pseudo-close-packed, columnar intergrowth structure","Journal of Solid State Chemistry","2001","162","","379","388","","","","","","","","","","","","","","","","","","","","","","has coordinates","147879","2020-10-21","18:00:00","" "1526650","4.758","","4.758","","4.758","","90","","90","","90","","107.714","","","","","","","","","","","","","1","I m -3 m","-I 4 2 3","229","","","","- Ba -","- Ba -","- Ba2 -","2","0.0208333","","Kitano, A.; Shintani, A.; Moriguchi, K.; Sakata, M.; Yonemura, M.; Munetoh, S.; Takata, M.; Nishibori, E.; Yamanaka, S.; Fukuoka, H.","Structural properties and thermodynamic stability of Ba-doped silicon type-I clathrates synthesized under high pressure","Physical Review, Serie 3. B - Condensed Matter (18,1978-)","2001","64","","0452061","0452069","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00","" "1526652","4.951","","11.787","","4.019","","90","","90","","90","","234.539","","","","","","","","","","","","","2","C m c m","-C 2c 2","63","","","","- Ba Si -","- Ba Si -","- Ba4 Si4 -","4","0.25","","Kitano, A.; Yamanaka, S.; Moriguchi, K.; Munetoh, S.; Yonemura, M.; Fukuoka, H.; Shintani, A.; Takata, M.; Nishibori, E.; Sakata, M.","Structural properties and thermodynamic stability of Ba-doped silicon type-I clathrates synthesized under high pressure","Physical Review, Serie 3. B - Condensed Matter (18,1978-)","2001","64","","0452061","0452069","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00","" "1526653","8.71","","6.585","","11.24","","90","","90","","90","","644.674","","","","","","","","","","","","","2","P n m a","-P 2ac 2n","62","","","","- Ba Si2 -","- Ba Si2 -","- Ba8 Si16 -","8","1","","Kitano, A.; Moriguchi, K.; Yonemura, M.; Sakata, M.; Munetoh, S.; Fukuoka, H.; Shintani, A.; Nishibori, E.; Yamanaka, S.; Takata, M.","Structural properties and thermodynamic stability of Ba-doped silicon type-I clathrates synthesized under high pressure","Physical Review, Serie 3. B - Condensed Matter (18,1978-)","2001","64","","0452061","0452069","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00","" "1526655","5.381","","5.381","","5.381","","90","","90","","90","","155.808","","","","","","","","","","","","","1","F d -3 m :1","F 4d 2 3 -1d","227","","","","- Si -","- Si -","- Si8 -","8","0.0416667","","Kitano, A.; Shintani, A.; Yonemura, M.; Moriguchi, K.; Yamanaka, S.; Fukuoka, H.; Munetoh, S.; Takata, M.; Nishibori, E.; Sakata, M.","Structural properties and thermodynamic stability of Ba-doped silicon type-I clathrates synthesized under high pressure","Physical Review, Serie 3. B - Condensed Matter (18,1978-)","2001","64","","0452061","0452069","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00","" "1526657","10.106","","10.106","","10.106","","90","","90","","90","","1032.14","","","","","","","","","","","","","2","P m -3 n","-P 4n 2 3","223","","","","- Ba2 Si46 -","- Ba2 Si46 -","- Ba2 Si46 -","1","0.0208333","","Kitano, A.; Moriguchi, K.; Yonemura, M.; Munetoh, S.; Shintani, A.; Nishibori, E.; Fukuoka, H.; Sakata, M.; Yamanaka, S.; Takata, M.","Structural properties and thermodynamic stability of Ba-doped silicon type-I clathrates synthesized under high pressure","Physical Review, Serie 3. B - Condensed Matter (18,1978-)","2001","64","","0452061","0452069","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00","" "1526659","10.118","","10.118","","10.118","","90","","90","","90","","1035.82","","","","","","","","","","","","","2","P m -3 n","-P 4n 2 3","223","","","","- Ba6 Si46 -","- Ba6 Si46 -","- Ba6 Si46 -","1","0.0208333","","Kitano, A.; Moriguchi, K.; Nishibori, E.; Yonemura, M.; Munetoh, S.; Fukuoka, H.; Yamanaka, S.; Shintani, A.; Takata, M.; Sakata, M.","Structural properties and thermodynamic stability of Ba-doped silicon type-I clathrates synthesized under high pressure","Physical Review, Serie 3. B - Condensed Matter (18,1978-)","2001","64","","0452061","0452069","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00","" "1526661","10.3279","","10.3279","","10.3279","","90","","90","","90","","1101.63","","","","","","","","","","","","","2","P m -3 n","-P 4n 2 3","223","","","","- Ba7.76 Si45.5 -","- Ba7.76 Si45.5 -","- Ba7.76 Si45.5 -","1","0.0208333","","Kitano, A.; Moriguchi, K.; Yamanaka, S.; Yonemura, M.; Fukuoka, H.; Munetoh, S.; Shintani, A.; Sakata, M.; Takata, M.; Nishibori, E.","Structural properties and thermodynamic stability of Ba-doped silicon type-I clathrates synthesized under high pressure","Physical Review, Serie 3. B - Condensed Matter (18,1978-)","2001","64","","0452061","0452069","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00","" "1526664","27.418","","15.647","","23.96","","90","","102.85","","90","","10021.6","","","","","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","(Ga O4 Al12 (O H)24 (H2 O)12) (Al (O H)6 Mo6 O18)2 (O H) (H2 O)30.165","","- Al14 Ga H121.33 Mo12 O119.165 -","- Al14 Ga Mo12 O118.165 -","- Al56 Ga4 Mo48 O472.659 -","4","0.5","","Son, J.-H.; Kwon, Y.-U.","Single crystal structure of pure inorganic nanocomposite (Ga O4 Al12 (O H)24 (H2 O)12) (Al (O H)6 Mo6 O18)2 (O H) * 30(H2 O)","Bulletin of the Korean Chemical Society","2001","22","","1224","1230","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "1526665","10.346","","10.346","","5.152","","90","","90","","90","","551.469","","","","","","","","","","","","","3","I 4/m c m","-I 4 2c","140","","Ti5 Si1.32 Sb1.68","","- Sb1.68 Si1.32 Ti5 -","- Sb1.68 Si1.32 Ti5 -","- Sb6.72 Si5.28 Ti20 -","4","0.125","","Kleinke, H.","Ti5 Si1.3 Sb1.7 - the first titanium silicide antimonide, forming a crystal structure not found in either binary system","Canadian Journal of Chemistry","2001","79","","1338","1343","","","","","","","","","","","","","","","","","","","","","","has coordinates","147899","2020-10-21","18:00:00","" "1526667","8.3928","","8.3928","","8.3928","","90","","90","","90","","591.181","","","","","","","","","","","","","4","F m -3 m","-F 4 2 3","225","","Ba2 (Ca0.785 Nb0.215) Nb O5.88","","- Ba2 Ca0.785 Nb1.215 O5.88 -","- Ba2 Ca0.785 Nb1.215 O5.88 -","- Ba8 Ca3.14 Nb4.86 O23.52 -","4","0.0208333","","Sosnowska, I.; Przenioslo, R.; Schaefer, W.; Wysocki, K.; Kockelmann, W.; Hempelmann, R.","Possible deuterium positions in the high-temperature deuterated proton conductor Ba3 Ca1+y Nb2-y O9-d studied by neutron and X-ray powder diffraction","Journal of Alloys Compd.","2001","328","","226","230","","","","","","","","","","","","","","","","","","","","","","has coordinates","147902","2020-10-21","18:00:00","" "1526669","8.4108","","8.4108","","8.4108","","90","","90","","90","","594.993","","","","","","","","","","","","","5","F m -3 m","-F 4 2 3","225","","Ba2 (Ca0.785 Nb0.215) Nb O5.97 (D2 O)0.12","","- Ba2 Ca0.785 D0.24 Nb1.215 O6.09 -","- Ba2 Ca0.785 Nb1.215 O6.09 -","- Ba8 Ca3.14 Nb4.86 O24.36 -","4","0.0208333","","Sosnowska, I.; Hempelmann, R.; Przenioslo, R.; Schaefer, W.; Kockelmann, W.; Wysocki, K.","Possible deuterium positions in the high-temperature deuterated proton conductor Ba3 Ca1+y Nb2-y O9-d studied by neutron and X-ray powder diffraction","Journal of Alloys Compd.","2001","328","","226","230","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "1526671","9.572","","9.572","","9.572","","90","","90","","90","","877.017","","","","","","","","","","","","","3","I -4 3 d","I -4bd 2c 3","220","","Th3 Co3 Sb4","","- Co3 Sb4 Th3 -","- Co3 Sb4 Th3 -","- Co12 Sb16 Th12 -","4","0.0833333","","Sportouch, S.; Kanatzidis, M.G.","Th3 Co3 Sb4 : a new room temperature magnet","Journal of Solid State Chemistry","2001","162","","158","167","","","","","","","","","","","","","","","","","","","","","","has coordinates","147906","2020-10-21","18:00:00","" "1526673","5.9472","","3.5516","","6.7452","","90","","90","","90","","142.473","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","(Co0.525 Fe0.475) Mn P","","- Co0.525 Fe0.475 Mn P -","- Co0.525 Fe0.475 Mn P -","- Co2.1 Fe1.9 Mn4 P4 -","4","0.5","","Sredniawa, B.; Zach, R.; Tobola, J.; Fornal, P.; Fruchart, D.; Bombik, A.; Kaprzyk, S.; Niziol, S.; Duraj, R.; Bacmann, M.; Stanek, J.; Fruchart, R.","Crystal structure, magnetic and electronic properties of Cox Fe1-x Mn P system","Journal of Alloys Compd.","2001","317","","266","273","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "1526675","5.9429","","3.5317","","6.7318","","90","","90","","90","","141.291","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","(Co0.65 Fe0.35) Mn P","","- Co0.65 Fe0.35 Mn P -","- Co0.65 Fe0.35 Mn P -","- Co2.6 Fe1.4 Mn4 P4 -","4","0.5","","Sredniawa, B.; Duraj, R.; Fornal, P.; Zach, R.; Bombik, A.; Fruchart, D.; Tobola, J.; Bacmann, M.; Kaprzyk, S.; Niziol, S.; Stanek, J.; Fruchart, R.","Crystal structure, magnetic and electronic properties of Cox Fe1-x Mn P system","Journal of Alloys Compd.","2001","317","","266","273","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "1526677","5.9421","","3.523","","6.7326","","90","","90","","90","","140.94","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","(Co0.7 Fe0.3) Mn P","","- Co0.7 Fe0.3 Mn P -","- Co0.7 Fe0.3 Mn P -","- Co2.8 Fe1.2 Mn4 P4 -","4","0.5","","Sredniawa, B.; Zach, R.; Fornal, P.; Duraj, R.; Bombik, A.; Fruchart, D.; Tobola, J.; Fruchart, R.; Niziol, S.; Bacmann, M.; Kaprzyk, S.; Stanek, J.","Crystal structure, magnetic and electronic properties of Cox Fe1-x Mn P system","Journal of Alloys Compd.","2001","317","","266","273","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "1526679","16.253","","5.0529","","8.2469","","90","","90","","90","","677.275","","","","","","","","","","","","","5","P c a 21","P 2c -2ac","29","","Li (N H2 S O3)","","- H2 Li N O3 S -","- H2 Li N O3 S -","- H16 Li8 N8 O24 S8 -","8","2","","Stade, J.; Bohaty, L.; Held, P.","Crystal growth, crystal structure and physical properties of lithium sulfamate Li (N H2 S O3)","Crystal Research and Technology","2001","36","","347","360","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "1526687","3.9238","","3.9238","","8.6445","","90","","90","","90","","133.093","","","","","","","","","","","","","3","P -4 m 2","P -4 -2","115","","Ti2 Cu Sb3","","- Cu Sb3 Ti2 -","- Cu Sb3 Ti2 -","- Cu Sb3 Ti2 -","1","0.125","","Koblyuk, N.D.; Bodak, O.I.; Melnyk, G.A.; Fruchart, D.; Romaka, L.P.","Crystal structure of Zr2 Cu Sb3 and related compounds","Journal of Alloys Compd.","2001","317","","284","286","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "1526689","3.9404","","3.9404","","8.6971","","90","","90","","90","","135.038","","","","","","","","","","","","","3","P -4 m 2","P -4 -2","115","","Zr2 Cu Sb3","","- Cu Sb3 Zr2 -","- Cu Sb3 Zr2 -","- Cu Sb3 Zr2 -","1","0.125","","Koblyuk, N.D.; Melnyk, G.A.; Romaka, L.P.; Fruchart, D.; Bodak, O.I.","Crystal structure of Zr2 Cu Sb3 and related compounds","Journal of Alloys Compd.","2001","317","","284","286","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "1526691","3.9216","","3.9216","","8.5947","","90","","90","","90","","132.177","","","","","","","","","","","","","3","P -4 m 2","P -4 -2","115","","Hf2 Cu Sb3","","- Cu Hf2 Sb3 -","- Cu Hf2 Sb3 -","- Cu Hf2 Sb3 -","1","0.125","","Koblyuk, N.D.; Melnyk, G.A.; Romaka, L.P.; Bodak, O.I.; Fruchart, D.","Crystal structure of Zr2 Cu Sb3 and related compounds","Journal of Alloys Compd.","2001","317","","284","286","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "1526692","9.378","","9.378","","3.838","","90","","90","","120","","292.318","","","","","","","","","","","","","3","P -6","P -6","174","","U2 Ni12 As7","","- As7 Ni12 U2 -","- As7 Ni12 U2 -","- As7 Ni12 U2 -","1","0.166667","","Stepien-Damm, Yu.; Kaczorowski, D.; Wochowski, K.","Crystal structure of U2 Ni12 As7","Journal of Alloys Compd.","2001","315","","4","6","","","","","","","","","","","","","","","","","","","","","","has coordinates","147927","2020-10-21","18:00:00","" "1526698","5.50644","","5.50644","","4.10054","","90","","90","","120","","107.675","","","","","","","","","","","","","3","P -3 m 1","-P 3 2""","164","","Eu2 Mg D6","","- D6 Eu2 Mg -","- D6 Eu2 Mg -","- D6 Eu2 Mg -","1","0.0833333","","Kohlmann, H.; Bertheville, B.; Yvon, K.; Hansen, T.","High-pressure synthesis of novel europium magnesium hydrides","Journal of Alloys Compd.","2001","322","","59","68","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "1526700","14.0939","","5.6455","","11.509","","90","","90.683","","90","","915.673","","","","","","","","","","","","","3","I 1 2/m 1","-I 2y","12","","Eu6 Mg7 D26","","- D26 Eu6 Mg7 -","- D26 Eu6 Mg7 -","- D52 Eu12 Mg14 -","2","0.25","","Kohlmann, H.; Bertheville, B.; Hansen, T.; Yvon, K.","High-pressure synthesis of novel europium magnesium hydrides","Journal of Alloys Compd.","2001","322","","59","68","","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00","" "1526701","17.4841","","5.7231","","7.3647","","90","","111.478","","90","","685.762","","","","","","","","","","","","","3","C 1 2/m 1","-C 2y","12","","Eu2 Mg3 D10","","- D10 Eu2 Mg3 -","- D10 Eu2 Mg3 -","- D40 Eu8 Mg12 -","4","0.5","","Kohlmann, H.; Bertheville, B.; Hansen, T.; Yvon, K.","High-pressure synthesis of novel europium magnesium hydrides","Journal of Alloys Compd.","2001","322","","59","68","","","","","","","","","","","","","","","","","","","","","","has coordinates","147942","2020-10-21","18:00:00","" "1526702","7.2918","","7.2918","","7.2918","","90","","90","","90","","387.708","","","","","","","","","","","","","3","F d -3 m :2","-F 4vw 2vw 3","227","","Zr Cr2 D0.66","","- Cr2 D0.66 Zr -","- Cr2 D0.66 Zr -","- Cr16 D5.28 Zr8 -","8","0.0416667","","Kohlmann, H.; Yvon, K.; Fauth, F.; Skripov, A.V.; Fischer, P.; Kozhanov, V.N.","Low-temperature deuterium ordering in the cubic Laves phase derivative alpha-(Zr Cr2 D0.66)","Journal of Alloys Compd.","2001","327","","4","9","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "1526703","6.6065","","5.2711","","8.8898","","90","","99.5898","","90","","305.248","","","","","","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","Na ((W O3)2 (P O2))","","- Na O8 P W2 -","- Na O8 P W2 -","- Na2 O16 P2 W4 -","2","0.5","","Stus', N.V.; Lisnyak, V.V.; Slobodyanik, N.S.","Crystal structure of a new monophosphate tungsten(V) bronze with hexagonal tunnels Na4 (W O3)8 (P O2)4","Journal of Alloys Compd.","2001","325","","73","77","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "1526704","8.9411","","5.1372","","8.905","","90","","109.563","","90","","385.415","","","","","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","Zr Cr2 D0.61","","- Cr2 D0.61 Zr -","- Cr2 D0.61 Zr -","- Cr16 D4.88 Zr8 -","8","2","","Kohlmann, H.; Skripov, A.V.; Fauth, F.; Fischer, P.; Yvon, K.; Kozhanov, V.N.","Low-temperature deuterium ordering in the cubic Laves phase derivative alpha-(Zr Cr2 D0.66)","Journal of Alloys Compd.","2001","327","","4","9","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "1526705","3.869","","3.869","","11.6697","","90","","90","","90","","174.686","","","","","","","","","","","","","7","P 4/m m m","-P 4 2","123","","(La0.357 Y0.214 Ca0.429) (Ba0.643 La0.357)2 Cu (Cu1.886 Fe0.114) O7.032","","- Ba1.286 Ca0.429 Cu2.886 Fe0.114 La1.071 O7.032 Y0.214 -","- Ba1.286 Ca0.4286 Cu2.886 Fe0.114 La1.0714 O7.032 Y0.214 -","- Ba1.286 Ca0.4286 Cu2.886 Fe0.114 La1.0714 O7.032 Y0.214 -","1","0.0625","","Subbarao, M.V.; Kundaliya, D.C.; Yelon, W.B.; Kulkarni, R.G.; Malik, S.K.","Structural studies of the superconducting La2.5 Y0.5 Ca Ba3 (Cu1-x Fex)7 Oz 8 (0 <= x <= 0.1) perovskite system by neutron diffraction","Journal of Superconductivity","2001","14","","397","403","","","","","","","","","","","","","","","","","","","","","","has coordinates","147946","2020-10-21","18:00:00","" "1526706","14.897","","5.412","","7.167","","90","","110.47","","90","","541.336","","","","","","","","","","","","","5","C 1 2 1","C 2y","5","","(N H4)2 (Sn2 F4 (N O3)2)","","- F4 H8 N4 O6 Sn2 -","- F4 H4 N4 O6 Sn2 -","- F8 H8 N8 O12 Sn4 -","2","0.5","","Kokunov, Yu.V.; Detkov, D.G.; Gorbunova, Yu.E.; Ershova, M.M.; Buslaev, Yu.A.; Mikhailov, Yu.N.","Crystal structure of (N H4)2 Sn2 F4 (N O3)2 - first example of dimer complexes (Sn2 F4 E2) in tin(II) fluorides","Doklady Akad. Nauk","2001","378","","347","350","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "1526707","3.8707","","3.8707","","11.6225","","90","","90","","90","","174.132","","","","","","","","","","","","","7","P 4/m m m","-P 4 2","123","","(La0.357 Y0.214 Ca0.429) (Ba0.643 La0.357)2 Cu (Cu1.764 Fe0.236) O7.24","","- Ba1.286 Ca0.429 Cu2.764 Fe0.236 La1.071 O7.24 Y0.214 -","- Ba1.286 Ca0.4286 Cu2.764 Fe0.236 La1.0714 O7.24 Y0.214 -","- Ba1.286 Ca0.4286 Cu2.764 Fe0.236 La1.0714 O7.24 Y0.214 -","1","0.0625","","Subbarao, M.V.; Kundaliya, D.C.; Kulkarni, R.G.; Malik, S.K.; Yelon, W.B.","Structural studies of the superconducting La2.5 Y0.5 Ca Ba3 (Cu1-x Fex)7 Oz 8 (0 <= x <= 0.1) perovskite system by neutron diffraction","Journal of Superconductivity","2001","14","","397","403","","","","","","","","","","","","","","","","","","","","","","has coordinates","147948","2020-10-21","18:00:00","" "1526708","4.419","","7.191","","9.834","","98.72","","101.94","","92.65","","301.226","","","","","","","","","","","","","3","P -1","-P 1","2","","Ca (Sn F3)2","","- Ca F6 Sn2 -","- Ca F6 Sn2 -","- Ca2 F12 Sn4 -","2","1","","Kokunov, Yu.V.; Detkov, D.G.; Ershova, M.M.; Gorbunova, Yu.E.; Mikhailov, Yu.N.","Synthesis and crystal structure of calcium trifluorostannate(II)","Doklady Akad. Nauk","2001","376","","635","637","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "1526709","3.8772","","3.8772","","11.6318","","90","","90","","90","","174.857","","","","","","","","","","","","","7","P 4/m m m","-P 4 2","123","","(La0.357 Y0.214 Ca0.429) (Ba0.643 La0.357)2 Cu (Cu1.698 Fe0.302) O7.292","","- Ba1.286 Ca0.429 Cu2.698 Fe0.302 La1.071 O7.292 Y0.214 -","- Ba1.286 Ca0.4286 Cu2.698 Fe0.302 La1.0714 O7.292 Y0.214 -","- Ba1.286 Ca0.4286 Cu2.698 Fe0.302 La1.0714 O7.292 Y0.214 -","1","0.0625","","Subbarao, M.V.; Kundaliya, D.C.; Kulkarni, R.G.; Malik, S.K.; Yelon, W.B.","Structural studies of the superconducting La2.5 Y0.5 Ca Ba3 (Cu1-x Fex)7 Oz 8 (0 <= x <= 0.1) perovskite system by neutron diffraction","Journal of Superconductivity","2001","14","","397","403","","","","","","","","","","","","","","","","","","","","","","has coordinates","147950","2020-10-21","18:00:00","" "1526710","4.3056","","4.3056","","10.164","","90","","90","","90","","188.422","","","","","","","","","","","","","3","P 4/n m m :2","-P 4a 2a","129","","Pr Cu Sb2","","- Cu Pr Sb2 -","- Cu Pr Sb2 -","- Cu2 Pr2 Sb4 -","2","0.125","","Kolenda, M.; Leciejewicz, J.; Hofmann, M.; Penc, B.; Zygmunt, A.; Szytula, A.","Magnetic structures of R T Sb2 (R = Pr, Nd; T = Cu, Pd) compounds","Journal of Alloys Compd.","2001","315","","22","27","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "1526712","4.4759","","4.4759","","9.8182","","90","","90","","90","","196.695","","","","","","","","","","","","","3","P 4/n m m :2","-P 4a 2a","129","","Pr Pd Sb2","","- Pd Pr Sb2 -","- Pd Pr Sb2 -","- Pd2 Pr2 Sb4 -","2","0.125","","Kolenda, M.; Penc, B.; Hofmann, M.; Leciejewicz, J.; Zygmunt, A.; Szytula, A.","Magnetic structures of R T Sb2 (R = Pr, Nd; T = Cu, Pd) compounds","Journal of Alloys Compd.","2001","315","","22","27","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "1526714","4.2895","","4.2895","","10.0673","","90","","90","","90","","185.236","","","","","","","","","","","","","3","P 4/n m m :2","-P 4a 2a","129","","Nd Cu Sb2","","- Cu Nd Sb2 -","- Cu Nd Sb2 -","- Cu2 Nd2 Sb4 -","2","0.125","","Kolenda, M.; Hofmann, M.; Szytula, A.; Penc, B.; Leciejewicz, J.; Zygmunt, A.","Magnetic structures of R T Sb2 (R = Pr, Nd; T = Cu, Pd) compounds","Journal of Alloys Compd.","2001","315","","22","27","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "1526716","4.44","","4.44","","9.7033","","90","","90","","90","","191.287","","","","","","","","","","","","","3","P 4/n m m :2","-P 4a 2a","129","","","","- Nd Pd Sb2 -","- Nd Pd Sb2 -","- Nd2 Pd2 Sb4 -","2","0.125","","Kolenda, M.; Hofmann, M.; Zygmunt, A.; Leciejewicz, J.; Szytula, A.; Penc, B.","Magnetic structures of R T Sb2 (R = Pr, Nd; T = Cu, Pd) compounds","Journal of Alloys Compd.","2001","315","","22","27","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00","" "1526717","16.531","","23.193","","12.764","","99.74","","91.9","","94.84","","4800.42","","","","","","","","","","","","","7","P -1","-P 1","2","","K4.5 Na4 (H3 O)3.5 (Ce (Si W11 O39)2) (H2 O)23","","- Ce H56.5 K4.5 Na4 O104.5 Si2 W22 -","- Ce K4.5 Na4 O104.5 Si2 W22 -","- Ce2 K9 Na8 O209 Si4 W44 -","2","1","","Sun, R.-Q.; Zhao, S.-L.; Zhang, H.-H.; Huang, C.-C.; Zheng, X.-L.","Synthesis and crystal structure of cerium heteropolyoxotungstate K4.5 Na4 (H3 O)3.5 (Ce (Si W11 O39)2) * 23(H2 O)","Jiegon Huaxue","2001","20","","413","417","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "1526718","4.2525","","4.2525","","9.8791","","90","","90","","90","","178.651","","","","","","","","","","","","","3","P 4/n m m :2","-P 4a 2a","129","","Tb Cu Sb2","","- Cu Sb2 Tb -","- Cu Sb2 Tb -","- Cu2 Sb4 Tb2 -","2","0.125","","Kolenda, M.; Oles, A.; Szytula, A.","Magnetic structures of the Tb Cu Sb2 compound","Journal of Alloys Compd.","2001","322","","55","58","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "1526721","6.8618","","4.21","","7.4262","","90","","90","","90","","214.529","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","Tb Ir Si","","- Ir Si Tb -","- Ir Si Tb -","- Ir4 Si4 Tb4 -","4","0.5","","Szytula, A.; Hofmann, M.; Leciejewicz, J.; Zygmunt, A.; Penc, B.","Magnetic properties and magnetic structures of R Ir Si (R = Tb-Er) series of compounds","Journal of Alloys Compd.","2001","316","","58","63","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "1526722","3.8389","","3.8389","","12.5373","","90","","90","","90","","184.764","","","","","","","","","","","","","5","P 4/n m m :2","-P 4a 2a","129","","(La0.25 Ho0.75) (La0.75 Sr0.25) Cu O3.89","","- Cu Ho0.75 La O3.89 Sr0.25 -","- Cu Ho0.75 La O3.89 Sr0.25 -","- Cu2 Ho1.5 La2 O7.78 Sr0.5 -","2","0.125","","Kopnin, E.M.; Belik, A.A.; Karpinski, J.; Boettger, G.; Schwer, H.","Crystal structure of La Ho0.75 Sr0.25 Cu O3.89 : evidence of oxygen vacancies in the fluorite-slab","Journal of Alloys Compd.","2001","319","","1","4","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "1526723","6.8167","","4.1929","","7.4384","","90","","90","","90","","212.602","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- Dy Ir Si -","- Dy Ir Si -","- Dy4 Ir4 Si4 -","4","0.5","","Szytula, A.; Zygmunt, A.; Hofmann, M.; Leciejewicz, J.; Penc, B.","Magnetic properties and magnetic structures of R Ir Si (R = Tb-Er) series of compounds","Journal of Alloys Compd.","2001","316","","58","63","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00","" "1526725","6.7703","","4.1748","","7.4432","","90","","90","","90","","210.379","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- Ho Ir Si -","- Ho Ir Si -","- Ho4 Ir4 Si4 -","4","0.5","","Szytula, A.; Hofmann, M.; Zygmunt, A.; Leciejewicz, J.; Penc, B.","Magnetic properties and magnetic structures of R Ir Si (R = Tb-Er) series of compounds","Journal of Alloys Compd.","2001","316","","58","63","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00","" "1526727","6.7348","","4.1594","","7.4444","","90","","90","","90","","208.538","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- Er Ir Si -","- Er Ir Si -","- Er4 Ir4 Si4 -","4","0.5","","Szytula, A.; Hofmann, M.; Leciejewicz, J.; Penc, B.; Zygmunt, A.","Magnetic properties and magnetic structures of R Ir Si (R = Tb-Er) series of compounds","Journal of Alloys Compd.","2001","316","","58","63","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00","" "1526731","9.8814","","17.967","","5.2927","","90","","105.263","","90","","906.517","","","","","","","","","","","","","11","C 1 2/m 1","-C 2y","12","","(K0.24 Na0.73) (Ca1.82 Na0.18) (Mg4.15 Ti0.06 Al0.71 Fe0.08) (Si6.45 Al1.55) O22 (O0.12 (O H)1.25 F0.63)","","- Al2.26 Ca1.82 F0.63 Fe0.08 H1.25 K0.24 Mg4.15 Na0.91 O23.37 Si6.45 Ti0.06 -","- Al2.26 Ca1.82 F0.63 Fe0.08 H1.25 K0.24 Mg4.15 Na0.91 O23.37 Si6.45 Ti0.06 -","- Al4.52 Ca3.64 F1.26 Fe0.16 H2.5 K0.48 Mg8.3 Na1.82 O46.74 Si12.9 Ti0.12 -","2","0.25","","Tait, K.T.; Hawthorne, F.C.; della Ventura, G.","Al-Mg disorder in a gem-quality pargasite from Baffin Island, Nunavut, Canada","Canadian Mineralogist","2001","39","","1725","1732","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "1526767","4.6057","","4.6057","","9.0923","","90","","90","","90","","192.87","","","","","","","","","","","","","3","P 42/m n m","-P 4n 2n","136","","Fe2 (Te O6)","","- Fe2 O6 Te -","- Fe2 O6 Te -","- Fe4 O12 Te2 -","2","0.125","","Krishnan, K.; Singh Mudher, K.D.; Venugopal, V.; Rama Rao, G.A.","Structural and thermochemical studies on Cr2 Te O6 and Fe2 Te O6","Journal of Alloys Compd.","2001","316","","264","268","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "1526769","13.99","","10.808","","25.671","","90","","90","","90","","3881.56","","","","","","","","","","","","","5","P b c m","-P 2c 2b","57","","Cs2 ((U O2)6 (Mo O4)7 (H2 O)2)","","- Cs2 H4 Mo7 O42 U6 -","- Cs2 Mo7 O42 U6 -","- Cs8 Mo28 O168 U24 -","4","0.5","","Krivovichev, S.V.; Burns, P.C.","Crystal chemistry of uranyl molybdates. IV. The structures of M2 ((U O2)6 (Mo O4)7 (H2 O)2) (M = Cs, N H4)","Canadian Mineralogist","2001","39","","207","214","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "1526770","5.8447","","7.0715","","15.309","","90","","90","","90","","632.733","","","","","","","","","","","","","4","P m c 21","P 2c -2","26","","Pb3 O2 (O H) Br","","- Br H O3 Pb3 -","- Br O3 Pb3 -","- Br4 O12 Pb12 -","4","1","","Krivovichev, S.V.; Burns, P.C.","Crystal structure of Pb3 O2 (O H) Br, a Br-analogue of damaraite","Solid State Sciences","2001","3","","455","459","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "1526771","7.541","","6.772","","10.142","","90","","98.03","","90","","512.85","","","","","","","","","","","","","6","P 1 2 1","P 2y","3","","(Rb1.12 (N H4)0.88 (S O4)) (Te (O H)6)","","- H9.52 N0.88 O10 Rb1.12 S Te -","- H9.52 N0.882 O10 Rb1.118 S Te -","- H19.04 N1.764 O20 Rb2.236 S2 Te2 -","2","1","","Ktari, L.; Mhiri, T.; Dammak, M.; Savariault, J.M.","Thermal behavior and crystal structure at 435 K of the mixed rubidium ammonium sulfate tellurate (Rb1.12 (N H4)0.88 S O4) * (Te (O H)6)","Journal of Solid State Chemistry","2001","161","","1","8","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "1526772","6.643","","6.674","","8.162","","90","","108.19","","90","","343.782","","","","","","","","","","","","","3","P 1 21/m 1","-P 2yb","11","","Eu2 (Ge S4)","","- Eu2 Ge S4 -","- Eu2 Ge S4 -","- Eu4 Ge2 S8 -","2","0.5","","Tampier, M.; Johrendt, D.","Structural evidence for ferroelectricity in Eu2 Ge S4","Journal of Solid State Chemistry","2001","158","","343","348","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "1526784","11.24","","11.71","","10.25","","90","","96.08","","90","","1341.52","","","","","","","","","","","","","2","I 1 2/m 1","-I 2y","12","","Na3.82 C60","","- C59 Na3.82 -","- C60 Na3.82 -","- C120 Na7.64 -","2","0.25","","Kubozono, Y.; Fujiki, S.; Kambe, T.; Takabayashi, Y.; Kashino, S.; Emura, S.","Structure and physical properties of Na4 C60 under ambient and highpressure","Physical Review, Serie 3. B - Condensed Matter (18,1978-)","2001","63","","0454181","0454189","","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00","" "1526792","8.509","","8.509","","8.308","","90","","90","","120","","520.936","","","","","","","","","","","","","3","P 63/m m c","-P 6c 2c","194","","Lu1.86 Fe17.26 H3","","- Fe17.26 H3 Lu1.86 -","- Fe17.26 H3 Lu1.86 -","- Fe34.52 H6 Lu3.72 -","2","0.0833333","","Tereshina, I.S.; Nikitin, S.A.; Stepen'-Damm, Yu.; Gulay, L.D.; Pankratov, N.Yu.; Verbetskii, V.N.; Salamova, A.A.; Suski, W.","Structural and magnetic properties of Lu2 Fe17 Hx (x= 0;3) single crystals","Journal of Alloys Compd.","2001","329","","31","36","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "1526793","3.4145","","3.4145","","5.816","","90","","90","","120","","58.723","","","","","","","","","","","","","3","P -3 m 1","-P 3 2""","164","","Cu0.21 Ti S2","","- Cu0.21 S2 Ti -","- Cu0.2106 S2 Ti -","- Cu0.2106 S2 Ti -","1","0.0833333","","Kusawake, T.; Wey, M.Y.; Takahashi, Y.; Ohshima, K.I.","X-ray structure analysis and electron density distributions of the layered compounds Cux Ti S2","Journal of Physics: Condensed Matter","2001","13","","9913","9921","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "1526794","8.545","","8.545","","12.455","","90","","90","","120","","787.587","","","","","","","","","","","","","3","R -3 m :H","-R 3 2""","166","","Sm2 Fe11 (Fe5.04 Si0.96)","","- Fe16.04 Si0.96 Sm2 -","- Fe16.04 Si0.96 Sm2 -","- Fe48.12 Si2.88 Sm6 -","3","0.0833333","","Teresiak, A.; Kubis, M.; Mueller, K.H.; Mattern, N.; Wolf, B.","Crystal structure of Sm2 Fe17-y My compounds with M = Al, Si, Ga","Journal of Alloys Compd.","2001","319","","168","173","","","","","","","","","","","","","","","","","","","","","","has coordinates","148042","2020-10-21","18:00:00","" "1526795","9.9216","","9.9216","","9.9216","","90","","90","","90","","976.664","","","","","","","","","","","","","3","F d -3 m :2","-F 4vw 2vw 3","227","","Cu0.326 Ti S2","","- Cu0.326 S2 Ti -","- Cu0.326 S2 Ti -","- Cu5.216 S32 Ti16 -","16","0.0833333","","Kusawake, T.; Takahashi, Y.; Wey, M.Y.; Ohshima, K.I.","X-ray structure analysis and electron density distributions of the layered compounds Cux Ti S2","Journal of Physics: Condensed Matter","2001","13","","9913","9921","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "1526796","8.518","","8.518","","12.443","","90","","90","","120","","781.864","","","","","","","","","","","","","3","R -3 m :H","-R 3 2""","166","","Sm2 Fe5 (Fe10.02 Si1.98)","","- Fe15.02 Si1.98 Sm2 -","- Fe15.02 Si1.98 Sm2 -","- Fe45.06 Si5.94 Sm6 -","3","0.0833333","","Teresiak, A.; Kubis, M.; Mattern, N.; Mueller, K.H.; Wolf, B.","Crystal structure of Sm2 Fe17-y My compounds with M = Al, Si, Ga","Journal of Alloys Compd.","2001","319","","168","173","","","","","","","","","","","","","","","","","","","","","","has coordinates","148044","2020-10-21","18:00:00","" "1526799","7.8143","","3.86769","","7.5125","","90","","90","","90","","227.052","","","","","","","","","","","","","4","P m m m","-P 2 2","47","","Tb2 Ba2 Co4 O11","","- Ba2 Co4 O11 Tb2 -","- Ba2 Co4 O11 Tb2 -","- Ba2 Co4 O11 Tb2 -","1","0.125","","Kusuya, H.; Machida, A.; Nakamura, A.; Kato, K.; Takata, M.; Moritomo, Y.; Nishibori, E.; Sakata, M.","Structural change at metal-insulator transition of Tb2 Ba2 Co4 O11","Journal of the Physical Society of Japan","2001","70","","3577","3580","","","","","","","","","","","","","","","","","","","","","","has coordinates","148047","2020-10-21","18:00:00","" "1526801","7.173","","7.114","","6.268","","90","","90","","90","","319.848","","","","","","","","","","","","","3","I m m a","-I 2b 2","74","","Dy Cr O4","","- Cr Dy O4 -","- Cr Dy O4 -","- Cr4 Dy4 O16 -","4","0.25","","Tezuka, K.; Hinatsu, Y.","Magnetic and crystallographic properties of Ln Cr O4 (Ln = Nd, Sm and Dy)","Journal of Solid State Chemistry","2001","160","","362","367","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "1526802","5.395","","6.367","","5.005","","90","","90","","90","","171.922","","","","","","","","","","","","","3","P n a 21","P 2c -2n","33","","Li (Ga O2)","","- Ga Li O2 -","- Ga Li O2 -","- Ga4 Li4 O8 -","4","1","","Kuz'micheva, G.M.; Gaister, A.V.; Rybakov, V.B.; Zharikov, E.V.","Structure and properties of Li Ga O2 crystals","Inorganic Materials (USSR) (see: Izv.Akad.Nauk, Neorg.Mater.)","2001","37","","281","285","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "1526803","3.8944","","3.8944","","15.271","","90","","90","","90","","231.605","","","","","","","","","","","","","4","P 4/m m m","-P 4 2","123","","Rb Sr2 (Nb3 O10)","","- Nb3 O10 Rb Sr2 -","- Nb3 O10 Rb Sr2 -","- Nb3 O10 Rb Sr2 -","1","0.0625","","Thangadurai, V.; Schmid-Beurmann, P.; Weppner, W.","Synthesis, structure and electrical conductivity of A' (A2 B3 O10) (A' = Rb, Cs; A = Sr, Ba; B = Nb, Ta): new members of Dion-Jacobson-type layered perovskites","Journal of Solid State Chemistry","2001","158","","279","289","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "1526804","5.3956","","6.3675","","5.0024","","90","","90","","90","","171.865","","","","","","","","","","","","","4","P n a 21","P 2c -2n","33","","Li (Ga0.9 Cr0.1) O1.97","","- Cr0.1 Ga0.9 Li O1.97 -","- Cr0.1 Ga0.9 Li O1.97 -","- Cr0.4 Ga3.6 Li4 O7.88 -","4","1","","Kuz'micheva, G.M.; Rybakov, V.B.; Gaister, A.V.; Zharikov, E.V.","Structure and properties of Li Ga O2 crystals","Inorganic Materials (USSR) (see: Izv.Akad.Nauk, Neorg.Mater.)","2001","37","","281","285","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "1526805","3.9077","","3.9077","","15.414","","90","","90","","90","","235.374","","","","","","","","","","","","","4","P 4/m m m","-P 4 2","123","","Cs Sr2 (Nb3 O10)","","- Cs Nb3 O10 Sr2 -","- Cs Nb3 O10 Sr2 -","- Cs Nb3 O10 Sr2 -","1","0.0625","","Thangadurai, V.; Schmid-Beurmann, P.; Weppner, W.","Synthesis, structure and electrical conductivity of A' (A2 B3 O10) (A' = Rb, Cs; A = Sr, Ba; B = Nb, Ta): new members of Dion-Jacobson-type layered perovskites","Journal of Solid State Chemistry","2001","158","","279","289","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "1526806","5.3995","","6.3996","","5.006","","90","","90","","90","","172.981","","","","","","","","","","","","","4","P n a 21","P 2c -2n","33","","Li (Ga0.967 V0.033) O2","","- Ga0.967 Li O2 V0.033 -","- Ga0.967 Li O2 V0.033 -","- Ga3.868 Li4 O8 V0.132 -","4","1","","Kuz'micheva, G.M.; Gaister, A.V.; Rybakov, V.B.; Zharikov, E.V.","Structure and properties of Li Ga O2 crystals","Inorganic Materials (USSR) (see: Izv.Akad.Nauk, Neorg.Mater.)","2001","37","","281","285","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "1526807","3.9766","","3.9766","","15.5792","","90","","90","","90","","246.359","","","","","","","","","","","","","4","P 4/m m m","-P 4 2","123","","Cs Ba2 (Nb3 O10)","","- Ba2 Cs Nb3 O10 -","- Ba2 Cs Nb3 O10 -","- Ba2 Cs Nb3 O10 -","1","0.0625","","Thangadurai, V.; Schmid-Beurmann, P.; Weppner, W.","Synthesis, structure and electrical conductivity of A' (A2 B3 O10) (A' = Rb, Cs; A = Sr, Ba; B = Nb, Ta): new members of Dion-Jacobson-type layered perovskites","Journal of Solid State Chemistry","2001","158","","279","289","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "1526808","5.395","","6.367","","5.0039","","90","","90","","90","","171.884","","","","","","","","","","","","","4","P n a 21","P 2c -2n","33","","Li (Ga0.82 V0.18) O1.94","","- Ga0.82 Li O1.94 V0.18 -","- Ga0.82 Li O1.94 V0.18 -","- Ga3.28 Li4 O7.76 V0.72 -","4","1","","Kuz'micheva, G.M.; Zharikov, E.V.; Rybakov, V.B.; Gaister, A.V.","Structure and properties of Li Ga O2 crystals","Inorganic Materials (USSR) (see: Izv.Akad.Nauk, Neorg.Mater.)","2001","37","","281","285","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "1526809","3.899","","3.899","","15.5359","","90","","90","","90","","236.18","","","","","","","","","","","","","4","P 4/m m m","-P 4 2","123","","Cs Sr2 (Ta3 O10)","","- Cs O10 Sr2 Ta3 -","- Cs O10 Sr2 Ta3 -","- Cs O10 Sr2 Ta3 -","1","0.0625","","Thangadurai, V.; Schmid-Beurmann, P.; Weppner, W.","Synthesis, structure and electrical conductivity of A' (A2 B3 O10) (A' = Rb, Cs; A = Sr, Ba; B = Nb, Ta): new members of Dion-Jacobson-type layered perovskites","Journal of Solid State Chemistry","2001","158","","279","289","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "1526810","3.8405","","3.8405","","11.568","","90","","90","","90","","170.622","","","","","","","","","","","","","5","P 4/m m m","-P 4 2","123","","(Ru0.96 Cu0.04) (Sr0.98 Gd0.02)2 (Gd0.84 Sr0.16) Cu2 O8.02","","- Cu2.04 Gd0.88 O8.02 Ru0.96 Sr2.12 -","- Cu2.04 Gd0.88 O8.02 Ru0.96 Sr2.12 -","- Cu2.04 Gd0.88 O8.02 Ru0.96 Sr2.12 -","1","0.0625","","Kuz'micheva, G.M.; Luparev, V.V.; Khlybov, E.P.; Andreenko, A.S.; Kostyleva, I.E.; Gavrilov, K.N.","Crystal structure of Ru (Sr, Gd)2 (Gd, Sr) Cu2 O8 and Ru (Sr, Eu)2 (Eu, Ce)2 Cu2 O10 phases","Physica C (Amsterdam)","2001","350","","105","114","","","","","","","","","","","","","","","","","","","","","","has coordinates","148059","2020-10-21","18:00:00","" "1526811","3.8424","","3.8424","","28.559","","90","","90","","90","","421.646","","","","","","","","","","","","","6","I 4/m m m","-I 4 2","139","","(Ru0.92 Ce0.08) (Sr0.85 Eu0.15)2 (Eu0.75 Ce0.25)2 Cu2 O10.024","","- Ce0.58 Cu2 Eu1.8 O10.024 Ru0.92 Sr1.7 -","- Ce0.58 Cu2 Eu1.8 O10.024 Ru0.92 Sr1.7 -","- Ce1.16 Cu4 Eu3.6 O20.048 Ru1.84 Sr3.4 -","2","0.0625","","Kuz'micheva, G.M.; Andreenko, A.S.; Khlybov, E.P.; Luparev, V.V.; Kostyleva, I.E.; Gavrilov, K.N.","Crystal structure of Ru (Sr, Gd)2 (Gd, Sr) Cu2 O8 and Ru (Sr, Eu)2 (Eu, Ce)2 Cu2 O10 phases","Physica C (Amsterdam)","2001","350","","105","114","","","","","","","","","","","","","","","","","","","","","","has coordinates","148060","2020-10-21","18:00:00","" "1526816","5.284","","5.284","","9.0595","","90","","90","","90","","252.947","","","","","","","","","","","","","4","P -4 21 m","P -4 2ab","113","","Cd Te Mo O6","","- Cd Mo O6 Te -","- Cd Mo O6 Te -","- Cd2 Mo2 O12 Te2 -","2","0.25","","Laligant, Y.","X-ray and TEM studies of Cd Te Mo O6 and Co Te Mo O6: a new superstructure of fluorite type with cation and anion deficiencies ((vac) Co Te Mo) ((vac)2 O6)","Journal of Solid State Chemistry","2001","160","","401","408","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "1526818","5.2545","","5.0653","","8.8589","","90","","90","","90","","235.785","","","","","","","","","","","","","4","P 21 21 2","P 2 2ab","18","","Co Te Mo O6","","- Co Mo O6 Te -","- Co Mo O6 Te -","- Co2 Mo2 O12 Te2 -","2","0.5","","Laligant, Y.","X-ray and TEM studies of Cd Te Mo O6 and Co Te Mo O6: a new superstructure of fluorite type with cation and anion deficiencies ((vac) Co Te Mo) ((vac)2 O6)","Journal of Solid State Chemistry","2001","160","","401","408","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "1526819","25.773","","7.832","","5.541","","90","","90","","90","","1118.47","","","","","","","","","","","","","5","P n a 21","P 2c -2n","33","","La4 (Ti3 Ga0.5 Nb0.5) O14","","- Ga0.5 La4 Nb0.5 O14 Ti3 -","- Ga0.5 La4 Nb0.5 O14 Ti3 -","- Ga2 La16 Nb2 O56 Ti12 -","4","1","","Titov, Yu.O.; Belyavina, N.M.; Markiv, V.Ya.; Sich, A.M.; Slobodyanik, N.S.; Kapshuk, A.O.","Layered perovskite-like structure of La4 Ti4-x Gax/2 Nbx/2 O14 phases","Dopov. Nats. Akad. Nauk. Ukr.","2001","2001","","147","150","","","","","","","","","","","","","","","","","","","","","","has coordinates","148068","2020-10-21","18:00:00","" "1526820","4.834","","4.548","","21.518","","90","","90","","90","","473.074","","","","","","","","","","","","","4","C c m m","-C 2c 2c","63","","(Ca0.98 Bi0.02) Co1.1 O3","","- Bi0.02 Ca0.98 Co1.1 O3 -","- Bi0.02 Ca0.98 Co1.0992 O3 -","- Bi0.08 Ca3.92 Co4.3968 O12 -","4","0.25","","Lambert, S.; Leligny, H.; Grebille, D.","Three forms of the misfit layered cobaltite (Ca2 Co O3) (Co O2)1.62. A 4D structural investigation","Journal of Solid State Chemistry","2001","160","","322","331","","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00","" "1526821","25.839","","7.85","","5.5565","","90","","90","","90","","1127.06","","","","","","","","","","","","","5","P n a 21","P 2c -2n","33","","La4 (Ti2 Ga Nb) O14","","- Ga La4 Nb O14 Ti2 -","- Ga La4 Nb O14 Ti2 -","- Ga4 La16 Nb4 O56 Ti8 -","4","1","","Titov, Yu.O.; Sich, A.M.; Slobodyanik, N.S.; Belyavina, N.M.; Markiv, V.Ya.; Kapshuk, A.O.","Layered perovskite-like structure of La4 Ti4-x Gax/2 Nbx/2 O14 phases","Dopov. Nats. Akad. Nauk. Ukr.","2001","2001","","147","150","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "1526822","4.834","","2.82","","21.518","","90","","90","","90","","293.331","","","","","","","","","","","","","2","C c m m","-C 2c 2c","63","","","","- Co O2 -","- Co O2 -","- Co4 O8 -","4","0.25","","Lambert, S.; Leligny, H.; Grebille, D.","Three forms of the misfit layered cobaltite (Ca2 Co O3) (Co O2)1.62. A 4D structural investigation","Journal of Solid State Chemistry","2001","160","","322","331","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00","" "1526823","25.891","","7.861","","5.5697","","90","","90","","90","","1133.6","","","","","","","","","","","","","5","P n a 21","P 2c -2n","33","","La4 Ti2 (Ti0.5 Sc0.5) (Ti0.5 Nb0.5) O14","","- La4 Nb0.5 O14 Sc0.5 Ti3 -","- La4 Nb0.5 O14 Sc0.5 Ti3 -","- La16 Nb2 O56 Sc2 Ti12 -","4","1","","Titov, Yu.A.; Sych, A.M.; Kapshuk, A.A.; Markiv, V.Ya.; Belyavina, N.M.","Interdependence of composition-structure properties for ferroelectrics of the type La4 Ti4-x Scx/2 Nbx/2 O14 with layered perovskite-like structure","Dopov. Nats. Akad. Nauk. Ukr.","2001","2001","","158","162","","","","","","","","","","","","","","","","","","","","","","has coordinates","148072","2020-10-21","18:00:00","" "1526824","4.836","","4.5462","","32.473","","90","","95.86","","90","","710.202","","","","","","","","","","","","","3","C 1 2/m 1","-C 2y","12","","","","- Ca2 Co0.984 O2.652 -","- Ca2 Co0.984667 O2.652 -","- Ca12 Co5.908 O15.912 -","6","0.75","","Lambert, S.; Leligny, H.; Grebille, D.","Three forms of the misfit layered cobaltite (Ca2 Co O3) (Co O2)1.62. A 4D structural investigation","Journal of Solid State Chemistry","2001","160","","322","331","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00","" "1526825","26.074","","7.905","","5.594","","90","","90","","90","","1153.01","","","","","","","","","","","","","5","P n a 21","P 2c -2n","33","","La4 (Ti Sc) (Ti Nb) O14","","- La4 Nb O14 Sc Ti2 -","- La4 Nb O14 Sc Ti2 -","- La16 Nb4 O56 Sc4 Ti8 -","4","1","","Titov, Yu.A.; Sych, A.M.; Kapshuk, A.A.; Markiv, V.Ya.; Belyavina, N.M.","Interdependence of composition-structure properties for ferroelectrics of the type La4 Ti4-x Scx/2 Nbx/2 O14 with layered perovskite-like structure","Dopov. Nats. Akad. Nauk. Ukr.","2001","2001","","158","162","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "1526826","4.836","","2.82","","32.473","","90","","95.84","","90","","440.553","","","","","","","","","","","","","2","C 1 2/m 1","-C 2y","12","","","","- Co0.885 O2 -","- Co0.885333 O2 -","- Co5.312 O12 -","6","0.75","","Lambert, S.; Leligny, H.; Grebille, D.","Three forms of the misfit layered cobaltite (Ca2 Co O3) (Co O2)1.62. A 4D structural investigation","Journal of Solid State Chemistry","2001","160","","322","331","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00","" "1526827","3.7429","","3.7429","","5.9947","","90","","90","","90","","83.982","","","","","","","","","","","","","3","P 4/n m m :1","P 4ab 2ab -1ab","129","","Mn Fe As","","- As Fe Mn -","- As Fe Mn -","- As2 Fe2 Mn2 -","2","0.125","","Tobola, J.; Bacmann, M.; Wolfers, P.; Koumina, A.A.; Fruchart, D.; Kaprzyk, S.","Structure and magnetism in the polymorphous Mn Fe As","Journal of Alloys Compd.","2001","317","","274","279","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "1526828","10.072","","3.976","","17.389","","90","","98.66","","90","","688.426","","","","","","","","","","","","","2","P 1 21/m 1","-P 2yb","11","","","","- Er2 S3 -","- Er2 S3 -","- Er12 S18 -","6","1.5","","Landa-Canovas, A.R.; Amador, U.; Otero-Diaz, L.C.","Crystal structure and microstructure of delta-(Er2 S3)","Journal of Alloys Compd.","2001","323","","91","96","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00","" "1526829","6.263","","6.263","","3.544","","90","","90","","120","","120.39","","","","","","","","","","","","","3","P -6 2 m","P -6 -2","189","","Mn Fe As","","- As Fe Mn -","- As Fe Mn -","- As3 Fe3 Mn3 -","3","0.25","","Tobola, J.; Bacmann, M.; Fruchart, D.; Kaprzyk, S.; Wolfers, P.; Koumina, A.A.","Structure and magnetism in the polymorphous Mn Fe As","Journal of Alloys Compd.","2001","317","","274","279","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "1526836","15.123","","12.305","","19.264","","90","","98.62","","90","","3544.32","","","","","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","(N (C H3)4)2 (H3 O)6 Cd (Mo12 Cd P8 O50 (O H)12) (H2 O)5","","- C8 H64 Cd2 Mo12 N2 O73 P8 -","- C8 Cd2 Mo12 N2 O73 P8 -","- C16 Cd4 Mo24 N4 O146 P16 -","2","0.5","","Leclaire, A.; Borel, M.M.; Guesdon, A.; Marsh, R.E.","Revised space groups for three molybdenum(V) phosphate compounds","Journal of Solid State Chemistry","2001","159","","7","9","","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00","" "1526837","10.057","","10.057","","19.227","","90","","90","","90","","1944.68","","","","","","","","","","","","","4","P 43 21 2","P 4nw 2abw","96","","Rb3 O2 (Mo O)4 (P O4)4","","- Mo4 O22 P4 Rb3 -","- Mo4 O22 P4 Rb3 -","- Mo16 O88 P16 Rb12 -","4","0.5","","Leclaire, A.; Marsh, R.E.; Borel, M.M.; Guesdon, A.","Revised space groups for three molybdenum(V) phosphate compounds","Journal of Solid State Chemistry","2001","159","","7","9","","","","","","","","","","","","","","","","","","","","","","has coordinates","148089","2020-10-21","18:00:00","" "1526838","6.9403","","6.14571","","11.219","","90","","90","","90","","478.525","","","","","","","","","","","","","5","P m n 21","P 2ac -2","31","","(N H4) Co (P O4) (H2 O)6","","- Co H16 N O10 P -","- Co N O10 P -","- Co2 N2 O20 P2 -","2","0.5","","Touaiher, M.; Zahir, M.; Benkhouja, K.; Bettach, M.; Aranda, M.A.G.; Bruque, S.","Synthesis and structure of N H4 Co P O4 * 6(H2 O)","Annales de Chimie (Paris)","2001","26","","49","54","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "1526839","8.8989","","7.5341","","9.142","","90","","90","","90","","612.927","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","Pb (V O) (P2 O7)","","- O8 P2 Pb V -","- O8 P2 Pb V -","- O32 P8 Pb4 V4 -","4","0.5","","Leclaire, A.; Borel, M.M.; Raveau, B.","A vanadium(IV) diphosphate with an intersecting tunnel structure, Pb V O P2 O7","Journal of Solid State Chemistry","2001","162","","354","357","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "1526843","34.637","","5.863","","10.107","","90","","103.53","","90","","1995.54","","","","","","","","","","","","","4","C 1 2/m 1","-C 2y","12","","(Nd (Xe F2)2.5) (As F6)3","","- As3 F23 Nd Xe2.5 -","- As3 F23 Nd Xe2.5 -","- As12 F92 Nd4 Xe10 -","4","0.5","","Tramsek, M.; Lork, E.; Mews, R.; Zemva, B.","Synthesis and Raman spectra of (Nd (Xe F2)n) (As F6)3 (n = 3, 2.5) and crystal structure of (Nd (Xe F2)2.5) (As F6)3","Journal of Solid State Chemistry","2001","162","","243","249","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "1526860","4.9019","","4.9019","","5.3988","","90","","90","","120","","112.346","","","","","","","","","","","","","2","P 31 2 1","P 31 2""","152","","Si O2","","- O2 Si -","- O2 Si -","- O6 Si3 -","3","0.5","","Tucker, M.G.; Dove, M.T.; Keen, D.A.","A detailed structural characterization of quartz on heating through the alpha - beta transition","Mineralogical Magazine (1969-)","2001","65","","489","507","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "1526861","18.01","","18.01","","18.01","","90","","90","","90","","5841.73","","","","","","","","","","","","","3","F m -3 m","-F 4 2 3","225","","","","- Ce4 Pd29 Si14 -","- Ce4 Pd29 Si14 -","- Ce32 Pd232 Si112 -","8","0.0416667","","Tursina, A.I.; Gribanov, A.V.; Seropegin, Yu.D.; Bodak, O.I.","Crystal structure of the new compound Ce4 Pd29 Si14","Journal of Alloys Compd.","2001","319","","145","147","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00","" "1526862","11.893","","11.893","","11.893","","90","","90","","90","","1682.19","","","","","","","","","","","","","2","P m -3 n","-P 4n 2 3","223","","(C O2)7.42 (D2 O)46","","- C6.1912 O60.8416 -","- C7.42 O60.8416 -","- C7.42 O60.8416 -","1","0.0208333","","Udachin, K.A.; Ratcliffe, C.I.; Ripmeester, J.A.","Structure, composition, and thermal expansion of C O2 hydrate from single crystal X-ray diffraction measurements","J. Phys. Chem. B","2001","105","","4200","4204","","","","","","","","","","","","","","","","","","","","","","has coordinates","148118","2020-10-21","18:00:00","" "1526865","16.214","","16.214","","11.172","","90","","90","","120","","2543.56","","","","","","","","","","","","","4","R -3 :H","-R 3","148","","Na La6 Os I12","","- I12 La6 Na Os -","- I12 La6 Na Os -","- I36 La18 Na3 Os3 -","3","0.166667","","Uma, S.; Corbett, J.D.","Derivatization of the rhombohedral rare-earth-metal (R) cluster halides R7 (Z) X12: the new Na La6 (Os) I12","Journal of Solid State Chemistry","2001","161","","161","165","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "1526866","14.447","","14.447","","10.686","","90","","90","","120","","1931.53","","","","","","","","","","","","","4","P 63/m","-P 6c","176","","La4.333 Cu2.888 V1.444 O13","","- Cu2.888 La4.333 O13 V1.444 -","- Cu2.87 La4.33333 O13 V1.46333 -","- Cu17.22 La26 O78 V8.78 -","6","0.5","","Vander Griend, D.A.; Barry, S.J.; Malo, S.; Poeppelmeier, K.R.; Dravid, V.P.; Dabbousch, N.M.","La3 Cu2 V O9: a surprising variation on the Y Al O3 structure-type with 2D copper clusters of embedded triangles","Solid State Sciences","2001","3","","569","579","","","","","","","","","","","","","","","","","","","","","","has coordinates","148124","2020-10-21","18:00:00","" "1526867","5.53562","","5.52336","","7.8174","","90","","90","","90","","239.019","","","","","","","","","","","","","4","P b n m","-P 2c 2ab","62","","(La0.63 Nd0.37) Ga O3","","- Ga La0.63 Nd0.37 O3 -","- Ga La0.63 Nd0.37 O3 -","- Ga4 La2.52 Nd1.48 O12 -","4","0.5","","Vasylechko, L.; Savytskii, D.; Matkovskii, A.; Bismayer, U.; Berkowski, M.; Knapp, M.","Room and high temperature structure of La1-x Ndx Ga O3 (x = 0.27 and 0.37) perovskites determined by synchrotron powder X-ray diffraction","Journal of Alloys Compd.","2001","328","","264","271","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "1526868","5.55232","","5.55232","","13.4806","","90","","90","","120","","359.906","","","","","","","","","","","","","4","R -3 c :H","-R 3 2""c","167","","(La0.73 Nd0.27) Ga O3","","- Ga La0.73 Nd0.27 O3 -","- Ga La0.73 Nd0.27 O3 -","- Ga6 La4.38 Nd1.62 O18 -","6","0.166667","","Vasylechko, L.; Bismayer, U.; Savytskii, D.; Berkowski, M.; Matkovskii, A.; Knapp, M.","Room and high temperature structure of La1-x Ndx Ga O3 (x = 0.27 and 0.37) perovskites determined by synchrotron powder X-ray diffraction","Journal of Alloys Compd.","2001","328","","264","271","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "1526872","5.51224","","5.49248","","7.77059","","90","","90","","90","","235.261","","","","","","","","","","","","","4","P b n m","-P 2c 2ab","62","","(La0.9 Sm0.1) Ga O3","","- Ga La0.9 O3 Sm0.1 -","- Ga La0.9 O3 Sm0.1 -","- Ga4 La3.6 O12 Sm0.4 -","4","0.5","","Vasylechko, L.; Matkovskii, A.; Borrmann, H.; Niewa, R.; Knapp, M.; Bismayer, U.; Savytskii, D.; Berkowski, M.","R3-c - Pbnm phase transition of La1-x Smx Ga O3 (0 < x < 0.3) perovskites and crystal structures of the orthorhombic and trigonalphases","Solid State Ionics","2001","143","","219","227","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "1526873","5.50389","","5.4922","","7.76402","","90","","90","","90","","234.694","","","","","","","","","","","","","4","P b n m","-P 2c 2ab","62","","(La0.83 Sm0.17) Ga O3","","- Ga La0.83 O3 Sm0.17 -","- Ga La0.83 O3 Sm0.17 -","- Ga4 La3.32 O12 Sm0.68 -","4","0.5","","Vasylechko, L.; Niewa, R.; Borrmann, H.; Knapp, M.; Berkowski, M.; Matkovskii, A.; Bismayer, U.; Savytskii, D.","R3-c - Pbnm phase transition of La1-x Smx Ga O3 (0 < x < 0.3) perovskites and crystal structures of the orthorhombic and trigonalphases","Solid State Ionics","2001","143","","219","227","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "1526874","5.4918","","5.4936","","7.7566","","90","","90","","90","","234.015","","","","","","","","","","","","","4","P b n m","-P 2c 2ab","62","","(La0.7 Sm0.3) Ga O3","","- Ga La0.7 O3 Sm0.3 -","- Ga La0.7 O3 Sm0.3 -","- Ga4 La2.8 O12 Sm1.2 -","4","0.5","","Vasylechko, L.; Bismayer, U.; Borrmann, H.; Niewa, R.; Knapp, M.; Matkovskii, A.; Savytskii, D.; Berkowski, M.","R3-c - Pbnm phase transition of La1-x Smx Ga O3 (0 < x < 0.3) perovskites and crystal structures of the orthorhombic and trigonalphases","Solid State Ionics","2001","143","","219","227","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "1526875","5.55513","","5.55513","","13.4919","","90","","90","","120","","360.572","","","","","","","","","","","","","4","R -3 c :H","-R 3 2""c","167","","(La0.9 Sm0.1) Ga O3","","- Ga La0.9 O3 Sm0.1 -","- Ga La0.9 O3 Sm0.1 -","- Ga6 La5.4 O18 Sm0.6 -","6","0.166667","","Vasylechko, L.; Knapp, M.; Niewa, R.; Borrmann, H.; Bismayer, U.; Savytskii, D.; Matkovskii, A.; Berkowski, M.","R3-c - Pbnm phase transition of La1-x Smx Ga O3 (0 < x < 0.3) perovskites and crystal structures of the orthorhombic and trigonalphases","Solid State Ionics","2001","143","","219","227","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "1526876","6.8125","","9.6228","","10.3801","","90","","91.8771","","90","","680.106","","","","","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","Sr7 Mn4 O15","","- Mn4 O15 Sr7 -","- Mn4 O15 Sr7 -","- Mn8 O30 Sr14 -","2","0.5","","Vente, J.F.; Kamenev, K.V.; Sokolov, D.A.","Structural and magnetic properties of layered Sr7 Mn4 O15","Physical Review, Serie 3. B - Condensed Matter (18,1978-)","2001","64","","2144031","21440310","","","","","","","","","","","","","","","","","","","","","","has coordinates","148136","2020-10-21","18:00:00","" "1526877","5.1779","","5.1779","","8.1533","","90","","90","","120","","189.309","","","","","","","","","","","","","4","P 6/m m m","-P 6 2","191","","Lu Mn6 (Ge5 Ga)","","- Ga Ge5 Lu Mn6 -","- Ga0.98 Ge5.02 Lu Mn6 -","- Ga0.98 Ge5.02 Lu Mn6 -","1","0.0416667","","Venturini, G.; Verniere, A.; Malaman, B.","A neutron diffraction study of (Hf Fe6 Ge6)-type Lu Mn6 Ge6-x Gax compounds (x = 0.4, 0.7 and 1.0)","Journal of Alloys Compd.","2001","319","","22","28","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "1526878","5.1789","","5.1789","","8.1363","","90","","90","","120","","188.987","","","","","","","","","","","","","4","P 6/m m m","-P 6 2","191","","Lu Mn6 Ge4 (Ge1.3 Ga0.7)","","- Ga0.7 Ge5.3 Lu Mn6 -","- Ga0.7 Ge5.3 Lu Mn6 -","- Ga0.7 Ge5.3 Lu Mn6 -","1","0.0416667","","Venturini, G.; Malaman, B.; Verniere, A.","A neutron diffraction study of (Hf Fe6 Ge6)-type Lu Mn6 Ge6-x Gax compounds (x = 0.4, 0.7 and 1.0)","Journal of Alloys Compd.","2001","319","","22","28","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "1526879","5.1898","","5.1898","","8.1315","","90","","90","","120","","189.672","","","","","","","","","","","","","4","P 6/m m m","-P 6 2","191","","Lu Mn6 Ge4 (Ge1.6 Ga0.4)","","- Ga0.4 Ge5.6 Lu Mn6 -","- Ga0.4 Ge5.6 Lu Mn6 -","- Ga0.4 Ge5.6 Lu Mn6 -","1","0.0416667","","Venturini, G.; Verniere, A.; Malaman, B.","A neutron diffraction study of (Hf Fe6 Ge6)-type Lu Mn6 Ge6-x Gax compounds (x = 0.4, 0.7 and 1.0)","Journal of Alloys Compd.","2001","319","","22","28","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "1526880","5.2099","","5.2099","","8.1404","","90","","90","","120","","191.353","","","","","","","","","","","","","4","P 6/m m m","-P 6 2","191","","Tm Mn6 Ge4 (Ge1.8 Ga0.2)","","- Ga0.2 Ge5.8 Mn6 Tm -","- Ga0.2 Ge5.8 Mn6 Tm -","- Ga0.2 Ge5.8 Mn6 Tm -","1","0.0416667","","Venturini, G.; Verniere, A.; Malaman, B.","Neutron diffraction study of Hf Fe6 Ge6 - type Tm Mn6 Ge6-x Gax compounds (x = 0.2, 0.4, 0.6, 0.8 and 1.0)","Journal of Alloys Compd.","2001","319","","50","61","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "1526881","5.2007","","5.2007","","8.1441","","90","","90","","120","","190.764","","","","","","","","","","","","","4","P 6/m m m","-P 6 2","191","","Tm Mn6 Ge4 (Ge1.6 Ga0.4)","","- Ga0.4 Ge5.6 Mn6 Tm -","- Ga0.4 Ge5.6 Mn6 Tm -","- Ga0.4 Ge5.6 Mn6 Tm -","1","0.0416667","","Venturini, G.; Verniere, A.; Malaman, B.","Neutron diffraction study of Hf Fe6 Ge6 - type Tm Mn6 Ge6-x Gax compounds (x = 0.2, 0.4, 0.6, 0.8 and 1.0)","Journal of Alloys Compd.","2001","319","","50","61","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "1526882","5.1886","","5.1886","","8.1445","","90","","90","","120","","189.887","","","","","","","","","","","","","4","P 6/m m m","-P 6 2","191","","Tm Mn6 Ge4 (Ge1.4 Ga0.6)","","- Ga0.6 Ge5.4 Mn6 Tm -","- Ga0.6 Ge5.4 Mn6 Tm -","- Ga0.6 Ge5.4 Mn6 Tm -","1","0.0416667","","Venturini, G.; Verniere, A.; Malaman, B.","Neutron diffraction study of Hf Fe6 Ge6 - type Tm Mn6 Ge6-x Gax compounds (x = 0.2, 0.4, 0.6, 0.8 and 1.0)","Journal of Alloys Compd.","2001","319","","50","61","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "1526883","5.2027","","5.2027","","8.1744","","90","","90","","120","","191.621","","","","","","","","","","","","","4","P 6/m m m","-P 6 2","191","","Tm Mn6 Ge4 (Ge1.2 Ga0.8)","","- Ga0.8 Ge5.2 Mn6 Tm -","- Ga0.8 Ge5.2 Mn6 Tm -","- Ga0.8 Ge5.2 Mn6 Tm -","1","0.0416667","","Venturini, G.; Verniere, A.; Malaman, B.","Neutron diffraction study of Hf Fe6 Ge6 - type Tm Mn6 Ge6-x Gax compounds (x = 0.2, 0.4, 0.6, 0.8 and 1.0)","Journal of Alloys Compd.","2001","319","","50","61","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "1526884","5.1836","","5.1836","","8.1567","","90","","90","","120","","189.805","","","","","","","","","","","","","4","P 6/m m m","-P 6 2","191","","Tm Mn6 (Ge5 Ga)","","- Ga Ge5 Mn6 Tm -","- Ga Ge5 Mn6 Tm -","- Ga Ge5 Mn6 Tm -","1","0.0416667","","Venturini, G.; Verniere, A.; Malaman, B.","Neutron diffraction study of Hf Fe6 Ge6 - type Tm Mn6 Ge6-x Gax compounds (x = 0.2, 0.4, 0.6, 0.8 and 1.0)","Journal of Alloys Compd.","2001","319","","50","61","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "1526885","5.2077","","5.2077","","8.1423","","90","","90","","120","","191.236","","","","","","","","","","","","","4","P 6/m m m","-P 6 2","191","","Ho Mn6 Ge4 (Ge1.8 Ga0.2)","","- Ga0.2 Ge5.8 Ho Mn6 -","- Ga0.2 Ge5.8 Ho Mn6 -","- Ga0.2 Ge5.8 Ho Mn6 -","1","0.0416667","","Venturini, G.; Malaman, B.; Verniere, A.","Multi spin-reorientation process in Hf Fe6 Ge6 - type Ho Mn6 Ge6-x Gax compounds (x = 0.2, 0.4, 1.0)","Journal of Alloys Compd.","2001","320","","46","57","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "1526886","5.2102","","5.2102","","8.1594","","90","","90","","120","","191.822","","","","","","","","","","","","","4","P 6/m m m","-P 6 2","191","","Ho Mn6 Ge4 (Ge1.6 Ga0.4)","","- Ga0.4 Ge5.6 Ho Mn6 -","- Ga0.4 Ge5.6 Ho Mn6 -","- Ga0.4 Ge5.6 Ho Mn6 -","1","0.0416667","","Venturini, G.; Verniere, A.; Malaman, B.","Multi spin-reorientation process in Hf Fe6 Ge6 - type Ho Mn6 Ge6-x Gax compounds (x = 0.2, 0.4, 1.0)","Journal of Alloys Compd.","2001","320","","46","57","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "1526887","5.2142","","5.2142","","8.199","","90","","90","","120","","193.049","","","","","","","","","","","","","4","P 6/m m m","-P 6 2","191","","Ho Mn6 (Ge5 Ga)","","- Ga Ge5 Ho Mn6 -","- Ga Ge5 Ho Mn6 -","- Ga Ge5 Ho Mn6 -","1","0.0416667","","Venturini, G.; Verniere, A.; Malaman, B.","Multi spin-reorientation process in Hf Fe6 Ge6 - type Ho Mn6 Ge6-x Gax compounds (x = 0.2, 0.4, 1.0)","Journal of Alloys Compd.","2001","320","","46","57","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "1526888","8.256","","95.64","","5.018","","90","","90","","90","","3962.23","","","","","","","","","","","","","4","I m m m","-I 2 2","71","","(Sc0.94 Ge0.06) Fe6 Ge2.5 Ga3.5","","- Fe6 Ga3.5 Ge2.56 Sc0.94 -","- Fe6 Ga3.4998 Ge2.5602 Sc0.94 -","- Fe132 Ga76.9956 Ge56.3244 Sc20.68 -","22","1.375","","Venturini, G.","New Hf Fe6 Ge6 - Sc Fe6 Ga6 intergrowth structures in Sc Fe6 Ge6-x Gax compounds (0.5 < x < 5.5)","Journal of Alloys Compd.","2001","322","","190","197","","","","","","","","","","","","","","","","","","","","","","has coordinates","148154","2020-10-21","18:00:00","" "1526889","17.35","","8.375","","15.03","","90","","90","","90","","2183.95","","","","","","","","","","","","","4","C 1 2/m 1","-C 2y","12","","Sc Fe6 (Ge Ga5)","","- Fe6 Ga5 Ge Sc -","- Fe6 Ga4.9998 Ge1.0002 Sc -","- Fe72 Ga59.9976 Ge12.0024 Sc12 -","12","1.5","","Venturini, G.","New Hf Fe6 Ge6 - Sc Fe6 Ga6 intergrowth structures in Sc Fe6 Ge6-x Gax compounds (0.5< x< 5.5)","Journal of Alloys Compd.","2001","322","","190","197","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "1526890","30.9","","8.266","","18.32","","90","","99.21","","90","","4618.96","","","","","","","","","","","","","4","P 1 2/m 1","-P 2y","10","","Tb Fe6 (Ge4.25 Ga1.75)","","- Fe6 Ga1.75 Ge4.25 Tb -","- Fe6 Ga1.7502 Ge4.2498 Tb -","- Fe150 Ga43.755 Ge106.245 Tb25 -","25","6.25","","Venturini, G.","Crystallographic and magnetic properties of Tb Fe6 Ge6-x Gax compounds (0.5 < x < 3.5)","Journal of Alloys Compd.","2001","329","","8","21","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "1526891","20.284","","8.284","","15.215","","90","","119.9","","90","","2216.32","","","","","","","","","","","","","4","C 1 2/m 1","-C 2y","12","","Tb Fe6 Ge4 Ga2","","- Fe6 Ga2 Ge4 Tb -","- Fe6 Ga1.9998 Ge4.0002 Tb -","- Fe72 Ga23.9976 Ge48.0024 Tb12 -","12","1.5","","Venturini, G.","Crystallographic and magnetic properties of Tb Fe6 Ge6-x Gax compounds (0.5 <= x <= 3.5)","Journal of Alloys Compd.","2001","329","","8","21","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "1526892","5.064","","26.32","","8.317","","90","","90","","90","","1108.53","","","","","","","","","","","","","4","C m m m","-C 2 2","65","","Tb Fe6 Ge3.5 Ga2.5","","- Fe6 Ga2.5 Ge3.5 Tb -","- Fe6 Ga2.5002 Ge3.4998 Tb -","- Fe36 Ga15.0012 Ge20.9988 Tb6 -","6","0.375","","Venturini, G.","Crystallographic and magnetic properties of Tb Fe6 Ge6-x Gax compounds (0.5 <= x <= 3.5)","Journal of Alloys Compd.","2001","329","","8","21","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "1526893","5.065","","149.1","","8.347","","90","","90","","90","","6303.58","","","","","","","","","","","","","4","C m m m","-C 2 2","65","","Tb Fe6 Ge3 Ga3","","- Fe6 Ga3 Ge3 Tb -","- Fe6 Ga3 Ge3 Tb -","- Fe204 Ga102 Ge102 Tb34 -","34","2.125","","Venturini, G.","Crystallographic and magnetic properties of Tb Fe6 Ge6-x Gax compounds (0.5 <= x <= 3.5)","Journal of Alloys Compd.","2001","329","","8","21","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "1526895","4.117","","4.117","","7.872","","90","","90","","90","","133.428","","","","","","","","","","","","","3","P 4/n m m :2","-P 4a 2a","129","","Pr Ti Ge","","- Ge Pr Ti -","- Ge Pr Ti -","- Ge2 Pr2 Ti2 -","2","0.125","","Verniere, A.; Klosek, V.; Welter, R.; Malaman, B.; Venturini, G.; Isnard, O.","Neutron diffraction study of the (Ce Fe Si)-type R Ti Ge compounds (R = Pr, Nd, Tb - Er)","Journal of Magnetism and Magnetic Materials","2001","234","","261","273","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "1526896","4.11","","4.11","","7.836","","90","","90","","90","","132.366","","","","","","","","","","","","","3","P 4/n m m :2","-P 4a 2a","129","","Nd Ti Ge","","- Ge Nd Ti -","- Ge Nd Ti -","- Ge2 Nd2 Ti2 -","2","0.125","","Verniere, A.; Klosek, V.; Venturini, G.; Welter, R.; Isnard, O.; Malaman, B.","Neutron diffraction study of the (Ce Fe Si)-type R Ti Ge compounds(R = Pr, Nd, Tb - Er)","Journal of Magnetism and Magnetic Materials","2001","234","","261","273","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "1526897","4.039","","4.039","","7.635","","90","","90","","90","","124.554","","","","","","","","","","","","","3","P 4/n m m :2","-P 4a 2a","129","","Tb Ti Ge","","- Ge Tb Ti -","- Ge Tb Ti -","- Ge2 Tb2 Ti2 -","2","0.125","","Verniere, A.; Klosek, V.; Venturini, G.; Welter, R.; Isnard, O.; Malaman, B.","Neutron diffraction study of the (Ce Fe Si)-type R Ti Ge compounds(R = Pr, Nd, Tb - Er)","Journal of Magnetism and Magnetic Materials","2001","234","","261","273","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "1526898","4.034","","4.034","","7.606","","90","","90","","90","","123.774","","","","","","","","","","","","","3","P 4/n m m :2","-P 4a 2a","129","","Dy Ti Ge","","- Dy Ge Ti -","- Dy Ge Ti -","- Dy2 Ge2 Ti2 -","2","0.125","","Verniere, A.; Klosek, V.; Venturini, G.; Malaman, B.; Welter, R.; Isnard, O.","Neutron diffraction study of the (Ce Fe Si)-type R Ti Ge compounds(R = Pr, Nd, Tb - Er)","Journal of Magnetism and Magnetic Materials","2001","234","","261","273","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "1526899","4.015","","4.015","","7.557","","90","","90","","90","","121.821","","","","","","","","","","","","","3","P 4/n m m :2","-P 4a 2a","129","","Ho Ti Ge","","- Ge Ho Ti -","- Ge Ho Ti -","- Ge2 Ho2 Ti2 -","2","0.125","","Verniere, A.; Klosek, V.; Venturini, G.; Welter, R.; Isnard, O.; Malaman, B.","Neutron diffraction study of the (Ce Fe Si)-type R Ti Ge compounds(R = Pr, Nd, Tb - Er)","Journal of Magnetism and Magnetic Materials","2001","234","","261","273","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "1526900","4.001","","4.001","","7.522","","90","","90","","90","","120.412","","","","","","","","","","","","","3","P 4/n m m :2","-P 4a 2a","129","","Er Ti Ge","","- Er Ge Ti -","- Er Ge Ti -","- Er2 Ge2 Ti2 -","2","0.125","","Verniere, A.; Klosek, V.; Welter, R.; Venturini, G.; Isnard, O.; Malaman, B.","Neutron diffraction study of the (Ce Fe Si)-type R Ti Ge compounds(R = Pr, Nd, Tb - Er)","Journal of Magnetism and Magnetic Materials","2001","234","","261","273","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "1526903","8.4449","","8.4449","","8.2966","","90","","90","","120","","512.413","","","","","","","","","","","","","3","P 63/m m c","-P 6c 2c","194","","Y1.88 Fe15.63 Si1.87","","- Fe15.63 Si1.87 Y1.88 -","- Fe15.628 Si1.874 Y1.88 -","- Fe31.256 Si3.748 Y3.76 -","2","0.0833333","","Voronin, V.I.; Kuchin, A.G.; Berger, I.F.; Balagurov, A.M.; Sheptyakov, D.V.","Real disordered crystal structure and Curie temperature of intermetallic compounds Y2 Fe17-x Mx (M = Si or Al)","Journal of Alloys Compd.","2001","315","","82","89","","","","","","","","","","","","","","","","","","","","","","has coordinates","148176","2020-10-21","18:00:00","" "1526904","8.4424","","8.4424","","8.29751","","90","","90","","120","","512.165","","","","","","","","","","","","","3","P 63/m m c","-P 6c 2c","194","","Y1.855 Fe15.945 Si1.7","","- Fe15.945 Si1.7 Y1.855 -","- Fe15.943 Si1.703 Y1.855 -","- Fe31.886 Si3.406 Y3.71 -","2","0.0833333","","Voronin, V.I.; Berger, I.F.; Kuchin, A.G.; Sheptyakov, D.V.; Balagurov, A.M.","Real disordered crystal structure and Curie temperature of intermetallic compounds Y2 Fe17-x Mx (M = Si or Al)","Journal of Alloys Compd.","2001","315","","82","89","","","","","","","","","","","","","","","","","","","","","","has coordinates","148177","2020-10-21","18:00:00","" "1526905","3.8867","","3.8867","","12.7473","","90","","90","","90","","192.566","","","","","","","","","","","","","3","I 4/m m m","-I 4 2","139","","Sr2 (Ru O4)","","- O4 Ru Sr2 -","- O4 Ru Sr2 -","- O8 Ru2 Sr4 -","2","0.0625","","Voronin, V.I.; Berger, I.F.; Kar'kin, A.E.; Goshchitskii, B.N.; Kozhevnikov, V.L.; Mitberg, E.B.","Crystal structure and valence state of cations in the Sr2 Ru O4 lattice in a wide temperature range","Poverkhnostnye Fizika, Khimiya, Mekhanika","2001","3","","99","106","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "1526908","9.611","","6.444","","7.127","","90","","98.05","","90","","437.049","","","","","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- Cu2 Hf S3 -","- Cu2 Hf S3 -","- Cu8 Hf4 S12 -","4","1","","Wada, H.; Nozaki, H.; Sato, A.","Preparation and crystal structures of Cu2 Hf S3","Journal of Alloys Compd.","2001","317","","217","221","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00","" "1526909","7.8829","","7.8829","","13.5988","","90","","90","","90","","845.031","","","","","","","","","","","","","4","I 4/m c m","-I 4 2c","140","","","","- Ba Ce2 Co S5 -","- Ba Ce2 Co S5 -","- Ba4 Ce8 Co4 S20 -","4","0.125","","Wakeshima, M.; Hinatsu, Y.","Crystal structure and magnetic properties of new quaternary sulfides Ba Ln2 M S5 (Ln= La, Ce, Pr, Nd ; M= Co, Zn) and Ba Nd2 Mn S5","Journal of Solid State Chemistry","2001","159","","163","169","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00","" "1526910","7.8473","","7.8473","","13.579","","90","","90","","90","","836.196","","","","","","","","","","","","","4","I 4/m c m","-I 4 2c","140","","Ba Pr2 Co S5","","- Ba Co Pr2 S5 -","- Ba Co Pr2 S5 -","- Ba4 Co4 Pr8 S20 -","4","0.125","","Wakeshima, M.; Hinatsu, Y.","Crystal structure and magnetic properties of new quaternary sulfides Ba Ln2 M S5 (Ln= La, Ce, Pr, Nd ; M= Co, Zn) and Ba Nd2 Mn S5","Journal of Solid State Chemistry","2001","159","","163","169","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "1526911","7.8134","","7.8134","","13.5586","","90","","90","","90","","827.742","","","","","","","","","","","","","4","I 4/m c m","-I 4 2c","140","","Ba Nd2 Co S5","","- Ba Co Nd2 S5 -","- Ba Co Nd2 S5 -","- Ba4 Co4 Nd8 S20 -","4","0.125","","Wakeshima, M.; Hinatsu, Y.","Crystal structure and magnetic properties of new quaternary sulfides Ba Ln2 M S5 (Ln= La, Ce, Pr, Nd ; M= Co, Zn) and Ba Nd2 Mn S5","Journal of Solid State Chemistry","2001","159","","163","169","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "1526912","7.9823","","7.9823","","13.6708","","90","","90","","90","","871.064","","","","","","","","","","","","","4","I 4/m c m","-I 4 2c","140","","Ba La2 Zn S5","","- Ba La2 S5 Zn -","- Ba La2 S5 Zn -","- Ba4 La8 S20 Zn4 -","4","0.125","","Wakeshima, M.; Hinatsu, Y.","Crystal structure and magnetic properties of new quaternary sulfides Ba Ln2 M S5 (Ln= La, Ce, Pr, Nd ; M= Co, Zn) and Ba Nd2 Mn S5","Journal of Solid State Chemistry","2001","159","","163","169","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "1526913","7.9102","","7.9102","","13.6579","","90","","90","","90","","854.592","","","","","","","","","","","","","4","I 4/m c m","-I 4 2c","140","","Ba Ce2 Zn S5","","- Ba Ce2 S5 Zn -","- Ba Ce2 S5 Zn -","- Ba4 Ce8 S20 Zn4 -","4","0.125","","Wakeshima, M.; Hinatsu, Y.","Crystal structure and magnetic properties of new quaternary sulfides Ba Ln2 M S5 (Ln= La, Ce, Pr, Nd ; M= Co, Zn) and Ba Nd2 Mn S5","Journal of Solid State Chemistry","2001","159","","163","169","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "1526914","7.8719","","7.8719","","13.6327","","90","","90","","90","","844.775","","","","","","","","","","","","","4","I 4/m c m","-I 4 2c","140","","Ba Pr2 Zn S5","","- Ba Pr2 S5 Zn -","- Ba Pr2 S5 Zn -","- Ba4 Pr8 S20 Zn4 -","4","0.125","","Wakeshima, M.; Hinatsu, Y.","Crystal structure and magnetic properties of new quaternary sulfides Ba Ln2 M S5 (Ln= La, Ce, Pr, Nd ; M= Co, Zn) and Ba Nd2 Mn S5","Journal of Solid State Chemistry","2001","159","","163","169","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "1526915","7.8394","","7.8394","","13.6131","","90","","90","","90","","836.609","","","","","","","","","","","","","4","I 4/m c m","-I 4 2c","140","","Ba Nd2 Zn S5","","- Ba Nd2 S5 Zn -","- Ba Nd2 S5 Zn -","- Ba4 Nd8 S20 Zn4 -","4","0.125","","Wakeshima, M.; Hinatsu, Y.","Crystal structure and magnetic properties of new quaternary sulfides Ba Ln2 M S5 (Ln= La, Ce, Pr, Nd ; M= Co, Zn) and Ba Nd2 Mn S5","Journal of Solid State Chemistry","2001","159","","163","169","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "1526916","7.8583","","7.8583","","13.7807","","90","","90","","90","","850.998","","","","","","","","","","","","","4","I 4/m c m","-I 4 2c","140","","Ba Nd2 Mn S5","","- Ba Mn Nd2 S5 -","- Ba Mn Nd2 S5 -","- Ba4 Mn4 Nd8 S20 -","4","0.125","","Wakeshima, M.; Hinatsu, Y.","Crystal structure and magnetic properties of new quaternary sulfides Ba Ln2 M S5 (Ln= La, Ce, Pr, Nd ; M= Co, Zn) and Ba Nd2 Mn S5","Journal of Solid State Chemistry","2001","159","","163","169","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "1526918","19.0404","","4.352","","4.366","","90","","90","","90","","361.783","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- Ce Sb Te -","- Ce Sb Te -","- Ce4 Sb4 Te4 -","4","0.5","","Wang, Y.C.; DiSalvo, F.J.; Poduska, K.M.; Hoffmann, R.","Structure and physical properties of Ce Sb Te","Journal of Alloys Compd.","2001","314","","132","139","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00","" "1526921","13.2334","","16.5065","","5.0337","","90","","90","","90","","1099.55","","","","","","","","","","","","","3","P n n m","-P 2 2n","58","","","","- Nb28 Ni33.56 Sb12.44 -","- Nb28 Ni33.56 Sb12.44 -","- Nb28 Ni33.56 Sb12.44 -","1","0.125","","Wang, M.; Mar, A.","Nb28 Ni33.5 Sb12.5, a new representative of the X-phase","Journal of Solid State Chemistry","2001","160","","450","459","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00","" "1526929","8.334","","8.334","","8.334","","90","","90","","90","","578.843","","","","","","","","","","","","","3","F d -3 m :2","-F 4vw 2vw 3","227","","(Cu0.2 Mn0.8) (Cu0.8 Mn1.2) O4","","- Cu Mn2 O4 -","- Cu1.01 Mn1.95 O4 -","- Cu8.08 Mn15.6 O32 -","8","0.0416667","","Waskowska, A.; Staun Olsen, J.; Gerward, L.; Steenstrup, S.; Talik, E.","Cu Mn2 O4 : properties and the high-pressure induced Jahn-Teller phase transition","Journal of Physics: Condensed Matter","2001","13","","2549","2562","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "1526935","4.047","","4.047","","9.626","","90","","90","","90","","157.657","","","","","","","","","","","","","3","I 4/m m m","-I 4 2","139","","Pr Ni2 Si2","","- Ni2 Pr Si2 -","- Ni2 Pr Si2 -","- Ni4 Pr2 Si4 -","2","0.0625","","Welter, R.; Venturini, G.; Malaman, B.","Structural and magnetic properties of the Th2 Cr2 Si2 - type Pr Ni2 Si2, Pr Ni2 Ge2, Nd Ni2 Si2 and Nd Ni2 Ge2 compounds","Journal of Alloys Compd.","2001","329","","69","75","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "1526936","4.13","","4.13","","9.83","","90","","90","","90","","167.669","","","","","","","","","","","","","3","I 4/m m m","-I 4 2","139","","Pr Ni2 Ge2","","- Ge2 Ni2 Pr -","- Ge2 Ni2 Pr -","- Ge4 Ni4 Pr2 -","2","0.0625","","Welter, R.; Malaman, B.; Venturini, G.","Structural and magnetic properties of the Th2 Cr2 Si2 - type Pr Ni2Si2, Pr Ni2 Ge2, Nd Ni2 Si2 and Nd Ni2 Ge2 compounds","Journal of Alloys Compd.","2001","329","","69","75","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "1526937","4.028","","4.028","","9.603","","90","","90","","90","","155.807","","","","","","","","","","","","","3","I 4/m m m","-I 4 2","139","","","","- Nd Ni2 Si2 -","- Nd Ni2 Si2 -","- Nd2 Ni4 Si4 -","2","0.0625","","Welter, R.; Malaman, B.; Venturini, G.","Structural and magnetic properties of the Th2 Cr2 Si2 - type Pr Ni2Si2, Pr Ni2 Ge2, Nd Ni2 Si2 and Nd Ni2 Ge2 compounds","Journal of Alloys Compd.","2001","329","","69","75","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00","" "1526938","5.642","","9.887","","10.449","","90","","90","","90","","582.871","","","","","","","","","","","","","4","P n a 21","P 2c -2n","33","","Ba Al2 O3 (O H)2 (H2 O)","","- Al2 Ba H4 O6 -","- Al2 Ba O6 -","- Al8 Ba4 O24 -","4","1","","Wen, F.-S.; Chen, J.-S.; Yu, Z.-T.; Chen, W.","Synthesis and characterization of a new layered barium aluminate containing six-membered rings: Ba Al2 O3 (O H)2 * (H2 O)","Journal of Solid State Chemistry","2001","161","","243","248","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "1526940","5.886","","4.658","","8.644","","90","","100.2","","90","","233.247","","","","","","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","Ba Cl (S C N)","","- C Ba Cl N S -","- C Ba Cl N S -","- C2 Ba2 Cl2 N2 S2 -","2","0.5","","Wickleder, C.; Larsen, P.","Ba Cl S C N und Na4 Mg (S C N)6: zwei neue wasserfreie Thiocyanate der Erdalkalimetalle","Zeitschrift fuer Anorganische und Allgemeine Chemie","2001","627","","1279","1282","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "1526941","8.638","","8.638","","13.993","","90","","90","","120","","904.207","","","","","","","","","","","","","5","P -3 1 c","-P 3 2c","163","","Na4 Mg (S C N)6","","- C6 Mg N6 Na4 S6 -","- C6 Mg N6 Na4 S6 -","- C12 Mg2 N12 Na8 S12 -","2","0.166667","","Wickleder, C.; Larsen, P.","Ba Cl S C N und Na4 Mg (S C N)6: zwei neue wasserfreie Thiocyanate der Erdalkalimetalle","Zeitschrift fuer Anorganische und Allgemeine Chemie","2001","627","","1279","1282","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "1526942","8.3411","","8.3411","","8.3411","","90","","90","","90","","580.323","","","","","","","","","","","","","4","F d -3 m :2","-F 4vw 2vw 3","227","","(Fe0.829 Mg0.171) (Fe1.586 Li0.414) O4","","- Fe2.415 Li0.414 Mg0.171 O4 -","- Fe2.415 Li0.414 Mg0.171 O4 -","- Fe19.32 Li3.312 Mg1.368 O32 -","8","0.0416667","","Widatallah, H.M.; Johnson, C.; Berry, F.; Pekala, M.","Synthesis, structural and magnetic characterisation of magnesium-doped lithium ferrite of composition Li0.5 Fe2.5 O4","Solid State Communications","2001","120","","171","175","","","","","","","","","","","","","","","","","","","","","","has coordinates","148225","2020-10-21","18:00:00","" "1526944","5.339","","5.339","","5.339","","90","","90","","90","","152.188","","","","","","","","","","","","","3","P n -3 m :2","-P 4bc 2bc 3","224","","Be (C N)2","","- C2 Be N2 -","- C2 Be N2 -","- C4 Be2 N4 -","2","0.0416667","","Williams, D.; Pleune, B.; Kouvetakis, J.; Leinenweber, K.","Synthesis and structural properties of the binary framework C - N compounds of Be, Mg, Al and Tl","Journal of Solid State Chemistry","2001","159","","244","250","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "1526945","6.122","","6.122","","6.122","","90","","90","","90","","229.446","","","","","","","","","","","","","3","P n -3 m :2","-P 4bc 2bc 3","224","","Mg (C N)2","","- C2 Mg N2 -","- C2 Mg N2 -","- C4 Mg2 N4 -","2","0.0416667","","Williams, D.; Kouvetakis, J.; Pleune, B.; Leinenweber, K.","Synthesis and structural properties of the binary framework C - N compounds of Be, Mg, Al and Tl","Journal of Solid State Chemistry","2001","159","","244","250","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "1526946","5.205","","5.205","","5.205","","90","","90","","90","","141.014","","","","","","","","","","","","","3","P m -3 m","-P 4 2 3","221","","Al (C N)3","","- C3 Al N3 -","- C3 Al N3 -","- C3 Al N3 -","1","0.0208333","","Williams, D.; Kouvetakis, J.; Pleune, B.; Leinenweber, K.","Synthesis and structural properties of the binary framework C - N compounds of Be, Mg, Al and Tl","Journal of Solid State Chemistry","2001","159","","244","250","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "1526948","13.96062","","13.96062","","5.78483","","90","","90","","90","","1127.46","","","","","","","","","","","","","4","I 4/m","-I 4","87","","Ba5 Eu8 Zn4 O21","","- Ba5 Eu8 O21 Zn4 -","- Ba5 Eu8 O21 Zn4 -","- Ba10 Eu16 O42 Zn8 -","2","0.125","","Wong-Ng, W.; Dillingham, J.; Kaduk, J.A.","Crystallographic studies and X-ray diffraction patterns of Ba5 R8 Zn4 O21 by Rietveld refinements","Powder Diffraction","2001","16","","131","143","","","","","","","","","","","","","","","","","","","","","","has coordinates","148234","2020-10-21","18:00:00","" "1526949","13.91895","","13.91895","","5.76822","","90","","90","","90","","1117.52","","","","","","","","","","","","","4","I 4/m","-I 4","87","","Ba5 Gd8 Zn4 O21","","- Ba5 Gd8 O21 Zn4 -","- Ba5 Gd8 O21 Zn4 -","- Ba10 Gd16 O42 Zn8 -","2","0.125","","Wong-Ng, W.; Kaduk, J.A.; Dillingham, J.","Crystallographic studies and X-ray diffraction patterns of Ba5 R8 Zn4 O21 by Rietveld refinements","Powder Diffraction","2001","16","","131","143","","","","","","","","","","","","","","","","","","","","","","has coordinates","148235","2020-10-21","18:00:00","" "1526950","13.80473","","13.80473","","5.72491","","90","","90","","90","","1091","","","","","","","","","","","","","4","I 4/m","-I 4","87","","Ba5 Dy8 Zn4 O21","","- Ba5 Dy8 O21 Zn4 -","- Ba5 Dy8 O21 Zn4 -","- Ba10 Dy16 O42 Zn8 -","2","0.125","","Wong-Ng, W.; Kaduk, J.A.; Dillingham, J.","Crystallographic studies and X-ray diffraction patterns of Ba5 R8 Zn4 O21 by Rietveld refinements","Powder Diffraction","2001","16","","131","143","","","","","","","","","","","","","","","","","","","","","","has coordinates","148236","2020-10-21","18:00:00","" "1526951","13.76577","","13.76577","","5.70754","","90","","90","","90","","1081.56","","","","","","","","","","","","","4","I 4/m","-I 4","87","","Ba5 Ho8 Zn4 O21","","- Ba5 Ho8 O21 Zn4 -","- Ba5 Ho8 O21 Zn4 -","- Ba10 Ho16 O42 Zn8 -","2","0.125","","Wong-Ng, W.; Kaduk, J.A.; Dillingham, J.","Crystallographic studies and X-ray diffraction patterns of Ba5 R8 Zn4 O21 by Rietveld refinements","Powder Diffraction","2001","16","","131","143","","","","","","","","","","","","","","","","","","","","","","has coordinates","148237","2020-10-21","18:00:00","" "1526952","13.71838","","13.71838","","5.69019","","90","","90","","90","","1070.86","","","","","","","","","","","","","4","I 4/m","-I 4","87","","Ba5 Er8 Zn4 O21","","- Ba5 Er8 O21 Zn4 -","- Ba5 Er8 O21 Zn4 -","- Ba10 Er16 O42 Zn8 -","2","0.125","","Wong-Ng, W.; Kaduk, J.A.; Dillingham, J.","Crystallographic studies and X-ray diffraction patterns of Ba5 R8 Zn4 O21 by Rietveld refinements","Powder Diffraction","2001","16","","131","143","","","","","","","","","","","","","","","","","","","","","","has coordinates","148238","2020-10-21","18:00:00","" "1526953","13.67323","","13.67323","","5.67492","","90","","90","","90","","1060.97","","","","","","","","","","","","","4","I 4/m","-I 4","87","","Ba5 Tm8 Zn4 O21","","- Ba5 O21 Tm8 Zn4 -","- Ba5 O21 Tm8 Zn4 -","- Ba10 O42 Tm16 Zn8 -","2","0.125","","Wong-Ng, W.; Kaduk, J.A.; Dillingham, J.","Crystallographic studies and X-ray diffraction patterns of Ba5 R8 Zn4 O21 by Rietveld refinements","Powder Diffraction","2001","16","","131","143","","","","","","","","","","","","","","","","","","","","","","has coordinates","148239","2020-10-21","18:00:00","" "1526954","13.63502","","13.63502","","5.65846","","90","","90","","90","","1051.99","","","","","","","","","","","","","4","I 4/m","-I 4","87","","Ba5 Yb8 Zn4 O21","","- Ba5 O21 Yb8 Zn4 -","- Ba5 O21 Yb8 Zn4 -","- Ba10 O42 Yb16 Zn8 -","2","0.125","","Wong-Ng, W.; Kaduk, J.A.; Dillingham, J.","Crystallographic studies and X-ray diffraction patterns of Ba5 R8 Zn4 O21 by Rietveld refinements","Powder Diffraction","2001","16","","131","143","","","","","","","","","","","","","","","","","","","","","","has coordinates","148240","2020-10-21","18:00:00","" "1526956","8.411","","7.566","","14.359","","90","","90","","90","","913.773","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","Na (H3 O) (Mo3 O10)","","- H3 Mo3 Na O11 -","- Mo3 Na O11 -","- Mo12 Na4 O44 -","4","0.5","","Wu, C.-D.; Wu, D.-M.; Lin, X.; Lu, C.-Z.; Zhuang, H.-H.","Hydrothermal synthesis and crystal structure of trioxomolybdate: Na H3 O Mo3 O10","Jiegon Huaxue","2001","20","","266","269","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "1526957","42.313","","16.924","","26.404","","90","","127.07","","90","","15086.7","","","","","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","(N H4)6 ((Gd2 Mo36 O112) (H2 O)20) (H2 O)52","","- Gd2 Mo36 N6 O163 -","- Gd2 Mo36 N6 O163 -","- Gd8 Mo144 N24 O651.998 -","4","0.5","","Wu, C.-D.; Lin, X.; Yang, W.-B.; Zhuang, H.-H.; Lu, C.-Z.","Synthesis and crystal structure of ((N H4)6) (Gd2 Mo36 O112 (H2 O)20) * 52(H2 O)","Jiegon Huaxue","2001","20","","358","362","","","","","","","","","","","","","","","","","","","","","","has coordinates","148244","2020-10-21","18:00:00","" "1526958","8.904","","8.904","","5.573","","90","","90","","90","","441.834","","","","","","","","","","","","","3","P 4 b m","P 4 -2ab","100","","(H3 O)2 V3 O8","","- H6 O10 V3 -","- O10 V3 -","- O20 V6 -","2","0.25","","Wu, C.-D.; Lin, X.; Yang, W.-B.; Lu, C.-Z.; Zhuang, H.-H.","A novel Mo-doped compound with graphite-like structure: (H3 O)2 V3 O8","Jiegon Huaxue","2001","20","","462","465","","","","","","","","","","","","","","","","","","","","","","has coordinates","148245","2020-10-21","18:00:00","" "1526970","3.8731","","3.8249","","11.6602","","90","","90","","90","","172.737","","","","","","","","","","","","","6","P m m m","-P 2 2","47","","(Y0.81 Ca0.19) (Ba0.9 La0.1)2 Cu3 O7.08","","- Ba1.8 Ca0.19 Cu3 La0.2 O7.08 Y0.81 -","- Ba1.8 Ca0.19 Cu3 La0.2 O7.08 Y0.81 -","- Ba1.8 Ca0.19 Cu3 La0.2 O7.08 Y0.81 -","1","0.125","","Wu, X.S.; Wang, F.Z.; Jiang, S.S.","Structure determination and Rietveld refinement of Y0.8 Ca0.2 Ba1.8 La0.2 Cu3 Oy","Powder Diffraction","2001","16","","212","215","","","","","","","","","","","","","","","","","","","","","","has coordinates","148257","2020-10-21","18:00:00","" "1526971","7.841","","7.841","","7.841","","90","","90","","90","","482.075","","","","","","","","","","","","","3","I m -3 m","-I 4 2 3","229","","Mg4 Rh7 P6","","- Mg4 P6 Rh7 -","- Mg4 P6 Rh7 -","- Mg8 P12 Rh14 -","2","0.0208333","","Wurth, A.; Loehken, A.; Mewis, A.","Neue ternaere Rhodium- und Iridium-Phosphide und -Arsenide mit (U4 Re7 Si6) - Struktur","Zeitschrift fuer Anorganische und Allgemeine Chemie","2001","627","","1213","1216","","","","","","","","","","","","","","","","","","","","","","has coordinates","148258","2020-10-21","18:00:00","" "1526972","8.066","","8.066","","8.066","","90","","90","","90","","524.777","","","","","","","","","","","","","3","I m -3 m","-I 4 2 3","229","","Mg4 Rh7 As6","","- As6 Mg4 Rh7 -","- As6 Mg4 Rh7 -","- As12 Mg8 Rh14 -","2","0.0208333","","Wurth, A.; Loehken, A.; Mewis, A.","Neue ternaere Rhodium- und Iridium-Phosphide und -Arsenide mit (U4 Re7 Si6) - Struktur","Zeitschrift fuer Anorganische und Allgemeine Chemie","2001","627","","1213","1216","","","","","","","","","","","","","","","","","","","","","","has coordinates","148259","2020-10-21","18:00:00","" "1526973","8.254","","8.254","","8.254","","90","","90","","90","","562.333","","","","","","","","","","","","","3","I m -3 m","-I 4 2 3","229","","Yb4 Rh7 As6","","- As6 Rh7 Yb4 -","- As6 Rh7 Yb4 -","- As12 Rh14 Yb8 -","2","0.0208333","","Wurth, A.; Mewis, A.; Loehken, A.","Neue ternaere Rhodium- und Iridium-Phosphide und -Arsenide mit (U4 Re7 Si6) - Struktur","Zeitschrift fuer Anorganische und Allgemeine Chemie","2001","627","","1213","1216","","","","","","","","","","","","","","","","","","","","","","has coordinates","148260","2020-10-21","18:00:00","" "1526974","8.082","","8.082","","8.082","","90","","90","","90","","527.906","","","","","","","","","","","","","3","I m -3 m","-I 4 2 3","229","","Mg4 Ir7 As6","","- As6 Ir7 Mg4 -","- As6 Ir7 Mg4 -","- As12 Ir14 Mg8 -","2","0.0208333","","Wurth, A.; Loehken, A.; Mewis, A.","Neue ternaere Rhodium- und Iridium-Phosphide und -Arsenide mit (U4 Re7 Si6) - Struktur","Zeitschrift fuer Anorganische und Allgemeine Chemie","2001","627","","1213","1216","","","","","","","","","","","","","","","","","","","","","","has coordinates","148261","2020-10-21","18:00:00","" "1526991","9.9767","","9.9767","","9.9767","","90","","90","","90","","993.026","","","","","","","","","","","","","3","I 21 3","I 2b 2c 3","199","","(Li0.51 Mg2.49) N1.83","","- Li0.51 Mg2.49 N1.83 -","- Li0.51 Mg2.49 N1.83 -","- Li8.16 Mg39.84 N29.28 -","16","0.666667","","Yamane, H.; Waseda, Y.; Okabe, T.H.; Ishiyama, O.; Shimada, M.","Ternary nitrides prepared in the (Li3 N)-(Mg3 N2) system at 900 - 1000 K","Journal of Alloys Compd.","2001","319","","124","130","","","","","","","","","","","","","","","","","","","","","","has coordinates","148278","2020-10-21","18:00:00","" "1526992","7.1586","","3.50691","","5.01424","","90","","90","","90","","125.88","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- Li Mg N -","- Li Mg N -","- Li4 Mg4 N4 -","4","0.5","","Yamane, H.; Shimada, M.; Okabe, T.H.; Waseda, Y.; Ishiyama, O.","Ternary nitrides prepared in the (Li3 N)-(Mg3 N2) system at 900 - 1000 K","Journal of Alloys Compd.","2001","319","","124","130","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00","" "1526993","4.99559","","4.99559","","4.99559","","90","","90","","90","","124.67","","","","","","","","","","","","","3","F m -3 m","-F 4 2 3","225","","(Li1.12 Mg0.88) N0.96","","- Li1.12 Mg0.88 N0.96 -","- Li1.12 Mg0.88 N0.96 -","- Li4.48 Mg3.52 N3.84 -","4","0.0208333","","Yamane, H.; Okabe, T.H.; Ishiyama, O.; Shimada, M.; Waseda, Y.","Ternary nitrides prepared in the (Li3 N)-(Mg3 N2) system at 900 - 1000 K","Journal of Alloys Compd.","2001","319","","124","130","","","","","","","","","","","","","","","","","","","","","","has coordinates","148280","2020-10-21","18:00:00","" "1526994","3.74935","","3.74935","","13.5722","","90","","90","","90","","190.793","","","","","","","","","","","","","4","I 4/m m m","-I 4 2","139","","(Sr0.99 La1.01) Zn0.99 O3.495","","- La1.01 O3.495 Sr0.99 Zn0.99 -","- La1.01 O3.4952 Sr0.99 Zn0.99 -","- La2.02 O6.9904 Sr1.98 Zn1.98 -","2","0.0625","","Yamane, H.; Hara, H.; Kubota, S.; Shimada, M.","Synthesis and crystal structure of (Sr1-x La1+x) Zn1-x O3.5-x/2 (0.01 <= x <= 0.03)","Journal of Solid State Chemistry","2001","159","","19","25","","","","","","","","","","","","","","","","","","","","","","has coordinates","148281","2020-10-21","18:00:00","" "1526996","5.698","","5.698","","24.469","","90","","90","","120","","688.005","","","","","","","","","","","","","4","P 63/m m c","-P 6c 2c","194","","Ba5 Co5 Cl O13","","- Ba5 Cl Co5 O13 -","- Ba5 Cl Co5 O13 -","- Ba10 Cl2 Co10 O26 -","2","0.0833333","","Yamaura, K.; Cava, R.J.; Young, D.P.; Besnard, C.; Siegrist, T.; Liu, Y.; Svensson, C.","Synthesis, crystal structure and magnetic and electric properties of the cross-linked chain cobalt oxychloride Ba5 Co5 Cl O13","Journal of Solid State Chemistry","2001","158","","175","179","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "1526997","10.1297","","10.1297","","3.5598","","90","","90","","120","","316.337","","","","","","","","","","","","","4","P -6 2 m","P -6 -2","189","","Sr5 Pb3 Cu O12.62","","- Cu O12.62 Pb3 Sr5 -","- Cu O12.621 Pb3 Sr5 -","- Cu O12.621 Pb3 Sr5 -","1","0.0833333","","Yamaura, K.; Huang, Q.; Takayama-Muromachi, E.","Crystal structure and magnetism of the linear-chain copper oxides Sr5 Pb3-x Bix Cu O12","Physical Review, Serie 3. B - Condensed Matter (18,1978-)","2001","64","","1844281","1844287","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "1526998","10.1236","","10.1236","","3.54182","","90","","90","","120","","314.36","","","","","","","","","","","","","5","P -6 2 m","P -6 -2","189","","Sr5 (Pb2.6 Bi0.4) Cu O12.61","","- Bi0.4 Cu O12.61 Pb2.6 Sr5 -","- Bi0.399 Cu O12.615 Pb2.601 Sr5 -","- Bi0.399 Cu O12.615 Pb2.601 Sr5 -","1","0.0833333","","Yamaura, K.; Huang, Q.; Takayama-Muromachi, E.","Crystal structure and magnetism of the linear-chain copper oxides Sr5 Pb3-x Bix Cu O12","Physical Review, Serie 3. B - Condensed Matter (18,1978-)","2001","64","","1844281","1844287","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "1526999","10.1042","","10.1042","","3.5349","","90","","90","","120","","312.544","","","","","","","","","","","","","5","P -6 2 m","P -6 -2","189","","Sr5 (Pb2.6 Bi0.4) Cu O12.55","","- Bi0.4 Cu O12.55 Pb2.6 Sr5 -","- Bi0.399 Cu O12.549 Pb2.601 Sr5 -","- Bi0.399 Cu O12.549 Pb2.601 Sr5 -","1","0.0833333","","Yamaura, K.; Huang, Q.; Takayama-Muromachi, E.","Crystal structure and magnetism of the linear-chain copper oxides Sr5 Pb3-x Bix Cu O12","Physical Review, Serie 3. B - Condensed Matter (18,1978-)","2001","64","","1844281","1844287","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "1527001","6.7296","","7.355","","22.61","","90","","90","","123.242","","935.981","","","","","","","","","","","","","5","B 1 1 m","B -2","8","","Ca4.9 (Si5.5 Al0.5 O16.3) (O H)0.7 (H2 O)5","","- Al0.5 Ca4.9 H10.7 O22 Si5.5 -","- Al0.5 Ca4.9 O22 Si5.5 -","- Al Ca9.8 O44 Si11 -","2","0.5","","Yamazaki, S.; Toraya, H.","Determination of positions of zeolitic calcium atoms and water molecules in hydrothermally formed aluminium-substituted tobermorite-1.1 nm using synchrotron radiation powder diffraction data","Journal of the American Ceramic Society","2001","84","","2685","2690","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "1527005","14.088","","14.088","","42.199","","90","","90","","120","","7253.23","","","","","","","","","","","","","3","R -3 c :H","-R 3 2""c","167","","((C H2)6 N4 H3 (H2 O)) (Al11 P12 O48)","","- Al11 O48 P12 -","- Al11 O48 P12 -","- Al66 O288 P72 -","6","0.166667","","Yan, W.; Yu, J.; Xu, R.; Shi, Z.; Miao, P.; Wang, Y.; Wang, K.","An anionic framework aluminophosphate ((C H2)6 N4 H3 * (H2 O)) (Al11 P12 O48)","Microporous and Mesoporous Materials","2001","50","","151","158","","","","","","","","","","","","","","","","","","","","","","has coordinates","148293","2020-10-21","18:00:00","" "1527006","9.839","","26.6471","","5.2665","","90","","106.25","","90","","1325.61","","","","","","","","","","","","","8","A 1 2/m 1","-A 2y","12","","((Ca1.104 Na0.896) (Mg0.878 Al1.122) Si4 O12) (K (Ca0.416 Na1.424 K0.1 Mg0.06) Mg3 (Mg1.892 Al0.108) Si8 O22 (O H)2)","","- Al1.23 Ca1.52 H2 K1.1 Mg5.83 Na2.32 O36 Si12 -","- Al1.23 Ca1.52 H2 K1.1 Mg5.83 Na2.32 O36 Si12 -","- Al2.46 Ca3.04 H4 K2.2 Mg11.66 Na4.64 O72 Si24 -","2","0.25","","Yang, H.-X.; Konzett, J.; Prewitt, C.T.","Crystal structure of a new (21)-clinopyribole synthesized at high temperature and pressure","American Mineralogist","2001","86","","1261","1266","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "1527019","12.7214","","12.7214","","12.7214","","90","","90","","90","","2058.75","","","","","","","","","","","","","5","F d -3 m :2","-F 4vw 2vw 3","227","","Zr3 V3 B0.338 O0.507 D8.048","","- B0.338 D8.048 O0.507 V3 Zr3 -","- B0.338 D8.048 O0.507 V3 Zr3 -","- B5.408 D128.768 O8.112 V48 Zr48 -","16","0.0833333","","Yartys', V.A.; Riabov, A.B.; Hauback, B.C.","Neutron diffraction studies of Zr-containing intermetallic hydrides. Cubic Zr3 V3 B0.24 O0.36 D8.0 and Zr3 V3 B0.40 O0.60 D6.4 with filled eta1-type structures","Journal of Alloys Compd.","2001","317","","92","97","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "1527020","12.725","","12.725","","12.725","","90","","90","","90","","2060.5","","","","","","","","","","","","","5","F d -3 m :2","-F 4vw 2vw 3","227","","Zr3 V3 B0.248 O0.372 D7.89","","- B0.248 D7.89 O0.372 V3 Zr3 -","- B0.248 D7.89 O0.372 V3 Zr3 -","- B3.968 D126.24 O5.952 V48 Zr48 -","16","0.0833333","","Yartys', V.A.; Riabov, A.B.; Hauback, B.C.","Neutron diffraction studies of Zr-containing intermetallic hydrides. Cubic Zr3 V3 B0.24 O0.36 D8.0 and Zr3 V3 B0.40 O0.60 D6.4 with filled eta1-type structures","Journal of Alloys Compd.","2001","317","","92","97","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "1527021","12.623","","12.623","","12.623","","90","","90","","90","","2011.35","","","","","","","","","","","","","5","F d -3 m :2","-F 4vw 2vw 3","227","","Zr3 V3 B0.372 O0.558 D5.944","","- B0.372 D5.944 O0.558 V3 Zr3 -","- B0.372 D5.944 O0.558 V3 Zr3 -","- B5.952 D95.104 O8.928 V48 Zr48 -","16","0.0833333","","Yartys', V.A.; Riabov, A.B.; Hauback, B.C.","Neutron diffraction studies of Zr-containing intermetallic hydrides. Cubic Zr3 V3 B0.24 O0.36 D8.0 and Zr3 V3 B0.40 O0.60 D6.4 with filled eta1-type structures","Journal of Alloys Compd.","2001","317","","92","97","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "1527022","12.698","","12.698","","12.698","","90","","90","","90","","2047.42","","","","","","","","","","","","","5","F d -3 m :2","-F 4vw 2vw 3","227","","Zr3 V3 B0.2 O0.3 D8.88","","- B0.2 D8.88 O0.3 V3 Zr3 -","- B0.2 D8.88 O0.3 V3 Zr3 -","- B3.2 D142.08 O4.8 V48 Zr48 -","16","0.0833333","","Yartys', V.A.; Riabov, A.B.; Hauback, B.C.","Neutron diffraction studies of Zr-containing intermetallic hydrides. Cubic Zr3 V3 B0.24 O0.36 D8.0 and Zr3 V3 B0.40 O0.60 D6.4 with filled eta1-type structures","Journal of Alloys Compd.","2001","317","","92","97","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "1527025","19.186","","14.143","","7.484","","90","","90","","90","","2030.77","","","","","","","","","","","","","6","I 2 2 2","I 2 2","23","","Mg1.6 Na2.6 (Al4 Si32 O72) (H2 O)18","","- Al4 H36 Mg1.6 Na2.6 O90 Si32 -","- Al4 Mg1.6 Na2.6 O90 Si32 -","- Al4 Mg1.6 Na2.6 O90 Si32 -","1","0.125","","Yokomori, Y.; Nishi, K.; Wachsmuth, J.","Structure and Bronsted acid sites of ferrierite","Microporous and Mesoporous Materials","2001","50","","137","143","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "1527026","24.7499","","24.7499","","24.7499","","90","","90","","90","","15160.7","","","","","","","","","","","","","4","F d -3 m :2","-F 4vw 2vw 3","227","","Na56 (Al56 Si136 O384)","","- Al56 Na56 O384 Si136 -","- Al56.0064 Na52.72 O384 Si135.994 -","- Al56.0064 Na52.72 O384 Si135.994 -","1","0.00520833","","Yonkeu, A.L.; Buschmann, V.; Miehe, G.; Martens, J.A.; Fuess, H.; Goossens, A.M.","Structural characterization of a new ""core-shell"" zeolite overgrowth system: faujasite on micro-sized EMT crystals","Crystal Engineering","2001","4","","253","267","","","","","","","","","","","","","","","","","","","","","","has coordinates","148314","2020-10-21","18:00:00","" "1527027","17.4426","","17.4426","","28.446","","90","","90","","120","","7495.05","","","","","","","","","","","","","4","P 63/m m c","-P 6c 2c","194","","Na20 (Al20 Si76 O192)","","- Al20 Na20 O192 Si76 -","- Al19.9968 Na19.08 O192 Si76.0032 -","- Al19.9968 Na19.08 O192 Si76.0032 -","1","0.0416667","","Yonkeu, A.L.; Buschmann, V.; Goossens, A.M.; Miehe, G.; Martens, J.A.; Fuess, H.","Structural characterization of a new ""core-shell"" zeolite overgrowth system: faujasite on micro-sized EMT crystals","Crystal Engineering","2001","4","","253","267","","","","","","","","","","","","","","","","","","","","","","has coordinates","148315","2020-10-21","18:00:00","" "1527028","24.935","","24.935","","24.935","","90","","90","","90","","15503.4","","","","","","","","","","","","","5","F d -3 :2","-F 2uv 2vw 3","203","","Pd18 Tl56 (Si100 Al92 O384)","","- Al92 O384 Pd18 Si100 Tl56 -","- Al91.9968 O384 Pd18 Si100.003 Tl56.0032 -","- Al91.9968 O384 Pd18 Si100.003 Tl56.0032 -","1","0.0104167","","Yoon, B.Y.; Song, M.K.; Lee, S.H.; Kim, Y.","Two anhydrous zeolite X crystal structures, Pd18 Tl56 Si100 Al92 O384 and Pd21 Tl50 Si100 Al92 O384","Bulletin of the Korean Chemical Society","2001","22","","30","36","","","","","","","","","","","","","","","","","","","","","","has coordinates","148316","2020-10-21","18:00:00","" "1527029","24.914","","24.914","","24.914","","90","","90","","90","","15464.3","","","","","","","","","","","","","5","F d -3 :2","-F 2uv 2vw 3","203","","Pd21 Tl50 Si100 Al92 O384","","- Al92 O384 Pd21 Si100 Tl50 -","- Al91.9968 O384 Pd21 Si100.003 Tl50 -","- Al91.9968 O384 Pd21 Si100.003 Tl50 -","1","0.0104167","","Yoon, B.Y.; Song, M.K.; Kim, Y.; Lee, S.H.","Two anhydrous zeolite X crystal structures, Pd18 Tl56 Si100 Al92 O384 and Pd21 Tl50 Si100 Al92 O384","Bulletin of the Korean Chemical Society","2001","22","","30","36","","","","","","","","","","","","","","","","","","","","","","has coordinates","148317","2020-10-21","18:00:00","" "1527030","5.4722","","7.7255","","5.474","","90","","90","","90","","231.416","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","La0.5 Pr0.5 Cr O3","","- Cr La0.5 O3 Pr0.5 -","- Cr La0.5 O3 Pr0.5 -","- Cr4 La2 O12 Pr2 -","4","0.5","","Yoshii, K.; Nakamura, A.; Ishii, Y.; Morii, Y.","Magnetic properties of La1-x Prx Cr O3","Journal of Solid State Chemistry","2001","162","","84","89","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "1527031","3.2436","","3.2436","","5.1983","","90","","90","","120","","47.364","","","","","","","","","","","","","3","P 63 m c","P 6c -2c","186","","(Zn0.914 Li0.086) O0.957","","- Li0.086 O0.957 Zn0.914 -","- Li0.086 O0.957 Zn0.914 -","- Li0.172 O1.914 Zn1.828 -","2","0.166667","","Yoshio, K.; Onodera, A.; Satoh, H.; Sakagami, N.; Yamashita, H.","Crystal structure of ZnO:Li at 293K and 19K by X-ray diffraction","Ferroelectrics","2001","264","","133","138","","","","","","","","","","","","","","","","","","","","","","has coordinates","148319","2020-10-21","18:00:00","" "1527038","3.07","","3.07","","3.523","","90","","90","","120","","28.755","","","","","","","","","","","","","3","P 6/m m m","-P 6 2","191","","Mg (B0.9 C0.1)2","","- C0.2 B1.8 Mg -","- C0.2 B1.8 Mg -","- C0.2 B1.8 Mg -","1","0.0416667","","Zhang, S.-Y.; Zhang, J.; Shen, B.-G.; Rong, C.-B.; Zhao, T.-Y.; Cheng, Z.-H.","Structure and superconductivity of Mg (B1-x Cx)2 compounds","Chinese Physics","2001","10","","335","337","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "1527039","5.6457","","5.6457","","56.8873","","90","","90","","120","","1570.3","","","","","","","","","","","","","3","R -3 m :H","-R 3 2""","166","","Y0.83 B28.865 C4.515","","- C4.515 B28.865 Y0.83 -","- C4.515 B28.865 Y0.83 -","- C27.09 B173.19 Y4.98 -","6","0.166667","","Zhang, F.X.; Liu, Q.L.; Xu, F.F.; Mori, T.; Sato, A.; Tanaka, T.","Crystal structure of new rare-earth boron-rich solids: RE B28.5 C4","Journal of Alloys Compd.","2001","329","","168","172","","","","","","","","","","","","","","","","","","","","","","has coordinates","148328","2020-10-21","18:00:00","" "1527040","5.623","","5.623","","44.785","","90","","90","","120","","1226.31","","","","","","","","","","","","","4","R -3 m :H","-R 3 2""","166","","Y0.74 B22.01 C2.15 N0.84","","- C2.15 B22.01 N0.84 Y0.74 -","- C2.15 B22.01 N0.84 Y0.74 -","- C12.9 B132.06 N5.04 Y4.44 -","6","0.166667","","Zhang, F.; Mori, T.; Leithe-Jasper, A.; Tanaka, T.; Xu, J.; Matsui, Y.","Novel rare-earth boron-rich solids","Journal of Solid State Chemistry","2001","159","","174","180","","","","","","","","","","","","","","","","","","","","","","has coordinates","148329","2020-10-21","18:00:00","" "1527041","12.442","","12.442","","3.954","","90","","90","","90","","612.093","","","","","","","","","","","","","5","P 4/m b m","-P 4 2ab","127","","Na (Na1.1 Ba0.9) (Cu0.1 Nb0.9) Nb4 O14.3","","- Ba0.9 Cu0.1 Na2.1 Nb4.9 O14.3 -","- Ba0.9 Cu0.1 Na2.1 Nb4.9 O14.295 -","- Ba1.8 Cu0.2 Na4.2 Nb9.8 O28.59 -","2","0.125","","Zhang, G.-K.; Ouyang, S.-X.; Fang, L.; Qin, L.-Q.; Zhang, Q.","Crystal structure of a new compound: Na2.1 Ba0.9 Cu0.1 Nb4.9 O14.3","Journal of Wuhan University of Technology","2001","16","","30","33","","","","","","","","","","","","","","","","","","","","","","has coordinates","148330","2020-10-21","18:00:00","" "1527042","17.9786","","23.594","","13.1289","","90","","90.141","","90","","5569.09","","","","","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Na10 (La Si W11 O39 (H2 O)4)2 (H2 O)22","","- H60 La2 Na10 O108 Si2 W22 -","- La2 Na10 O108 Si2 W22 -","- La4 Na20 O216 Si4 W44 -","2","0.5","","Zhao, S.-L.; Zhang, H.-H.; Huang, C.-C.; Sun, R.-Q.; Zheng, X.-L.; Lin, Z.-Z.; Lin, Z.-H.; Wu, X.-Y.","Synthesis and crystal structure of Na10 (La Si W11 O39 (H2 O)4)2 * 22(H2 O)","Jiegon Huaxue","2001","20","","451","454","","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00","" "1527046","6.3115","","6.3115","","4.6052","","90","","90","","120","","158.871","","","","","","","","","","","","","3","P 63/m m c","-P 6c 2c","194","","Gd Al2.817 Ge0.183","","- Al2.817 Gd Ge0.183 -","- Al2.817 Gd Ge0.183 -","- Al5.634 Gd2 Ge0.366 -","2","0.0833333","","Zhuravleva, M.A.; Rangan, K.K.; Lane, M.; Brazis, P.; Kannewurf, C.R.; Kanatzidis, M.G.","Flux synthesis, structure and physical properties of new pseudo-binary RE Al3-x Gex compounds","Journal of Alloys Compd.","2001","316","","137","145","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "1527049","9.1314","","9.1314","","10.5817","","90","","90","","120","","764.119","","","","","","","","","","","","","4","R -3 c :H","-R 3 2""c","167","","","","- Ca3 Co Mn O6 -","- Ca3 Co Mn O6 -","- Ca18 Co6 Mn6 O36 -","6","0.166667","","Zubkov, V.G.; Tyutyunnik, A.P.; Bazuev, G.V.; Berger, I.F.","Synthesis, crystal structure and magnetic properties of quasi-one-dimensional oxides Ca3 Cu Mn O6 and Ca3 Co1+x Mn1-x O6","Journal of Solid State Chemistry","2001","160","","293","301","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00","" "1527050","8.8243","","9.1565","","6.3635","","90.203","","92.899","","90.156","","513.506","","","","","","","","","","","","","4","P -1","-P 1","2","","","","- Ca3 Cu0.951 Mn1.049 O6 -","- Ca3 Cu0.951 Mn1.049 O6 -","- Ca12 Cu3.804 Mn4.196 O24 -","4","2","","Zubkov, V.G.; Bazuev, G.V.; Tyutyunnik, A.P.; Berger, I.F.","Synthesis, crystal structure and magnetic properties of quasi-one-dimensional oxides Ca3 Cu Mn O6 and Ca3 Co1+x Mn1-x O6","Journal of Solid State Chemistry","2001","160","","293","301","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00","" "1527052","6.075","","4.384","","6.124","","84.4","","93.25","","94.55","","161.612","","","","","","","","","","","","","3","P 1","P 1","1","","Pb2.667 V1.333 O5.96","","- O5.96 Pb2.667 V1.333 -","- O5.96 Pb2.6648 V1.33 -","- O5.96 Pb2.6648 V1.33 -","1","1","","Zyryanov, V.V.; Lapina, O.B.","Mechanochemical synthesis and structure of new phases in the Pb - V - O system","Neorganicheskie Materialy","2001","37","","331","337","","","","","","","","","","","","","","","","","","","","","","has coordinates","148343","2020-10-21","18:00:00","" "1527053","5.97","","6.27","","9.95","","90","","105.1","","90","","359.588","","","","","","","","","","","","","3","P 1 2/m 1","-P 2y","10","","Pb3.5 V4.51 O14.75","","- O14.75 Pb3.5 V4.51 -","- O14.752 Pb3.504 V4.512 -","- O14.752 Pb3.504 V4.512 -","1","0.25","","Zyryanov, V.V.; Lapina, O.B.","Mechanochemical synthesis and structure of new phases in the Pb - V- O system","Neorganicheskie Materialy","2001","37","","331","337","","","","","","","","","","","","","","","","","","","","","","has coordinates","148344","2020-10-21","18:00:00","" "1527054","13.5505","","7.1404","","14.484","","90","","90","","90","","1401.41","","","","","","","","","","","","","5","P m n 21","P 2ac -2","31","","Rb6 (V2 O3)2 (V O)2 (P O4)4 (H P1.44 V0.56 O7)","","- H O31 P5.44 Rb6 V6.56 -","- O31 P5.44 Rb6 V6.56 -","- O62 P10.88 Rb12 V13.12 -","2","0.5","","le Fur, E.; de Villars, B.; Pivan, J.Y.; Tortelier, J.","New data on rubidium vanadium phosphate. Structure determination of the disordered (V(V) - P(V)) compound Rb6 (V2 O3)2 (V O)2 (P O4)4 (H P2-x Vx O7) with x = 0.6","International Journal of Inorganic Materials","2001","3","","9","15","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "1527055","13.5043","","6.9895","","14.1962","","90","","90","","90","","1339.95","","","","","","","","","","","","","5","P m n 21","P 2ac -2","31","","K6 (V2 O3)2 (V O)2 (P O4)4 (H P2 O7)","","- H K6 O31 P6 V6 -","- K6 O31 P6 V6 -","- K12 O62 P12 V12 -","2","0.5","","le Fur, E.; Tortelier, J.; de Villars, B.; Pivan, J.Y.","Crystal structures of the microporous compounds M6 (V2 O3)2 (V O)2 (P O4)4 (Hy P2-x Vx O7) with M=K(+) ,Tl(+)","International Journal of Inorganic Materials","2001","3","","341","345","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "1527056","13.5472","","7.1765","","14.3812","","90","","90","","90","","1398.16","","","","","","","","","","","","","5","P m n 21","P 2ac -2","31","","Tl6 (V2 O3)2 (V O)2 ((P O4)4 (H P V O7))","","- H O31 P5 Tl6 V7 -","- O31 P5 Tl6 V7 -","- O62 P10 Tl12 V14 -","2","0.5","","le Fur, E.; de Villars, B.; Tortelier, J.; Pivan, J.Y.","Crystal structures of the microporous compounds M6 (V2 O3)2 (V O)2 (P O4)4 (Hy P2-x Vx O7) with M= K(+) ,Tl(+)","International Journal of Inorganic Materials","2001","3","","341","345","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "1527057","18.208","","18.208","","3.8879","","90","","90","","120","","1116.27","","","","","","","","","","","","","3","P -6 m 2","P -6 2","187","","","","- Ce16 Ni36 P22 -","- Ce16 Ni36 P22 -","- Ce16 Ni36 P22 -","1","0.0833333","","le Senechal, C.; Babizhet'sky, V.S.; Guerin, R.; Deputier, S.; Pivan, J.Y.","Direct and reverse limiting series of transition metal phosphides with ordered defects and metal/non metal ratio close to 2","Zeitschrift fuer Anorganische und Allgemeine Chemie","2001","627","","1325","1333","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00","" "1528457","7.416","","12.329","","12.485","","90","","97.379","","90","","1132.07","","","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(Cl Te N S N S) (Fe Cl4)","","- Cl5 Fe N2 S2 Te -","- Cl5 Fe N2 S2 Te -","- Cl20 Fe4 N8 S8 Te4 -","4","1","","Dworak, J.; Haas, A.; Hoppmann, E.; Olteanu, A.; Merz, K.; Schaefers, M.","Preparation of tellurium-nitrogen containing moieties in ionic chainmolecules, heterocycles, as well as (C F3 Se)2 Te, (C F3 S)2 Se, and (C H3)2 Te (X) Y (X = Y = N C O, N S O; X = Cl, Y = N S O)","Zeitschrift fuer Anorganische und Allgemeine Chemie","2001","627","","2639","2646","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "1528701","9.738","","9.738","","7.887","","90","","90","","120","","647.712","","","","","","","","","","","","","5","P 63/m","-P 6c","176","","((C H3)4 N) (Sn I3)","","- C4 H12 I3 N Sn -","- C3.99 I3 N Sn -","- C7.98 I6 N2 Sn2 -","2","0.166667","","Lode, C.; Krautscheid, H.","Iodostannate(II) mit kettenfoermigen [Sn I3](-)-Anionen - der Uebergang von fuenffach zu sechsfach koordinierten Sn(II)-Zentralatomen","Zeitschrift fuer Anorganische und Allgemeine Chemie","2001","627","","841","846","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "1528957","13.4043","","11.6463","","24.321","","90","","90","","90","","3796.76","","","","","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","((C H3)3 Si)3 C Ga (C H3) I","","- C10.878 H29.634 Ga I1.122 Si3 -","- C10.878 H29.634 Ga I1.122 Si3 -","- C87.024 H237.072 Ga8 I8.976 Si24 -","8","1","","Viefhaus, T.; Schwarz, W.; Locke, K.; Huebler, K.; Weidlein, J.","Das unterschiedliche Reaktionsverhalten von basefreiem Tris(trimethylsilyl)methyl-Lithium gegenueber den Trihalogeniden der Erdmetalle und des Eisens","Zeitschrift fuer Anorganische und Allgemeine Chemie","2001","627","","715","725","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "1528958","14.246","","12.654","","18.627","","90","","100.057","","90","","3306.27","","","","","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","Li (((C H3)3 Si)3 C In Br3) (((C H3)3 Si)2 C O)","","- C17 H45 Br3 In Li O Si5 -","- C17 H38.25 Br3 In Li O Si5 -","- C68 H153 Br12 In4 Li4 O4 Si20 -","4","1","","Viefhaus, T.; Schwarz, W.; Huebler, K.; Locke, K.; Weidlein, J.","Das unterschiedliche Reaktionsverhalten von basefreiem Tris(trimethylsilyl)methyl-Lithium gegenueber den Trihalogeniden der Erdmetalle und des Eisens","Zeitschrift fuer Anorganische und Allgemeine Chemie","2001","627","","715","725","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "1528959","28.232","","28.232","","18.305","","90","","90","","90","","14589.9","","","","","","","","","","","","","5","P -4 21 c","P -4 2n","114","","((((C H3)3 Si)3 C In (C H3) O H)3)2 ((((C H3)3 Si)3 C)2 In C H3)","","- C87 H180 In7 O6 Si24 -","- C87 H243 In7 O6 Si24 -","- C348 H972 In28 O24 Si96 -","4","0.5","","Viefhaus, T.; Locke, K.; Schwarz, W.; Huebler, K.; Weidlein, J.","Das unterschiedliche Reaktionsverhalten von basefreiem Tris(trimethylsilyl)methyl-Lithium gegenueber den Trihalogeniden der Erdmetalle und des Eisens","Zeitschrift fuer Anorganische und Allgemeine Chemie","2001","627","","715","725","","","","","","","","","","","","","","","","","","","","","","has coordinates","186640","2020-10-21","18:00:00","" "1528960","16.128","","8.925","","22.713","","90","","109.42","","90","","3083.36","","","","","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","(((C H3)3 Si)3 C)2 Fe","","- C20 H54 Fe Si6 -","- C20 H54 Fe Si6 -","- C80 H216 Fe4 Si24 -","4","0.5","","Viefhaus, T.; Schwarz, W.; Huebler, K.; Weidlein, J.; Locke, K.","Das unterschiedliche Reaktionsverhalten von basefreiem Tris(trimethylsilyl)methyl-Lithium gegenueber den Trihalogeniden der Erdmetalle und des Eisens","Zeitschrift fuer Anorganische und Allgemeine Chemie","2001","627","","715","725","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "1531055","3.8494","","3.8494","","11.4888","","90","","90","","90","","170.24","","","","","","","","","","","","","6","P 4/m m m","-P 4 2","123","","(In0.33 Cu0.67) (Sr1.63 La0.37) (La0.98 Ca0.02) Cu2 O6.92","","- Ca0.02 Cu2.67 In0.33 La1.35 O6.92 Sr1.63 -","- Ca0.02 Cu2.672 In0.328 La1.35 O6.92 Sr1.63 -","- Ca0.02 Cu2.672 In0.328 La1.35 O6.92 Sr1.63 -","1","0.0625","","Afanas'eva, I.N.; Kuz'micheva, G.M.; Mitin, A.V.; Khlybov, E.P.","Indium perovskite-like phases: synthesis, crystal structure, refinement and properties","Zhurnal Strukturnoi Khimii (Issue-No. from 1981)","2001","42","","1157","1173","","","","","","","","","","","","","","","","","","","","","","has coordinates","156370","2020-10-21","18:00:00","" "1531056","3.8683","","3.8683","","11.7167","","90","","90","","90","","175.326","","","","","","","","","","","","","6","P 4/m m m","-P 4 2","123","","(In0.46 Cu0.54) Ba2 (Y0.75 Ca0.25) Cu2 O6.67","","- Ba2 Ca0.25 Cu2.54 In0.46 O6.67 Y0.75 -","- Ba2 Ca0.25 Cu2.54 In0.46 O6.668 Y0.75 -","- Ba2 Ca0.25 Cu2.54 In0.46 O6.668 Y0.75 -","1","0.0625","","Afanas'eva, I.N.; Kuz'micheva, G.M.; Mitin, A.V.; Khlybov, E.P.","Indium perovskite-like phases: synthesis, crystal structure, refinement and properties","Zhurnal Strukturnoi Khimii (Issue-No. from 1981)","2001","42","","1157","1173","","","","","","","","","","","","","","","","","","","","","","has coordinates","156371","2020-10-21","18:00:00","" "1531057","3.8799","","3.8799","","11.6995","","90","","90","","90","","176.12","","","","","","","","","","","","","6","P 4/m m m","-P 4 2","123","","(In0.57 Cu0.43) Ba2 (Y0.80 Ca0.20) Cu2 O6.77","","- Ba2 Ca0.2 Cu2.43 In0.57 O6.77 Y0.8 -","- Ba2 Ca0.2 Cu2.428 In0.572 O6.772 Y0.8 -","- Ba2 Ca0.2 Cu2.428 In0.572 O6.772 Y0.8 -","1","0.0625","","Afanas'eva, I.N.; Kuz'micheva, G.M.; Mitin, A.V.; Khlybov, E.P.","Indium perovskite-like phases: synthesis, crystal structure, refinement and properties","Zhurnal Strukturnoi Khimii (Issue-No. from 1981)","2001","42","","1157","1173","","","","","","","","","","","","","","","","","","","","","","has coordinates","156372","2020-10-21","18:00:00","" "1531058","3.8272","","3.8272","","29.0774","","90","","90","","90","","425.91","","","","","","","","","","","","","6","I 4/m m m","-I 4 2","139","","(In0.98 Cu0.02) (Sr1.25 Ho0.75) (Ho1.89 Ce0.11) Cu2 O9","","- Ce0.11 Cu2.02 Ho2.64 In0.98 O9 Sr1.25 -","- Ce0.11 Cu2.02 Ho2.64 In0.98 O9 Sr1.25 -","- Ce0.22 Cu4.04 Ho5.28 In1.96 O18 Sr2.5 -","2","0.0625","","Afanas'eva, I.N.; Kuz'micheva, G.M.; Mitin, A.V.; Khlybov, E.P.","Indium perovskite-like phases: synthesis, crystal structure, refinement and properties","Zhurnal Strukturnoi Khimii (Issue-No. from 1981)","2001","42","","1157","1173","","","","","","","","","","","","","","","","","","","","","","has coordinates","156373","2020-10-21","18:00:00","" "1531059","3.8254","","3.8254","","29.0557","","90","","90","","90","","425.192","","","","","","","","","","","","","6","I 4/m m m","-I 4 2","139","","(In0.87 Cu0.13) (Sr1.52 Ho0.48) (Ho1.95 Ce0.05) Cu2 O9","","- Ce0.05 Cu2.13 Ho2.43 In0.87 O9 Sr1.52 -","- Ce0.05 Cu2.132 Ho2.43 In0.868 O9 Sr1.52 -","- Ce0.1 Cu4.264 Ho4.86 In1.736 O18 Sr3.04 -","2","0.0625","","Afanas'eva, I.N.; Kuz'micheva, G.M.; Mitin, A.V.; Khlybov, E.P.","Indium perovskite-like phases: synthesis, crystal structure, refinement and properties","Zhurnal Strukturnoi Khimii (Issue-No. from 1981)","2001","42","","1157","1173","","","","","","","","","","","","","","","","","","","","","","has coordinates","156374","2020-10-21","18:00:00","" "1531077","5.021","","15.8","","13.646","","90","","94.49","","90","","1079.24","","","","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Cs Fe2 (H P O4)2 (P O4) (H2 O)","","- Cs Fe2 H4 O13 P3 -","- Cs Fe2 O13 P3 -","- Cs4 Fe8 O52 P12 -","4","1","","Anisimova, N.Yu.; Ilyukhin, A.B.; Chudinova, N.N.; Serafin, M.","Hydrothermal synthesis and crystal structure of Cs Fe(III)2 (H P O4)2 (P O4) (H2 O)","Zhurnal Neorganicheskoi Khimii","2001","46","","1784","1787","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "1531111","31.882","","8.934","","29.058","","90","","92.72","","90","","8267.38","","","","","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","(C (N H2)3)3 (Bi Br6)","","- C3 H18 Bi Br6 N9 -","- C3 Bi Br6 N9 -","- C48 Bi16 Br96 N144 -","16","2","","Bator, G.; Zaleski, J.; Zeegers-Huyskens, T.; Jakubas, R.","Structure and phase transitions in guanidinium halogenobismuthates(III)","Journal of Molecular Structure","2001","570","","61","74","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "1531112","9.1631","","9.1631","","9.1631","","90","","90","","90","","769.356","","","","","","","","","","","","","3","I m -3","-I 2 2 3","204","","","","- Eu0.83 Fe4 Sb12 -","- Eu0.83 Fe4 Sb12 -","- Eu1.66 Fe8 Sb24 -","2","0.0416667","","Bauer, E.; Michor, H.; Berger, S.; Galatanu, A.; Paul, C.; Galli, M.; Hilscher, G.; Grytsiv, A.V.; Ni, B.; Rogl, P.; Abd-Elmeguid, M.M.; Tran, V.H.","Crystal structure and physical properties of Eu0.83 Fe4 Sb12","Physical Review, Serie 3. B - Condensed Matter (18,1978-)","2001","63","","2244141","2244147","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00","" "1531116","10.3554","","10.3554","","37.133","","90","","90","","120","","3448.45","","","","","","","","","","","","","5","R 3 c :H","R 3 -2""c","161","","Ca9 Mn Li (P O4)7","","- Ca9 Li Mn O28 P7 -","- Ca9 Li Mn O28 P7 -","- Ca54 Li6 Mn6 O168 P42 -","6","0.333333","","Belik, A.A.; Gutan, V.B.; Ivanov, L.N.; Lazoryak, B.I.","Synthesis, structure and luminescence properties of Ca9 Mn M (P O4)7 (M = Li, Na, K)","Zhurnal Neorganicheskoi Khimii","2001","46","","885","892","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "1531117","10.3764","","10.3764","","37.079","","90","","90","","120","","3457.42","","","","","","","","","","","","","5","R 3 c :H","R 3 -2""c","161","","Ca9 Mn Na (P O4)7","","- Ca9 Mn Na O28 P7 -","- Ca9 Mn Na O28 P7 -","- Ca54 Mn6 Na6 O168 P42 -","6","0.333333","","Belik, A.A.; Gutan, V.B.; Ivanov, L.N.; Lazoryak, B.I.","Synthesis, structure and luminescence properties of Ca9 Mn M (P O4)7 (M = Li, Na, K)","Zhurnal Neorganicheskoi Khimii","2001","46","","885","892","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "1531118","10.4179","","10.4179","","37.009","","90","","90","","120","","3478.55","","","","","","","","","","","","","5","R 3 c :H","R 3 -2""c","161","","Ca9 Mn K (P O4)7","","- Ca9 K Mn O28 P7 -","- Ca9 K Mn O28 P7 -","- Ca54 K6 Mn6 O168 P42 -","6","0.333333","","Belik, A.A.; Lazoryak, B.I.; Gutan, V.B.; Ivanov, L.N.","Synthesis, structure and luminescence properties of Ca9 Mn M (P O4)7 (M = Li, Na, K)","Zhurnal Neorganicheskoi Khimii","2001","46","","885","892","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "1531119","11.6993","","9.99637","","9.06743","","90","","97.5144","","90","","1051.33","","","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Sr2 Co (P O4)2","","- Co O8 P2 Sr2 -","- Co O8 P2 Sr2 -","- Co6 O48 P12 Sr12 -","6","1.5","","Belik, A.A.; Lazoryak, B.I.; Terekhina, T.P.; Polyakov, S.N.","Synthesis and structure of Sr2 Co (P O4)2","Zhurnal Neorganicheskoi Khimii","2001","46","","1453","1459","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "1531121","10.07","","10.07","","8.53","","90","","90","","120","","749.098","","","","","","","","","","","","","4","P 3 1 c","P 3 -2c","159","","Pb3 (O H) (B9 O16) (B (O H)3)","","- B10 H4 O20 Pb3 -","- B10 O20 Pb3 -","- B20 O40 Pb6 -","2","0.333333","","Belokoneva, E.L.; Dimitrova, O.V.; Borisova, T.A.; Stefanovich, S.Yu.","New nonlinear-optical Pb3 (O H) (B9 O16) (B (O H)3) crystal with the zeolite-like nonaborate framework, its place in systematization, and structure-genetic relation to Pb B4 O7","Zhurnal Neorganicheskoi Khimii","2001","46","","1788","1794","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "1531122","9.581","","9.581","","15.9","","90","","90","","120","","1264.01","","","","","","","","","","","","","5","P 61 2 2","P 61 2 (0 0 5)","178","","In (B P2 O8) (H2 O)0.8","","- B H1.6 In O8.8 P2 -","- B In O8.8 P2 -","- B6 In6 O52.8 P12 -","6","0.5","","Belokoneva, E.L.; Al'-Ama, A.G.; Gurbanova, O.A.; Dimitrova, O.V.; Stefanovich, S.Yu.","Synthesis, crystal structure and properties of a new indium borophosphate In (B P2 O8) * 0.8(H2 O)","Zhurnal Neorganicheskoi Khimii","2001","46","","1115","1120","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "1531123","9.666","","6.66","","10.73","","90","","90","","109.5","","651.129","","","","","","","","","","","","","5","P 1 1 21/n","-P 2n","14","","Pb In (P O4) (P O3 (O H))","","- H In O8 P2 Pb -","- In O8 P2 Pb -","- In4 O32 P8 Pb4 -","4","1","","Belokoneva, E.L.; Gurbanova, O.A.; Dimitrova, O.V.; Al'-Ama, A.G.; Stefanovich, S.Yu.","Synthesis and crystal structure of the new indium lead phosphate Pb In (P O4) (P O3 (OH))","Zhurnal Neorganicheskoi Khimii","2001","46","","1121","1126","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "1531133","19.37","","5.27","","5.27","","90","","90","","90","","537.961","","","","","","","","","","","","","3","C m c m","-C 2c 2","63","","Ca3 (Mn2 O7)","","- Ca3 Mn2 O7 -","- Ca3 Mn2 O7 -","- Ca12 Mn8 O28 -","4","0.25","","Bendersky, L.A.; Chen Rongji; Fawcett, I.D.; Greenblatt, M.","TEM study of the electron-doped layered La2-2x Ca1+2x Mn2 O7: orthorhombic phase in the 0.8 < x < 1.0 composition range","Journal of Solid State Chemistry","2001","157","","309","323","","","","","","","","","","","","","","","","","","","","","","has coordinates","156477","2020-10-21","18:00:00","" "1531146","19.765","","7.54","","8.384","","90","","98.87","","90","","1234.51","","","","","","","","","","","","","6","P 1 2/m 1","-P 2y","10","","Sr (Fe (C N)5 (N O)) (H2 O)4","","- C5 H8 Fe N6 O5 Sr -","- C5 H8 Fe N6 O5 Sr -","- C20 H32 Fe4 N24 O20 Sr4 -","4","1","","Chevrier, G.; Navaza, A.; Aymonino, P. J.; Kiat, J. M.; Zuriaga, M. J.; Martin, C. A.; Monti, G. A.; Güida, J. A.; Lanzelotti, P. L.","Low temperature phases of strontium nitroprusside tetrahydrate (Sr(Fe(CN)~5~NO) * 4(H~2~O)). Refinement of the neutron structure at 60 K","Journal of Chemical Crystallography","2001","31","11-12","491","500","10.1023/A:1015707632369","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "1531302","14.745","","9.843","","9.092","","90","","90","","90","","1319.57","","","","","","","","","","","","","1","P n n m","-P 2 2n","58","","","","- C60 -","- C60 -","- C120 -","2","0.25","","Dilanyan, R.A.; Khasanov, S.S.; Gurov, A.F.; Osip'yan, Yu.A.; Bredikhin, S.I.; Kveder, V.V.; Shalynin, A.I.","Phase transitions and the structure of the C60 crystal doped with lithium by electrodiffusion","Zhurnal Eksperimental'noi i Teoreticheskoi Fiziki","2001","93","","1430","1437","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00","" "1531304","8.558","","8.558","","12.441","","90","","90","","120","","789.097","","","","","","","","","","","","","2","R -3 m :H","-R 3 2""","166","","Sm2 Fe17","","- Fe17 Sm2 -","- Fe17 Sm2 -","- Fe51 Sm6 -","3","0.0833333","","Djega-Mariadassou, C.; Bessais, L.; Nandra, A.; Burzo, E.; Greneche, J.M.","Structure and hyperfine properties of Sm2 (Fe, Si)17","Physical Review, Serie 3. B - Condensed Matter (18,1978-)","2001","65","","014419-1","014419-8","","","","","","","","","","","","","","","","","","","","","","has coordinates","156700","2020-10-21","18:00:00","" "1531305","8.527","","8.527","","12.428","","90","","90","","120","","782.572","","","","","","","","","","","","","3","R -3 m :H","-R 3 2""","166","","Sm2 Fe5 (Fe10.5 Si1.5)","","- Fe15.5 Si1.5 Sm2 -","- Fe15.5 Si1.5 Sm2 -","- Fe46.5 Si4.5 Sm6 -","3","0.0833333","","Djega-Mariadassou, C.; Bessais, L.; Greneche, J.M.; Nandra, A.; Burzo, E.","Structure and hyperfine properties of Sm2 (Fe, Si)17","Physical Review, Serie 3. B - Condensed Matter (18,1978-)","2001","65","","014419-1","014419-8","","","","","","","","","","","","","","","","","","","","","","has coordinates","156701","2020-10-21","18:00:00","" "1531308","13.07","","7.713","","12.577","","90","","109.97","","90","","1191.64","","","","","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","K3 (Er Cl6)","","- Cl6 Er K3 -","- Cl6 Er K3 -","- Cl24 Er4 K12 -","4","1","","Dudek, H.; Seifert, H.J.","Das System (K Cl)/(Er Cl3) und die Modifikationen der Verbindungen K3 Ln Cl6 (Ln = Ce - Lu, Y)","Zeitschrift fuer Anorganische und Allgemeine Chemie","2001","627","","2317","2322","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "1531327","6.8584","","17.7523","","6.1865","","90","","90","","90","","753.221","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","Y3 Cl (Si O4)2","","- Cl O8 Si2 Y3 -","- Cl O8 Si2 Y3 -","- Cl4 O32 Si8 Y12 -","4","0.5","","Hartenbach, I.; Schleid, T.","Zwei Chloridsilicate des Yttriums: Y3 Cl (Si O4)2 und Y6 Cl10 (Si4 O12)","Zeitschrift fuer Anorganische und Allgemeine Chemie","2001","627","","2493","2498","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "1531328","10.6146","","10.3091","","11.5615","","90","","103.279","","90","","1231.31","","","","","","","","","","","","","4","C 1 2/m 1","-C 2y","12","","Y6 Cl10 (Si4 O12)","","- Cl10 O12 Si4 Y6 -","- Cl10 O12 Si4 Y6 -","- Cl20 O24 Si8 Y12 -","2","0.25","","Hartenbach, I.; Schleid, T.","Zwei Chloridsilicate des Yttriums: Y3 Cl (Si O4)2 und Y6 Cl10 (Si4 O12)","Zeitschrift fuer Anorganische und Allgemeine Chemie","2001","627","","2493","2498","","","","","","","","","","","","","","","","","","","","","","has coordinates","156753","2020-10-21","18:00:00","" "1531358","9.101","","11.496","","5.935","","90","","90","","90","","620.95","","","","","","","","","","","","","3","P m c n","-P 2n 2a","62","","Pb2 Bi O2 (P O4)","","- Bi P Pb2 -","- Bi P Pb2 -","- Bi4 P4 Pb8 -","4","0.5","","Giraud, S.; Conflant, P.; Drache, M.; Mizrahi, A.; Steinfink, H.; Wignacourt, J.P.","A new family of compounds with tetrahedral anions: Pbn Bi On (X O4), X = V, P, As, n = 1,2,4. a comparison with lead oxysulfates Pbn Pb On (S O4)","Solid State Sciences","2001","3","","593","602","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "1531390","12.096","","3.67","","24.93","","90","","90","","90","","1106.7","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","Mg2 Co12 As7","","- As7 Co12 Mg2 -","- As7 Co12 Mg2 -","- As28 Co48 Mg8 -","4","0.5","","Hellmann, A.; Mewis, A.","Neue Erdalkalimetall-Phosphide und -Arsenide des Cobalts","Zeitschrift fuer Anorganische und Allgemeine Chemie","2001","627","","1357","1364","","","","","","","","","","","","","","","","","","","","","","has coordinates","156852","2020-10-21","18:00:00","" "1531392","9.012","","9.012","","3.504","","90","","90","","120","","246.455","","","","","","","","","","","","","3","P -6","P -6","174","","Mg2 Co12 P7","","- Co12 Mg2 P7 -","- Co12 Mg2 P7 -","- Co12 Mg2 P7 -","1","0.166667","","Hellmann, A.; Mewis, A.","Neue Erdalkalimetall-Phosphide und -Arsenide des Cobalts","Zeitschrift fuer Anorganische und Allgemeine Chemie","2001","627","","1357","1364","","","","","","","","","","","","","","","","","","","","","","has coordinates","156855","2020-10-21","18:00:00","" "1531393","9.073","","9.073","","3.585","","90","","90","","120","","255.577","","","","","","","","","","","","","3","P -6","P -6","174","","","","- Ca2 Co12 P7 -","- Ca2 Co12 P7 -","- Ca2 Co12 P7 -","1","0.166667","","Hellmann, A.; Mewis, A.","Neue Erdalkalimetall-Phosphide und -Arsenide des Cobalts","Zeitschrift fuer Anorganische und Allgemeine Chemie","2001","627","","1357","1364","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00","" "1531395","9.428","","9.428","","3.728","","90","","90","","120","","286.976","","","","","","","","","","","","","3","P 63/m","-P 6c","176","","Ca2 Co12 As7","","- As7 Ca2 Co12 -","- As7 Ca2 Co12 -","- As7 Ca2 Co12 -","1","0.0833333","","Hellmann, A.; Mewis, A.","Neue Erdalkalimetall-Phosphide und -Arsenide des Cobalts","Zeitschrift fuer Anorganische und Allgemeine Chemie","2001","627","","1357","1364","","","","","","","","","","","","","","","","","","","","","","has coordinates","156860","2020-10-21","18:00:00","" "1531398","6.609","","6.609","","3.38","","90","","90","","120","","127.855","","","","","","","","","","","","","3","P -6 m 2","P -6 2","187","","Mg Co6 P4","","- Co6 Mg P4 -","- Co6 Mg P4 -","- Co6 Mg P4 -","1","0.0833333","","Hellmann, A.; Mewis, A.","Neue Erdalkalimetall-Phosphide und -Arsenide des Cobalts","Zeitschrift fuer Anorganische und Allgemeine Chemie","2001","627","","1357","1364","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "1531399","9.2293","","12.766","","7.7813","","90","","96.156","","90","","911.516","","","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","K2 (Pd0.5 Pt0.5 (N O2)4)","","- K2 N4 O8 Pd0.5 Pt0.5 -","- K2 N4 O8 Pd0.5 Pt0.5 -","- K8 N16 O32 Pd2 Pt2 -","4","1","","Gromilov, S.A.; Khranenko, S.P.; Baidina, I.A.; Belyaev, A.V.","Synthesis and crystal structure of K2 (Pd0.5 Pt0.5 (N O2)4)","Zhurnal Strukturnoi Khimii (Issue-No. from 1981)","2001","42","","828","832","","","","","","","","","","","","","","","","","","","","","","has coordinates","156864","2020-10-21","18:00:00","" "1531408","7.69","","3.883","","11.737","","90","","90","","90","","350.47","","","","","","","","","","","","","4","P m m m","-P 2 2","47","","Y Ba2 Cu3 O6.5","","- Ba2 Cu3 O6.5 Y -","- Ba2 Cu3 O6.5 Y -","- Ba4 Cu6 O13 Y2 -","2","0.25","","Grybos, J.; Typek, J.; Guskos, N.; Wabia, M.","Main- and superstructure by X-ray scattering for annealed single crystal of Y Ba2 Cu3 O6.5","Molecular Physics Reports","2001","34","","121","128","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "1531411","7.684","","3.886","","11.777","","90","","90","","90","","351.662","","","","","","","","","","","","","4","P m m m","-P 2 2","47","","Y Ba2 Cu3 O6.71","","- Ba2 Cu3 O6.71 Y -","- Ba2 Cu3 O6.71 Y -","- Ba4 Cu6 O13.42 Y2 -","2","0.25","","Grybos, J.; Guskos, N.; Wabia, M.; Typek, J.","Main- and superstructure by X-ray scattering for annealed single crystal of Y Ba2 Cu3 O6.5","Molecular Physics Reports","2001","34","","121","128","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "1531436","5.3788","","5.385","","13.139","","90","","90","","90","","380.569","","","","","","","","","","","","","3","P c c n","-P 2ab 2ac","56","","La2 Cu O4.02","","- Cu La2 O4.02 -","- Cu La2 O4.02 -","- Cu4 La8 O16.08 -","4","0.5","","Hidaka, M.; Tanaka, K.; Wakimoto, H.; Yoshimura, M.; Ohba, M.; Yamada, K.","Structural phase transition and structural properties in oxygenated La2 Cu O4+y; y = 0.02","Phase Transition","2001","74","","391","408","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "1531440","9.8719","","14.1791","","8.7184","","90","","124.37","","90","","1007.29","","","","","","","","","","","","","8","P 1 21/m 1","-P 2yb","11","","(Ca0.52 Na0.54) K0.15 Li4 (Al5.92 Si10.08 O32) (H2 O)13.31","","- Al5.92 Ca0.52 H26.62 K0.15 Li4 Na0.54 O45.31 Si10.08 -","- Al5.92 Ca0.52 K0.15 Li4 Na0.536 O45.314 Si10.08 -","- Al5.92 Ca0.52 K0.15 Li4 Na0.536 O45.314 Si10.08 -","1","0.25","","Gualtieri, A.F.","The structure of Li-phillipsite","Studies in Surface Science and Catalysis","2001","135","","25","32","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "1531459","8.9117","","8.9117","","8.9117","","90","","90","","90","","707.753","","","","","","","","","","","","","2","I -4 3 d","I -4bd 2c 3","220","","","","- Pr2.7 Se4 -","- Pr2.7 Se4 -","- Pr10.8 Se16 -","4","0.0833333","","Folchnandt, M.; Schleid, T.","Single crystals of C-(La2 Se3), C-(Pr2 Se3) and C-(Gd2 Se3) with cation-deficient (Th3P4)-type structure","Zeitschrift fuer Anorganische und Allgemeine Chemie","2001","627","","1411","1413","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00","" "1531462","8.7256","","8.7256","","8.7256","","90","","90","","90","","664.333","","","","","","","","","","","","","2","I -4 3 d","I -4bd 2c 3","220","","","","- Gd2.664 Se4 -","- Gd2.664 Se4 -","- Gd10.656 Se16 -","4","0.0833333","","Folchnandt, M.; Schleid, T.","Single crystals of C-(La2 Se3), C-(pr2 Se3) and C-(Gd2 Se3) with cation-deficient (Th3P4)-type structure","Zeitschrift fuer Anorganische und Allgemeine Chemie","2001","627","","1411","1413","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00","" "1531484","5.49","","7.946","","6.929","","90","","90","","90","","302.268","","","","","","","","","","","","","5","P m n n","-P 2n 2","58","","Li In (P O3 (O H))2","","- H2 In Li O8 P2 -","- H2 In Li O8 P2 -","- H4 In2 Li2 O16 P4 -","2","0.25","","Gurbanova, O.A.; Dimitrova, O.V.; Belokoneva, E.L.; Al'-Ama, A.G.","The new phosphate Li In (P O3 (O H))2: Synthesis and crystal structure","Zhurnal Neorganicheskoi Khimii","2001","46","","1442","1448","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "1531526","5.5008","","5.5008","","13.276","","90","","90","","120","","347.896","","","","","","","","","","","","","3","R -3 c :H","-R 3 2""c","167","","La (Mn O3)","","- La Mn O3 -","- La Mn O3 -","- La6 Mn6 O18 -","6","0.166667","","Huang, T.-S.; Chen, C.H.; Tai, M.F.","Studies on crystal structure and magnetic scaling behavior of perovskite-like (La1-x Pbx) Mn O3 system with x = 0 - 0.5","Materials Research Society Symposia Proceedings","2001","674","","U3.4.1","U3.4.6","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "1531528","5.5033","","5.5033","","13.293","","90","","90","","120","","348.658","","","","","","","","","","","","","4","R -3 c :H","-R 3 2""c","167","","(La0.9 Pb0.1) Mn O3","","- La0.88 Mn O3 Pb0.1 -","- La0.88 Mn O3 Pb0.1 -","- La5.28 Mn6 O18 Pb0.6 -","6","0.166667","","Huang, T.-S.; Chen, C.H.; Tai, M.F.","Studies on crystal structure and magnetic scaling behavior of perovskite-like (La1-x Pbx) Mn O3 system with x = 0 - 0.5","Materials Research Society Symposia Proceedings","2001","674","","U3.4.1","U3.4.6","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "1531530","5.5019","","5.5019","","13.293","","90","","90","","120","","348.481","","","","","","","","","","","","","4","R -3 c :H","-R 3 2""c","167","","(La0.78 Pb0.2) Mn1.17 O3.57","","- La0.78 Mn1.17 O3.57 Pb0.2 -","- La0.78 Mn1.17 O3.57 Pb0.2 -","- La4.68 Mn7.02 O21.42 Pb1.2 -","6","0.166667","","Huang, T.-S.; Chen, C.H.; Tai, M.F.","Studies on crystal structure and magnetic scaling behavior of perovskite-like (La1-x Pbx) Mn O3 system with x = 0 - 0.5","Materials Research Society Symposia Proceedings","2001","674","","U3.4.1","U3.4.6","","","","","","","","","","","","","","","","","","","","","","has coordinates","157020","2020-10-21","18:00:00","" "1531533","5.5037","","5.5037","","13.334","","90","","90","","120","","349.785","","","","","","","","","","","","","4","R -3 c :H","-R 3 2""c","167","","(La0.69 Pb0.3) Mn1.05 O3.21","","- La0.69 Mn1.05 O3.21 Pb0.3 -","- La0.69 Mn1.05 O3.21 Pb0.3 -","- La4.14 Mn6.3 O19.26 Pb1.8 -","6","0.166667","","Huang, T.-S.; Chen, C.H.; Tai, M.F.","Studies on crystal structure and magnetic scaling behavior of perovskite-like (La1-x Pbx) Mn O3 system with x = 0 - 0.5","Materials Research Society Symposia Proceedings","2001","674","","U3.4.1","U3.4.6","","","","","","","","","","","","","","","","","","","","","","has coordinates","157023","2020-10-21","18:00:00","" "1531536","5.5217","","5.5217","","13.404","","90","","90","","120","","353.925","","","","","","","","","","","","","4","R -3 c :H","-R 3 2""c","167","","(La0.62 Pb0.41) Mn1.1 O3.12","","- La0.52 Mn1.1 O3.12 Pb0.41 -","- La0.52 Mn1.1 O3.12 Pb0.41 -","- La3.12 Mn6.6 O18.72 Pb2.46 -","6","0.166667","","Huang, T.-S.; Chen, C.H.; Tai, M.F.","Studies on crystal structure and magnetic scaling behavior of perovskite-like (La1-x Pbx) Mn O3 system with x = 0 - 0.5","Materials Research Society Symposia Proceedings","2001","674","","U3.4.1","U3.4.6","","","","","","","","","","","","","","","","","","","","","","has coordinates","157026","2020-10-21","18:00:00","" "1531539","5.4842","","5.4842","","13.383","","90","","90","","120","","348.587","","","","","","","","","","","","","4","R -3 c :H","-R 3 2""c","167","","(La0.49 Pb0.5) Mn1.07 O3.21","","- La0.49 Mn1.07 O3.21 Pb0.5 -","- La0.49 Mn1.07 O3.21 Pb0.5 -","- La2.94 Mn6.42 O19.26 Pb3 -","6","0.166667","","Huang, T.-S.; Tai, M.F.; Chen, C.H.","Studies on crystal structure and magnetic scaling behavior of perovskite-like (La1-x Pbx) Mn O3 system with x = 0 - 0.5","Materials Research Society Symposia Proceedings","2001","674","","U3.4.1","U3.4.6","","","","","","","","","","","","","","","","","","","","","","has coordinates","157029","2020-10-21","18:00:00","" "1531541","4.8772","","14.266","","8.1","","90","","90.02","","90","","563.583","","","","","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","(N H4) (Sn F (S O4))","","- F H4 N O4 S Sn -","- F H4 N O4 S Sn -","- F4 H16 N4 O16 S4 Sn4 -","4","1","","Kokunov, Yu.V.; Detkov, D.G.; Erahova, M.M.; Gorbunova, Yu.E.; Mikhailov, Yu.N.","Tin(II) sulfato fluoro mixed complexes. The synthesis and structure of M (Sn F (S O4)) (M = N H4 and K)","Zhurnal Neorganicheskoi Khimii","2001","46","","266","270","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "1531544","6.098","","7.115","","7.242","","107.77","","101.93","","109.91","","263.859","","","","","","","","","","","","","5","P -1","-P 1","2","","K (Sn F (S O4))","","- F K O4 S Sn -","- F K O4 S Sn -","- F2 K2 O8 S2 Sn2 -","2","1","","Kokunov, Yu.V.; Detkov, D.G.; Mikhailov, Yu.N.; Erahova, M.M.; Gorbunova, Yu.E.","Tin(II) sulfato fluoro mixed complexes. The synthesis and structureof M (Sn F (S O4)) (M = N H4 and K)","Zhurnal Neorganicheskoi Khimii","2001","46","","266","270","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "1531551","13.0574","","13.0574","","7.8935","","90","","90","","90","","1345.81","","","","","","","","","","","","","3","P -4 21 c","P -4 2n","114","","","","- Cs Cu5 S3 -","- Cs Cu5 S3 -","- Cs8 Cu40 S24 -","8","1","","Huster, J.; Bronger, W.","Cs Cu5 S3 - eine neue Verbindung in zwei Modifikationen","Zeitschrift fuer Anorganische und Allgemeine Chemie","2001","627","","1395","1400","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00","" "1531554","3.9552","","8.951","","9.635","","90","","90","","90","","341.108","","","","","","","","","","","","","3","P m c m","-P 2c 2","51","","","","- Cs Cu5 S3 -","- Cs Cu5 S3 -","- Cs2 Cu10 S6 -","2","0.25","","Huster, J.; Bronger, W.","Cs Cu5 S3 - eine neue Verbindung in zwei Modifikationen","Zeitschrift fuer Anorganische und Allgemeine Chemie","2001","627","","1395","1400","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00","" "1531565","17.7447","","10.6719","","7.2828","","90","","98.962","","90","","1362.31","","","","","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","Ba4 (Ga2 O7)","","- Ba4 Ga2 O7 -","- Ba4 Ga2 O7 -","- Ba24 Ga12 O42 -","6","1.5","","Kahlenberg, V.","Crystal structure determination of tetrabarium-digalliumoxide, Ba4 Ga2 O7","Zeitschrift fuer Anorganische und Allgemeine Chemie","2001","627","","2386","2390","","","","","","","","","","","","","","","","","","","","","","has coordinates","157057","2020-10-21","18:00:00","" "1531570","10.655","","5.9418","","14.57","","90","","111.34","","90","","859.181","","","","","","","","","","","","","5","P 1 21 1","P 2yb","4","","K (C F3 (S O3))","","- C F3 K O3 S -","- C F3 K O3 S -","- C6 F18 K6 O18 S6 -","6","3","","Korus, G.; Jansen, M.","Kristallstruktur, Phasenumwandlung und Kaliumionenleitfaehigkeit von Kaliumtrifluormethylsulfonat","Zeitschrift fuer Anorganische und Allgemeine Chemie","2001","627","","1599","1605","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "1531577","16.344","","9.424","","7.968","","90","","90","","90","","1227.28","","","","","","","","","","","","","5","P n a 21","P 2c -2n","33","","(Co (N H3)5 Cl) (Pd Cl4)","","- Cl5 Co H15 N5 Pd -","- Cl5 Co H15 N5 Pd -","- Cl20 Co4 H60 N20 Pd4 -","4","1","","Koz'min, P.A.; Surazhskaya, M.D.; Bol'shakova, M.D.; Bol'shakov, A.M.","Structure of pentaamminechlorocobalt(III) tetrachloropalladate(II) (Co (N H3)5 Cl) (Pd Cl4)","Zhurnal Neorganicheskoi Khimii","2001","46","","1639","1641","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "1531618","10.4379","","10.4379","","10.4379","","90","","90","","90","","1137.21","","","","","","","","","","","","","4","F d -3 m :2","-F 4vw 2vw 3","227","","Na Sr Mg2 F7","","- F7 Mg2 Na Sr -","- F7 Mg2 Na Sr -","- F56 Mg16 Na8 Sr8 -","8","0.0416667","","Kubel, F.; Dundjerski, B.","Synthese und Kristallstrukturanalyse von Na Sr Mg2 F7, einer vollstaendig fluorierten Verbindung des Pyrochlortyps","Zeitschrift fuer Anorganische und Allgemeine Chemie","2001","627","","1589","1592","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "1531628","16.985","","16.985","","3.877","","90","","90","","120","","968.629","","","","","","","","","","","","","3","P 63/m","-P 6c","176","","Dy12 Ni30 As20.6","","- As20.6 Dy12 Ni30 -","- As20.6 Dy12 Ni30 -","- As20.6 Dy12 Ni30 -","1","0.0833333","","Jeitschko, W.; Terbuechte, L.J.; Rodewald, U.C.","The ternary lanthanoid nickel arsenides Tb12 Ni30 As21 and Dy12 Ni30 As21 with (La, Ce)12 Rh30 P21 type related structure","Zeitschrift fuer Anorganische und Allgemeine Chemie","2001","627","","2673","2679","","","","","","","","","","","","","","","","","","","","","","has coordinates","157138","2020-10-21","18:00:00","" "1531630","14.683","","6.392","","20.821","","90","","110.538","","90","","1829.92","","","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","(N H4) (Ti F5)","","- F5 H4 N Ti -","- F5 N Ti -","- F80 N16 Ti16 -","16","4","","Kavun, V.Ya.; Laptash, N.M.; Bukvetskii, B.V.; Sergienko, S.S.; Maslenikova, I.G.","Structure and internal mobility of complex ions in ammonium pentafluorotitanate according to XRD and NMR data","Zhurnal Strukturnoi Khimii (Issue-No. from 1981)","2001","42","","921","927","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "1531664","5.5453","","5.5453","","25.6867","","90","","90","","90","","789.875","","","","","","","","","","","","","4","P 4/m m m","-P 4 2","123","","Pb Bi2 (Nb2 O9)","","- Bi2 Nb2 O9 Pb -","- Bi2 Nb2 O9 Pb -","- Bi8 Nb8 O36 Pb4 -","4","0.25","","Kim, J.S.; Lee, C.H.; Cheon, C.-I.; Choo, W.-G.","Crystal structure of high temperature phase in (Bi2 O2)-layered perovskites A Bi2 M2 O9 (A = Pb, Sr; M = Nb, Ta)","Journal of the Korean Ceramic Society","2001","38","","962","966","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "1531666","5.5457","","25.6975","","5.5496","","90","","90","","90","","790.877","","","","","","","","","","","","","4","A b a 2","A 2 -2ab","41","","Pb Bi2 (Nb2 O9)","","- Bi2 Nb2 O9 Pb -","- Bi1.97 Nb2 O9 Pb1.03 -","- Bi7.88 Nb8 O36 Pb4.12 -","4","","","Kim, J.S.; Choo, W.-G.; Cheon, C.-I.; Lee, C.H.","Crystal structure of high temperature phase in (Bi2 O2)-layered perovskites A Bi2 M2 O9 (A = Pb, Sr; M = Nb, Ta)","Journal of the Korean Ceramic Society","2001","38","","962","966","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "1531668","5.527","","5.5244","","24.9935","","90","","90","","90","","763.136","","","","","","","","","","","","","4","A m 2 m","A -2 -2","38","","Sr0.96 Bi1.97 Ta2 O8.9","","- Bi1.97 O8.9 Sr0.96 Ta2 -","- Bi1.975 O8.9 Sr0.965 Ta2 -","- Bi7.9 O35.6 Sr3.86 Ta8 -","4","0.5","","Kim, J.S.; Cheon, C.-I.; Lee, C.H.; Choo, W.-G.","Crystal structure of high temperature phase in (Bi2 O2)-layered perovskites A Bi2 M2 O9 (A = Pb, Sr; M = Nb, Ta)","Journal of the Korean Ceramic Society","2001","38","","962","966","","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00","" "1531670","21.8761","","21.8761","","21.8761","","90","","90","","90","","10469.1","","","","","","","","","","","","","2","I -4 3 d","I -4bd 2c 3","220","","U O2.234","","- O2.234 U -","- O2.23438 U -","- O572 U256 -","256","5.33333","","Kim, J.S.; Choi, Y.-N.; Lee, C.H.; Kim, S.-H.; Lee, Y.-W.","Crystal structure analysis of uranium oxides","Journal of the Korean Ceramic Society","2001","38","","967","972","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "1531672","5.5161","","5.5161","","5.5161","","90","","90","","90","","167.84","","","","","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","U O2.02","","- O2.02 U -","- O2.016 U -","- O8.064 U4 -","4","0.0208333","","Kim, J.S.; Choi, Y.-N.; Lee, C.H.; Kim, S.-H.; Lee, Y.-W.","Crystal structure analysis of uranium oxides","Journal of the Korean Ceramic Society","2001","38","","967","972","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "1531682","3.8951","","3.8951","","6.2714","","90","","90","","120","","82.401","","","","","","","","","","","","","3","P -3 m 1","-P 3 2""","164","","","","- Cu1.45 Er0.85 S2 -","- Cu1.452 Er0.851 S2 -","- Cu1.452 Er0.851 S2 -","1","0.0833333","","Lauxmann, P.; Schleid, T.","Cu1.45 Er0.85 S2: ein Kupfer(I) - Erbium(III) - Sulfid mit kationendefekter (Ca Al2 Si2)-Struktur","Zeitschrift fuer Anorganische und Allgemeine Chemie","2001","627","","9","11","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00","" "1531687","7.997","","11.146","","11.328","","60.89","","73.96","","83.62","","847.506","","","","","","","","","","","","","5","P 1","P 1","1","","Na7 (V W6 O24) (H2 O)14","","- H28 Na7 O38 V W6 -","- Na7 O38 V W6 -","- Na7 O38 V W6 -","1","1","","Kin'ones, S.O.; Kaziev, G.Z.; Volodina, V.A.; Zavodnik, V.E.; de Ita, A.; Bel'skii, V.K.","Synthesis and study of sodium hexatungstovanadate(V)","Zhurnal Neorganicheskoi Khimii","2001","46","","1076","1080","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "1531711","3.82843","","3.82843","","28.505","","90","","90","","90","","417.794","","","","","","","","","","","","","6","I 4/m m m","-I 4 2","139","","Ru Sr2 (Gd1.3 Ce0.7) Cu2 O9.9","","- Ce0.7 Cu2 Gd1.3 O9.9 Ru Sr2 -","- Ce0.7 Cu2 Gd1.3 O9.9 Ru Sr2 -","- Ce1.4 Cu4 Gd2.6 O19.8 Ru2 Sr4 -","2","0.0625","","Knee, C.S.; Weller, M.T.","A neutron powder diffraction study of the ferromagnetic superconductor Ru Sr2 (Gd1.3 Ce0.7) Cu2 O10-d","Materials Research Society Symposia Proceedings","2001","659","","II9.7.1","II9.7.6","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "1531772","8.0586","","8.0585","","3.7409","","90","","90","","90","","242.935","","","","","","","","","","","","","4","C m m m","-C 2 2","65","","(Co (N D3)2) Cl2","","- Cl2 Co D6 N2 -","- Cl2 Co D6 N2 -","- Cl4 Co2 D12 N4 -","2","0.125","","Leineweber, A.; Fauth, F.; Jacobs, H.; Allenspach, P.; Essmann, R.; Fischer, P.","Co (N H3)2 Cl2 and Co (N D3)2 Cl2: order-disorder behaviour of N (H, D)3 and antiferromagnetic structure","Zeitschrift fuer Anorganische und Allgemeine Chemie","2001","627","","2063","2069","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "1531775","7.9999","","7.9911","","7.4033","","90","","90","","90","","473.278","","","","","","","","","","","","","4","I b m m","-I 2c 2c","74","","(Co (N D3)2) Cl2","","- Cl2 Co D6 N2 -","- Cl2 Co D6 N2 -","- Cl8 Co4 D24 N8 -","4","0.25","","Leineweber, A.; Fauth, F.; Jacobs, H.; Allenspach, P.; Essmann, R.; Fischer, P.","Co (N H3)2 Cl2 and Co (N D3)2 Cl2: order-disorder behaviour of N (H, D)3 and antiferromagnetic structure","Zeitschrift fuer Anorganische und Allgemeine Chemie","2001","627","","2063","2069","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "1531776","5.9611","","11.403","","17.179","","90","","90","","90","","1167.73","","","","","","","","","","","","","3","F d d d :2","-F 2uv 2vw","70","","K3 (Fe2 O4)","","- Fe2 K3 O4 -","- Fe2 K3 O4 -","- Fe16 K24 O32 -","8","0.25","","Moeller, A.","Das gemischtvalente ternaere Oxoferrat(II,III) K3 (Fe2 O4) - eine aufgefuellte Variante des K2 (Fe2 O4) - Typs","Zeitschrift fuer Anorganische und Allgemeine Chemie","2001","627","","2537","2541","","","","","","","","","","","","","","","","","","","","","","has coordinates","157333","2020-10-21","18:00:00","" "1531780","5.5918","","11.221","","15.928","","90","","90","","90","","999.412","","","","","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","K2 (Fe2 O4)","","- Fe2 K2 O4 -","- Fe2 K2 O4 -","- Fe16 K16 O32 -","8","1","","Moeller, A.","Das gemischtvalente ternaere Oxoferrat(II,III) K3 (Fe2 O4) - eine aufgefuellte Variante des K2 (Fe2 O4) - Typs","Zeitschrift fuer Anorganische und Allgemeine Chemie","2001","627","","2537","2541","","","","","","","","","","","","","","","","","","","","","","has coordinates","157338","2020-10-21","18:00:00","" "1531809","7.0371","","11.0632","","7.3524","","90","","108.066","","90","","544.186","","","","","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","Ce (Te2 O6)","","- Ce O6 Te2 -","- Ce O6 Te2 -","- Ce4 O24 Te8 -","4","1","","Meier, S.F.; Weber, F.A.; Schleid, T.; Glaeser, R.J.","Einkristalle des Cer(IV) - Oxotellurate(IV) Ce Te2 O6","Zeitschrift fuer Anorganische und Allgemeine Chemie","2001","627","","2448","2450","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "1531813","3.6356","","3.6356","","29.512","","90","","90","","120","","337.817","","","","","","","","","","","","","5","R -3 m :H","-R 3 2""","166","","Na Zr2 N2 S Cl","","- Cl N2 Na S Zr2 -","- Cl N2 Na S Zr2 -","- Cl3 N6 Na3 S3 Zr6 -","3","0.0833333","","Lissner, F.; Schleid, T.","Na Zr2 N2 S Cl: ein flussmittelstabilisiertes Derivat von Zirconium(IV) - Nitridsulfid (Zr2 N2 S)","Zeitschrift fuer Anorganische und Allgemeine Chemie","2001","627","","2307","2309","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "1531872","9.455","","5.6229","","7.4185","","90","","90.867","","90","","394.356","","","","","","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","K3 Eu (P O4)2","","- Eu K3 O8 P2 -","- Eu K3 O8 P2 -","- Eu2 K6 O16 P4 -","2","0.5","","Morozov, V.A.; Lazoryak, B.I.; Bobylev, A.P.; Gerasimova, N.V.; Pushkina, G.Ya.; Mikhailin, V.V.; Kirichenko, A.N.; Komissarova, L.N.","Structure and spectral properties of double phosphates and vanadates K3 Eu (E O4)2 (E = P, V)","Zhurnal Neorganicheskoi Khimii","2001","46","","805","813","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "1531875","9.8391","","5.91","","7.5203","","90","","90.855","","90","","437.25","","","","","","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","K3 Eu (V O4)2","","- Eu K3 O8 V2 -","- Eu K3 O8 V2 -","- Eu2 K6 O16 V4 -","2","0.5","","Morozov, V.A.; Gerasimova, N.V.; Bobylev, A.P.; Mikhailin, V.V.; Kirichenko, A.N.; Pushkina, G.Ya.; Lazoryak, B.I.; Komissarova, L.N.","Structure and spectral properties of double phosphates and vanadates K3 Eu (E O4)2 (E = P, V)","Zhurnal Neorganicheskoi Khimii","2001","46","","805","813","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "1531877","5.3106","","12.85","","19.469","","90","","92.265","","90","","1327.55","","","","","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Li K Nd2 (Mo O4)4","","- K Li Mo4 Nd2 O16 -","- K Li Mo4 Nd2 O16 -","- K4 Li4 Mo16 Nd8 O64 -","4","0.5","","Morozov, V.A.; Basovich, O.M.; Lazoryak, B.I.; Smirnov, V.A.; Mikhailin, V.V.; Khaikina, E.G.","Crystal structure and luminescence properties of ternary molybdates Li M Nd2 (Mo O4)4 (M = K, Rb, Tl)","Zhurnal Neorganicheskoi Khimii","2001","46","","977","982","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "1531880","5.3072","","12.972","","19.604","","90","","92.478","","90","","1348.38","","","","","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Li Rb Nd2 (Mo O4)4","","- Li Mo4 Nd2 O16 Rb -","- Li Mo4 Nd2 O16 Rb -","- Li4 Mo16 Nd8 O64 Rb4 -","4","0.5","","Morozov, V.A.; Lazoryak, B.I.; Basovich, O.M.; Mikhailin, V.V.; Smirnov, V.A.; Khaikina, E.G.","Crystal structure and luminescence properties of ternary molybdates Li M Nd2 (Mo O4)4 (M = K, Rb, Tl)","Zhurnal Neorganicheskoi Khimii","2001","46","","977","982","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "1531883","5.3131","","12.937","","19.617","","90","","92.625","","90","","1346.97","","","","","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Li Tl Nd2 (Mo O4)4","","- Li Mo4 Nd2 O16 Tl -","- Li Mo4 Nd2 O16 Tl -","- Li4 Mo16 Nd8 O64 Tl4 -","4","0.5","","Morozov, V.A.; Lazoryak, B.I.; Smirnov, V.A.; Khaikina, E.G.; Mikhailin, V.V.; Basovich, O.M.","Crystal structure and luminescence properties of ternary molybdates Li M Nd2 (Mo O4)4 (M = K, Rb, Tl)","Zhurnal Neorganicheskoi Khimii","2001","46","","977","982","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "1531887","14.367","","11.682","","7.826","","90","","90","","90","","1313.48","","","","","","","","","","","","","5","P n a 21","P 2c -2n","33","","Cs2 (U O2 (Se O4)2 (H2 O)) (H2 O)","","- Cs2 H4 O12 Se2 U -","- Cs2 O12 Se2 U -","- Cs8 O48 Se8 U4 -","4","1","","Mikhailov, Yu.N.; Gorbunova, Yu.E.; Shishkina, O.V.; Serezhkin, V.N.; Serezhkina, L.B.","Crystal structure of Cs2 ((U O2 (Se O4)2) * (H2 O)) * (H2 O)","Zhurnal Neorganicheskoi Khimii","2001","46","","1828","1832","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "1531890","8.65","","11.003","","13.879","","90","","108.08","","90","","1255.72","","","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Na2 (U O2 (Se O4)2) (H2 O)4","","- H8 Na2 O14 Se2 U -","- Na2 O14 Se2 U -","- Na8 O56 Se8 U4 -","4","1","","Mikhailov, Yu.N.; Serezhkina, L.B.; Gorbunova, Yu.E.; Serezhkin, V.N.; Baeva, E.E.","Crystal structure of Na2 (U O2 (Se O4)2) * 4(H2 O)","Zhurnal Neorganicheskoi Khimii","2001","46","","2017","2021","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "1531901","3.874","","3.874","","9.827","","90","","90","","90","","147.482","","","","","","","","","","","","","3","P 4/n m m :2","-P 4a 2a","129","","Ho Cu As2","","- As2 Cu Ho -","- As2 Cu Ho -","- As4 Cu2 Ho2 -","2","0.125","","Mozharivsky, Yu.; Kaczorowski, D.; Franzen, H.F.","Symmetry-breaking transitions in Ho Cu As2-x Px and Er Cu As2-x Px (x = 0 - 2): crystal structure, application of Landau theory, magnetic and electrical properties","Zeitschrift fuer Anorganische und Allgemeine Chemie","2001","627","","2163","2172","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "1531902","3.7919","","3.7941","","9.7321","","90","","90","","90","","140.014","","","","","","","","","","","","","4","P m m n :2","-P 2ab 2a","59","","Ho Cu (As0.99 P1.01)","","- As0.99 Cu Ho P1.01 -","- As0.986 Cu Ho P1.014 -","- As1.972 Cu2 Ho2 P2.028 -","2","0.25","","Mozharivsky, Yu.; Franzen, H.F.; Kaczorowski, D.","Symmetry-breaking transitions in Ho Cu As2-x Px and Er Cu As2-x Px (x = 0 - 2): crystal structure, application of Landau theory, magnetic and electrical properties","Zeitschrift fuer Anorganische und Allgemeine Chemie","2001","627","","2163","2172","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "1531903","3.774","","3.774","","9.68","","90","","90","","90","","137.873","","","","","","","","","","","","","4","P 4/n m m :2","-P 4a 2a","129","","Er Cu (As1.07 P0.93)","","- As1.07 Cu Er P0.93 -","- As1.071 Cu Er P0.929 -","- As2.142 Cu2 Er2 P1.858 -","2","0.125","","Mozharivsky, Yu.; Franzen, H.F.; Kaczorowski, D.","Symmetry-breaking transitions in Ho Cu As2-x Px and Er Cu As2-x Px (x = 0 - 2): crystal structure, application of Landau theory, magnetic and electrical properties","Zeitschrift fuer Anorganische und Allgemeine Chemie","2001","627","","2163","2172","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "1531904","5.273","","5.305","","9.645","","90","","90","","90","","269.802","","","","","","","","","","","","","3","C m m a","-C 2a 2","67","","Ho Cu P2","","- Cu Ho P2 -","- Cu Ho P2 -","- Cu4 Ho4 P8 -","4","0.25","","Mozharivsky, Yu.; Kaczorowski, D.; Franzen, H.F.","Symmetry-breaking transitions in Ho Cu As2-x Px and Er Cu As2-x Px (x = 0 - 2): crystal structure, application of Landau theory, magnetic and electrical properties","Zeitschrift fuer Anorganische und Allgemeine Chemie","2001","627","","2163","2172","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "1531905","3.737","","19.239","","3.728","","90","","90.09","","90","","268.028","","","","","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","Er Cu P2","","- Cu Er P2 -","- Cu Er P2 -","- Cu4 Er4 P8 -","4","1","","Mozharivsky, Yu.; Kaczorowski, D.; Franzen, H.F.","Symmetry-breaking transitions in Ho Cu As2-x Px and Er Cu As2-x Px (x = 0 - 2): crystal structure, application of Landau theory, magnetic and electrical properties","Zeitschrift fuer Anorganische und Allgemeine Chemie","2001","627","","2163","2172","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "1531918","21.9448","","21.9448","","21.9448","","90","","90","","90","","10568.1","","","","","","","","","","","","","5","F m -3 m","-F 4 2 3","225","","Rb5.89 (H3 O)3.11 (P V14 O42) (H2 O)5.27","","- H19.87 O50.38 P Rb5.89 V14 -","- O50.3764 P Rb5.8802 V13.998 -","- O403.011 P8 Rb47.0416 V111.984 -","8","0.0416667","","Murashova, E.V.; Chudinova, N.N.; Ilyukhin, A.B.","Synthesis and structure of 14-heteropolyvanadate Rb5.89 (H3 O)3.11 (P V(V)14 O42) * 5.27(H2 O)","Zhurnal Neorganicheskoi Khimii","2001","46","","1431","1434","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "1531919","22.6","","22.6","","3.82","","90","","90","","120","","1689.7","","","","","","","","","","","","","3","P -6 m 2","P -6 2","187","","","","- Ce25 Ni49 P33 -","- Ce25 Ni49 P33 -","- Ce25 Ni49 P33 -","1","0.0833333","","le Senechal, C.; Babizhet'sky, V.S.; Guerin, R.; Deputier, S.; Pivan, J.Y.","Direct and reverse limiting series of transition metal phosphides with ordered defects and metal/non metal ratio close to 2","Zeitschrift fuer Anorganische und Allgemeine Chemie","2001","627","","1325","1333","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00","" "1531921","10.8061","","10.8061","","3.3138","","90","","90","","120","","335.116","","","","","","","","","","","","","3","P -6 m 2","P -6 2","187","","U Mo13 P9","","- Mo13 P9 U -","- Mo13 P9 U -","- Mo13 P9 U -","1","0.0833333","","le Senechal, C.; Guerin, R.; Deputier, S.; Babizhet'sky, V.S.; Pivan, J.Y.","Direct and reverse limiting series of transition metal phosphides with ordered defects and metal/non metal ratio close to 2","Zeitschrift fuer Anorganische und Allgemeine Chemie","2001","627","","1325","1333","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "1531924","14.424","","12.044","","15.04","","90","","90","","90","","2612.79","","","","","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","(Ru (N O) (O H) (N H3)4) (Re O4)2","","- H13 N5 O10 Re2 Ru -","- H13 N5 O10 Re2 Ru -","- H104 N40 O80 Re16 Ru8 -","8","1","","Minacheva, L.Kh.; Kokunova, V.N.; Sergienko, V.S.; Kokunov, Yu.V.","Crystal structure of hydroxonitrosotetraammineruthenium(IV) perrhenate (Ru (N O) (O H) (N H3)4) (Re O4)2","Zhurnal Neorganicheskoi Khimii","2001","46","","1293","1296","","","","","","","","","","","","","","","","","","","","","","has coordinates","186592","2020-10-21","18:00:00","" "1531976","10.961","","11.465","","10.984","","90","","91.27","","90","","1380","","","","","","","","","","","","","2","P 1 21/m 1","-P 2yb","11","","","","- Ho S1.863 -","- Ho S1.86267 -","- Ho24 S44.704 -","24","6","","Podberezskaya, N.V.; Vasil'eva, I.G.; Pervukhina, N.V.; Belaya, S.V.; Borisov, S.V.","Crystal structures of two new holmium polysulfides in the series ofrare-earth polychalcogenides","Zhurnal Strukturnoi Khimii (Issue-No. from 1981)","2001","42","","741","752","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00","" "1531988","12.978","","12.978","","12.978","","90","","90","","90","","2185.86","","","","","","","","","","","","","3","P a -3","-P 2ac 2ab 3","205","","(Hg6 Sb4) (Sb Br6) Br","","- Br7 Hg6 Sb5 -","- Br7 Hg6 Sb5 -","- Br28 Hg24 Sb20 -","4","0.166667","","Olenev, A.V.; Shatruk, M.M.; Popovkin, B.A.; Shevel'kov, A.V.","Synthesis and crystal structure of the supramolecular solid solution (Hg6 Asx Sb4-x) (Sb Br6) Br","Zhurnal Neorganicheskoi Khimii","2001","46","","1615","1618","","","","","","","","","","","","","","","","","","","","","","has coordinates","157599","2020-10-21","18:00:00","" "1531990","12.775","","12.775","","12.775","","90","","90","","90","","2084.89","","","","","","","","","","","","","4","P a -3","-P 2ac 2ab 3","205","","(Hg6 As1.46 Sb2.54) (Sb Br6) Br","","- As1.46 Br7 Hg6 Sb3.54 -","- As1.462 Br7 Hg6 Sb3.538 -","- As5.848 Br28 Hg24 Sb14.152 -","4","0.166667","","Olenev, A.V.; Shatruk, M.M.; Popovkin, B.A.; Shevel'kov, A.V.","Synthesis and crystal structure of the supramolecular solid solution (Hg6 Asx Sb4-x) (Sb Br6) Br","Zhurnal Neorganicheskoi Khimii","2001","46","","1615","1618","","","","","","","","","","","","","","","","","","","","","","has coordinates","157601","2020-10-21","18:00:00","" "1531992","12.704","","12.704","","12.704","","90","","90","","90","","2050.32","","","","","","","","","","","","","4","P a -3","-P 2ac 2ab 3","205","","(Hg6 As2.206 Sb1.794) (Sb Br6) Br","","- As2.206 Br7 Hg6 Sb2.794 -","- As2.206 Br7 Hg6 Sb2.794 -","- As8.824 Br28 Hg24 Sb11.176 -","4","0.166667","","Olenev, A.V.; Shatruk, M.M.; Shevel'kov, A.V.; Popovkin, B.A.","Synthesis and crystal structure of the supramolecular solid solution (Hg6 Asx Sb4-x) (Sb Br6) Br","Zhurnal Neorganicheskoi Khimii","2001","46","","1615","1618","","","","","","","","","","","","","","","","","","","","","","has coordinates","157603","2020-10-21","18:00:00","" "1532016","10.724","","4.447","","4.2392","","90","","90","","90","","202.166","","","","","","","","","","","","","3","P m n 21","P 2ac -2","31","","Sr (B4 O7)","","- B4 O7 Sr -","- B4 O7 Sr -","- B8 O14 Sr2 -","2","0.5","","Pan, F.; Wang, R.-J.; Wei, J.-Z.; Shen, G.-Q.; Wang, X.-Q.; Shen, D.-Z.","The crystal structure and NLO property of strontium tetraborate Sr B4 O7","Gaodeng Xuexiao Huaxue Xuebao","2001","22","","154","158","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "1532018","5.5208","","9.0759","","5.4758","","90","","113.485","","90","","251.644","","","","","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","Li2 (Zr O3)","","- Li2 O3 Zr -","- Li1.83 O3 Zr -","- Li7.32 O12 Zr4 -","4","0.5","","Pantyukhina, M.I.; Zubkov, V.G.; Andreev, O.L.; Batalov, N.N.; Tyutyunnik, A.P.","High-temperature X-ray and neutron study of lithium metazirconate","Zhurnal Neorganicheskoi Khimii","2001","46","","1716","1723","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "1532066","3.807","","3.807","","6.352","","90","","90","","120","","79.727","","","","","","","","","","","","","4","P -3 m 1","-P 3 2""","164","","Li Cu Fe S2","","- Cu Fe Li S2 -","- Cu Fe Li S2 -","- Cu Fe Li S2 -","1","0.0833333","","Ramirez, R.; Mujica, C.; Buljan, A.; Llanos, J.","A family of new compounds derived from chalcopyrite. Common patterns in their electronic and crystal structures","Boletin de la Sociedad Chilena de Quimica","2001","46","","235","245","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "1532068","3.863","","3.863","","6.873","","90","","90","","120","","88.823","","","","","","","","","","","","","4","P -3 m 1","-P 3 2""","164","","Na Cu Fe S2","","- Cu Fe Na S2 -","- Cu Fe Na S2 -","- Cu Fe Na S2 -","1","0.0833333","","Ramirez, R.; Mujica, C.; Buljan, A.; Llanos, J.","A family of new compounds derived from chalcopyrite. Common patterns in their electronic and crystal structures","Boletin de la Sociedad Chilena de Quimica","2001","46","","235","245","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "1532071","3.837","","3.837","","13.384","","90","","90","","90","","197.047","","","","","","","","","","","","","4","I 4/m m m","-I 4 2","139","","K Cu Fe S2","","- Cu Fe K S2 -","- Cu Fe K S2 -","- Cu2 Fe2 K2 S4 -","2","0.0625","","Ramirez, R.; Mujica, C.; Llanos, J.; Buljan, A.","A family of new compounds derived from chalcopyrite. Common patterns in their electronic and crystal structures","Boletin de la Sociedad Chilena de Quimica","2001","46","","235","245","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "1532073","3.942","","3.942","","14.238","","90","","90","","90","","221.249","","","","","","","","","","","","","4","I 4/m m m","-I 4 2","139","","","","- Cs Cu Fe S2 -","- Cs Cu Fe S2 -","- Cs2 Cu2 Fe2 S4 -","2","0.0625","","Ramirez, R.; Mujica, C.; Buljan, A.; Llanos, J.","A family of new compounds derived from chalcopyrite. Common patterns in their electronic and crystal structures","Boletin de la Sociedad Chilena de Quimica","2001","46","","235","245","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00","" "1532076","10.379","","10.379","","10.379","","90","","90","","90","","1118.06","","","","","","","","","","","","","4","P m -3 m","-P 4 2 3","221","","","","- Ba6 Cu12 Fe13 S27 -","- Ba6 Cu12 Fe13 S27 -","- Ba6 Cu12 Fe13 S27 -","1","0.0208333","","Ramirez, R.; Mujica, C.; Buljan, A.; Llanos, J.","A family of new compounds derived from chalcopyrite. Common patterns in their electronic and crystal structures","Boletin de la Sociedad Chilena de Quimica","2001","46","","235","245","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00","" "1532114","10.289","","9.234","","11.015","","90","","108.5","","90","","992.44","","","","","","","","","","","","","8","P 1 2/n 1","-P 2yac","13","","(Y0.33 Nd0.23 Ce0.44) Al (S O4)2 (C2 O4) (H2 O)12","","- C2 H24 Al Ce0.44 Nd0.23 O24 S2 Y0.33 -","- C2 H24 Al Ce0.44 Nd0.23 O24 S2 Y0.33 -","- C4 H48 Al2 Ce0.88 Nd0.46 O48 S4 Y0.66 -","2","0.5","","Rouse, R.C.; Peacor, D.R.; Essene, E.J.; Coskren, T.D.; Lauf, R.J.","The new minerals levinsonite-(Y), ((Y, Nd, Ce) Al (S O4)2 (C2 O4) * 12(H2 O)) and zugshunstite-(Ce), ((Ce, Nd, la) Al (S O4)2 (C2 O4) * 12(H2 O)): coexisting oxalates with different structures and differentiation of LREE and HREE","Geochimica et Cosmochimica Acta","2001","65","","1101","1115","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "1532115","8.718","","18.313","","13.128","","90","","93.9","","90","","2091.07","","","","","","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","(Ce0.54 Nd0.26 La0.20) Al (S O4)2 (C2 O4) (H2 O)12","","- C2 H24 Al Ce0.54 La0.2 Nd0.26 O24 S2 -","- C2 H24 Al Ce0.54 La0.2 Nd0.26 O24 S2 -","- C8 H96 Al4 Ce2.16 La0.8 Nd1.04 O96 S8 -","4","0.5","","Rouse, R.C.; Peacor, D.R.; Essene, E.J.; Lauf, R.J.; Coskren, T.D.","The new minerals levinsonite-(Y), ((Y, Nd, Ce) Al (S O4)2 (C2 O4) *12(H2 O)) and zugshunstite-(Ce), ((Ce, Nd, la) Al (S O4)2 (C2 O4) *12(H2 O)): coexisting oxalates with different structures and differentiation of LREE and HREE","Geochimica et Cosmochimica Acta","2001","65","","1101","1115","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "1532122","12.165","","12.165","","12.165","","90","","90","","90","","1800.27","","","","","","","","","","","","","6","P a -3","-P 2ac 2ab 3","205","","K (Al0.95 Cr0.05) (S O4)2 (H2 O)12","","- Al0.95 Cr0.05 H24 K O20 S2 -","- Al0.95 Cr0.05 H24 K O20 S2 -","- Al3.8 Cr0.2 H96 K4 O80 S8 -","4","0.166667","","Rozhdestvenskaya, I.V.; Frank-Kamenetskaya, O.V.; Bannova, I.I.; Shtukenberg, A.G.","Triclinic structure of birefringent crystals of K (Al0.95 Cr0.05) (S O4)2 * 12(H2 O)","Zhurnal Strukturnoi Khimii (Issue-No. from 1981)","2001","42","","753","765","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "1532123","12.165","","12.165","","12.165","","90","","90","","90","","1800.27","","","","","","","","","","","","","6","P -1","-P 1","2","","K (Al0.95 Cr0.05) (S O4)2 (H2 O)12","","- Al0.95 Cr0.05 H24 K O19.655 S2 -","- Al0.95 Cr0.05 H24 K O19.655 S2 -","- Al3.8 Cr0.2 H96 K4 O78.62 S8 -","4","2","","Rozhdestvenskaya, I.V.; Frank-Kamenetskaya, O.V.; Bannova, I.I.; Shtukenberg, A.G.","Triclinic structure of birefringent crystals of K (Al0.95 Cr0.05) (S O4)2 * 12(H2 O)","Zhurnal Strukturnoi Khimii (Issue-No. from 1981)","2001","42","","753","765","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "1532150","8.9214","","6.9194","","6.4517","","90","","106.166","","90","","382.52","","","","","","","","","","","","","5","C 1 2/m 1","-C 2y","12","","Na Er F (P O4)","","- Er F Na O4 P -","- Er F Na O4 P -","- Er4 F4 Na4 O16 P4 -","4","0.5","","Strelkov, M.A.; Zhizhin, M.G.; Spiridonov, F.M.; Bobylev, A.P.; Komissarova, L.N.","Synthesis and properties of erbium sodium fluoride phosphates","Zhurnal Neorganicheskoi Khimii","2001","46","","1629","1634","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "1532151","10.845","","10.112","","8.95","","67.52","","83.1","","78.11","","886.531","","","","","","","","","","","","","6","P -1","-P 1","2","","(H3 O) (Ce (H2 O)4) (W (C N)8) (H2 O)2","","- C8 H15 Ce N8 O7 W -","- C8 Ce N8 O7 W -","- C16 Ce2 N16 O14 W2 -","2","1","","Saramaga, I.V.; Davidov, V.M.; Semenishin, D.I.; Dovgei, V.V.","The synthesis and crystal structure of cerium hydroxonium octacyanotungstate(IV) (H3 O) Ce (H2 O)4 (W (C N)8) * 2(H2 O)","Ukrains'kii Khimicheskii Zhurnal (Russian Edition)","2001","67","","14","18","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "1532162","4.0013","","4.0013","","6.962","","90","","90","","90","","111.464","","","","","","","","","","","","","3","P 4/n m m :2","-P 4a 2a","129","","","","- Ce F S -","- Ce F S -","- Ce2 F2 S2 -","2","0.125","","Schleid, T.; Grossholz, H.","Ueber Fluoridsulfide (M F S) der Lanthanide (M = La - Nd, Gd - Lu) im A-Typ mit (Pb F Cl)-Struktur","Zeitschrift fuer Anorganische und Allgemeine Chemie","2001","627","","2693","2699","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00","" "1532164","3.9627","","3.9627","","6.9273","","90","","90","","90","","108.779","","","","","","","","","","","","","3","P 4/n m m :2","-P 4a 2a","129","","Pr F S","","- F Pr S -","- F Pr S -","- F2 Pr2 S2 -","2","0.125","","Schleid, T.; Grossholz, H.","Ueber Fluoridsulfide (M F S) der Lanthanide (M = La - Nd, Gd - Lu) im A-Typ mit (Pb F Cl)-Struktur","Zeitschrift fuer Anorganische und Allgemeine Chemie","2001","627","","2693","2699","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "1532166","3.9389","","3.9389","","6.9158","","90","","90","","90","","107.298","","","","","","","","","","","","","3","P 4/n m m :2","-P 4a 2a","129","","Nd F S","","- F Nd S -","- F Nd S -","- F2 Nd2 S2 -","2","0.125","","Schleid, T.; Grossholz, H.","Ueber Fluoridsulfide (M F S) der Lanthanide (M = La - Nd, Gd - Lu) im A-Typ mit (Pb F Cl)-Struktur","Zeitschrift fuer Anorganische und Allgemeine Chemie","2001","627","","2693","2699","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "1532167","3.8836","","3.8836","","6.8795","","90","","90","","90","","103.759","","","","","","","","","","","","","3","P 4/n m m :2","-P 4a 2a","129","","Sm F S","","- F S Sm -","- F S Sm -","- F2 S2 Sm2 -","2","0.125","","Schleid, T.; Grossholz, H.","Ueber Fluoridsulfide (M F S) der Lanthanide (M = La - Nd, Gd - Lu) im A-Typ mit (Pb F Cl)-Struktur","Zeitschrift fuer Anorganische und Allgemeine Chemie","2001","627","","2693","2699","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "1532169","3.8102","","3.8102","","6.8386","","90","","90","","90","","99.28","","","","","","","","","","","","","3","P 4/n m m :2","-P 4a 2a","129","","Tb F S","","- F S Tb -","- F S Tb -","- F2 S2 Tb2 -","2","0.125","","Schleid, T.; Grossholz, H.","Ueber Fluoridsulfide (M F S) der Lanthanide (M = La - Nd, Gd - Lu) im A-Typ mit (Pb F Cl)-Struktur","Zeitschrift fuer Anorganische und Allgemeine Chemie","2001","627","","2693","2699","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "1532171","3.7648","","3.7648","","6.8192","","90","","90","","90","","96.653","","","","","","","","","","","","","3","P 4/n m m :2","-P 4a 2a","129","","Ho F S","","- F Ho S -","- F Ho S -","- F2 Ho2 S2 -","2","0.125","","Schleid, T.; Grossholz, H.","Ueber Fluoridsulfide (M F S) der Lanthanide (M = La - Nd, Gd - Lu) im A-Typ mit (Pb F Cl)-Struktur","Zeitschrift fuer Anorganische und Allgemeine Chemie","2001","627","","2693","2699","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "1532174","3.7461","","3.7461","","6.8134","","90","","90","","90","","95.614","","","","","","","","","","","","","3","P 4/n m m :2","-P 4a 2a","129","","","","- Er F S -","- Er F S -","- Er2 F2 S2 -","2","0.125","","Schleid, T.; Grossholz, H.","Ueber Fluoridsulfide (M F S) der Lanthanide (M = La - Nd, Gd - Lu) im A-Typ mit (Pb F Cl)-Struktur","Zeitschrift fuer Anorganische und Allgemeine Chemie","2001","627","","2693","2699","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00","" "1532177","4.6106","","4.6106","","7.6954","","90","","90","","120","","141.67","","","","","","","","","","","","","3","P -3 m 1","-P 3 2""","164","","","","- Nd2 S2 Te -","- Nd2 S2 Te -","- Nd2 S2 Te -","1","0.0833333","","Schleid, T.; Klein, E.K.","Nd2 S2 Te: Neodymium(III) sulfide telluride with (Ce2 O2 S)-type crystal structure","Zeitschrift fuer Anorganische und Allgemeine Chemie","2001","627","","807","808","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00","" "1532182","8.121","","8.121","","8.121","","90","","90","","90","","535.585","","","","","","","","","","","","","3","F m -3 m","-F 4 2 3","225","","V (Zr F6)","","- F6 V Zr -","- F6 V Zr -","- F24 V4 Zr4 -","4","0.0208333","","Schmidt, R.; Kraus, M.; Mueller, B.G.","Neue Fluorozirconate und -hafnate mit V(2+) und Ti(2+)","Zeitschrift fuer Anorganische und Allgemeine Chemie","2001","627","","2344","2350","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "1532184","8.042","","8.042","","8.042","","90","","90","","90","","520.106","","","","","","","","","","","","","3","F m -3 m","-F 4 2 3","225","","V (Hf F6)","","- F6 Hf V -","- F6 Hf V -","- F24 Hf4 V4 -","4","0.0208333","","Schmidt, R.; Mueller, B.G.; Kraus, M.","Neue Fluorozirconate und -hafnate mit V(2+) und Ti(2+)","Zeitschrift fuer Anorganische und Allgemeine Chemie","2001","627","","2344","2350","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "1532187","8.21","","8.21","","8.21","","90","","90","","90","","553.388","","","","","","","","","","","","","3","F m -3 m","-F 4 2 3","225","","Ti (Zr F6)","","- F6 Ti Zr -","- F6 Ti Zr -","- F24 Ti4 Zr4 -","4","0.0208333","","Schmidt, R.; Kraus, M.; Mueller, B.G.","Neue Fluorozirconate und -hafnate mit V(2+) und Ti(2+)","Zeitschrift fuer Anorganische und Allgemeine Chemie","2001","627","","2344","2350","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "1532190","3.923","","3.923","","3.923","","90","","90","","90","","60.375","","","","","","","","","","","","","3","P m -3 m","-P 4 2 3","221","","Ti0.5 Hf0.5 F3","","- F3 Hf0.5 Ti0.5 -","- F3 Hf0.5 Ti0.5 -","- F3 Hf0.5 Ti0.5 -","1","0.0208333","","Schmidt, R.; Kraus, M.; Mueller, B.G.","Neue Fluorozirconate und -hafnate mit V(2+) und Ti(2+)","Zeitschrift fuer Anorganische und Allgemeine Chemie","2001","627","","2344","2350","","","","","","","","","","","","","","","","","","","","","","has coordinates","157852","2020-10-21","18:00:00","" "1532193","11.098","","7.88","","6.48","","90","","90","","90","","566.691","","","","","","","","","","","","","4","P n n a","-P 2a 2bc","52","","K (V Zr F7)","","- F7 K V Zr -","- F7 K V Zr -","- F28 K4 V4 Zr4 -","4","0.5","","Schmidt, R.; Kraus, M.; Mueller, B.G.","Neue Fluorozirconate und -hafnate mit V(2+) und Ti(2+)","Zeitschrift fuer Anorganische und Allgemeine Chemie","2001","627","","2344","2350","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "1532195","3.2138","","3.2138","","7.8299","","90","","90","","90","","80.871","","","","","","","","","","","","","2","I 4/m m m","-I 4 2","139","","W Si2","","- Si2 W -","- Si2 W -","- Si4 W2 -","2","0.0625","","Tanaka, K.; Yamaguchi, M.; Nawata, K.; Inui, H.; Koiwa, M.","Refinement of crystallographic parameters in refractory metal disilicides","Materials Research Society Symposia Proceedings","2001","646","","N4.3.1","N4.3.5","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "1532196","9.177","","6.857","","7.524","","90","","118.28","","90","","416.949","","","","","","","","","","","","","4","C 1 2/m 1","-C 2y","12","","Na (Ti Hf2 F11)","","- F11 Hf2 Na Ti -","- F11 Hf2 Na Ti -","- F22 Hf4 Na2 Ti2 -","2","0.25","","Schmidt, R.; Kraus, M.; Mueller, B.G.","Neue Fluorozirconate und -hafnate mit V(2+) und Ti(2+)","Zeitschrift fuer Anorganische und Allgemeine Chemie","2001","627","","2344","2350","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "1532198","4.5726","","4.5726","","6.3744","","90","","90","","120","","115.424","","","","","","","","","","","","","2","P 64 2 2","P 64 2 (0 0 2)","181","","V Si2","","- Si2 V -","- Si2 V -","- Si6 V3 -","3","0.25","","Tanaka, K.; Nawata, K.; Yamaguchi, M.; Inui, H.; Koiwa, M.","Refinement of crystallographic parameters in refractory metal disilicides","Materials Research Society Symposia Proceedings","2001","646","","N4.3.1","N4.3.5","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "1532199","9.105","","6.759","","7.736","","90","","116.1","","90","","427.532","","","","","","","","","","","","","4","C 1 2/m 1","-C 2y","12","","Na (V Hf2 F11)","","- F11 Hf2 Na V -","- F11 Hf2 Na V -","- F22 Hf4 Na2 V2 -","2","0.25","","Schmidt, R.; Kraus, M.; Mueller, B.G.","Neue Fluorozirconate und -hafnate mit V(2+) und Ti(2+)","Zeitschrift fuer Anorganische und Allgemeine Chemie","2001","627","","2344","2350","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "1532201","4.4283","","4.4283","","6.368","","90","","90","","120","","108.145","","","","","","","","","","","","","2","P 64 2 2","P 64 2 (0 0 2)","181","","","","- Cr Si2 -","- Cr Si2 -","- Cr3 Si6 -","3","0.25","","Tanaka, K.; Nawata, K.; Koiwa, M.; Yamaguchi, M.; Inui, H.","Refinement of crystallographic parameters in refractory metal disilicides","Materials Research Society Symposia Proceedings","2001","646","","N4.3.1","N4.3.5","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00","" "1532204","4.7974","","4.7974","","6.5923","","90","","90","","120","","131.395","","","","","","","","","","","","","2","P 62 2 2","P 62 2 (0 0 4)","180","","","","- Nb Si2 -","- Nb Si2 -","- Nb3 Si6 -","3","0.25","","Tanaka, K.; Nawata, K.; Koiwa, M.; Inui, H.; Yamaguchi, M.","Refinement of crystallographic parameters in refractory metal disilicides","Materials Research Society Symposia Proceedings","2001","646","","N4.3.1","N4.3.5","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00","" "1532207","4.7839","","4.7839","","6.57","","90","","90","","120","","130.215","","","","","","","","","","","","","2","P 64 2 2","P 64 2 (0 0 2)","181","","Ta Si2","","- Si2 Ta -","- Si2 Ta -","- Si6 Ta3 -","3","0.25","","Tanaka, K.; Nawata, K.; Koiwa, M.; Inui, H.; Yamaguchi, M.","Refinement of crystallographic parameters in refractory metal disilicides","Materials Research Society Symposia Proceedings","2001","646","","N4.3.1","N4.3.5","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "1532210","8.268","","4.8002","","8.5521","","90","","90","","90","","339.416","","","","","","","","","","","","","2","F d d d :1","F 2 2 -1d","70","","Ti Si2","","- Si2 Ti -","- Si2 Ti -","- Si16 Ti8 -","8","0.25","","Tanaka, K.; Nawata, K.; Koiwa, M.; Yamaguchi, M.; Inui, H.","Refinement of crystallographic parameters in refractory metal disilicides","Materials Research Society Symposia Proceedings","2001","646","","N4.3.1","N4.3.5","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "1532215","5.4619","","12.6797","","5.4555","","90","","90","","90","","377.822","","","","","","","","","","","","","3","C m c a","-C 2ac 2","64","","","","- La2 Ni O3.92 -","- La2 Ni O3.92 -","- La8 Ni4 O15.68 -","4","","","Voronin, V.I.; Berger, I.F.; Cherepanov, V.A.; Petrov, A.N.; Gavrilova, L.Ya.; Ancharov, A.I.; Nikitenko, S.G.; Tolochko, B.P.","Neutron diffraction, synchrotron radiation and EXAFS spectroscopy study of crystal structure peculiarities of the lanthanum nickelates Lan+1 Nin Oy (n = 1, 2, 3)","Nuclear Instruments & Methods in Physics Research A","2001","470","","202","209","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00","" "1532217","20.502","","5.4494","","5.3981","","90","","90","","90","","603.095","","","","","","","","","","","","","3","C m c m","-C 2c 2","63","","","","- La3 Ni2 O6.84 -","- La3 Ni2 O6.84 -","- La12 Ni8 O27.36 -","4","0.25","","Voronin, V.I.; Cherepanov, V.A.; Berger, I.F.; Gavrilova, L.Ya.; Tolochko, B.P.; Nikitenko, S.G.; Ancharov, A.I.; Petrov, A.N.","Neutron diffraction, synchrotron radiation and EXAFS spectroscopy study of crystal structure peculiarities of the lanthanum nickelates Lan+1 Nin Oy (n = 1, 2, 3)","Nuclear Instruments & Methods in Physics Research A","2001","470","","202","209","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00","" "1532218","5.413","","28.033","","5.441","","90","","90","","90","","825.632","","","","","","","","","","","","","3","C m c a","-C 2ac 2","64","","","","- La4 Ni3 O10 -","- La4 Ni3 O10 -","- La16 Ni12 O40 -","4","","","Voronin, V.I.; Berger, I.F.; Cherepanov, V.A.; Gavrilova, L.Ya.; Petrov, A.N.; Ancharov, A.I.; Tolochko, B.P.; Nikitenko, S.G.","Neutron diffraction, synchrotron radiation and EXAFS spectroscopy study of crystal structure peculiarities of the lanthanum nickelates Lan+1 Nin Oy (n = 1, 2, 3)","Nuclear Instruments & Methods in Physics Research A","2001","470","","202","209","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00","" "1532257","12.4073","","5.1121","","16.0584","","90","","106.142","","90","","978.387","","","","","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","Ho2 (Te4 O11)","","- Ho2 O11 Te4 -","- Ho2 O11 Te4 -","- Ho8 O44 Te16 -","4","0.5","","Weber, F.A.; Schleid, T.; Meier, S.E.","Ho2 Te4 O11 und Ho2 Te5 O13: zwei tellurdioxidreiche Oxotellurate(IV) des dreiwertigen Holmiums","Zeitschrift fuer Anorganische und Allgemeine Chemie","2001","627","","2225","2231","","","","","","","","","","","","","","","","","","","","","","has coordinates","157939","2020-10-21","18:00:00","" "1532259","6.9567","","8.6264","","10.5752","","89.057","","86.825","","75.056","","612.224","","","","","","","","","","","","","3","P -1","-P 1","2","","Ho2 (Te5 O13)","","- Ho2 O13 Te5 -","- Ho2 O13 Te5 -","- Ho4 O26 Te10 -","2","1","","Weber, F.A.; Meier, S.E.; Schleid, T.","Ho2 Te4 O11 und Ho2 Te5 O13: zwei tellurdioxidreiche Oxotellurate(IV)des dreiwertigen Holmiums","Zeitschrift fuer Anorganische und Allgemeine Chemie","2001","627","","2225","2231","","","","","","","","","","","","","","","","","","","","","","has coordinates","157942","2020-10-21","18:00:00","" "1532260","8.408","","5.017","","11.94","","90","","98.42","","90","","498.235","","","","","","","","","","","","","3","P 1 2/c 1","-P 2yc","13","","Pb2 V5 O12","","- O12 Pb2 V5 -","- O12 Pb2 V5 -","- O24 Pb4 V10 -","2","0.5","","Shpanchenko, R.V.; Chernaya, V.V.; Abakumov, A.M.; Hadermann, J.; Antipov, E.V.; van Tendeloo, G.; Kaul, E.E.; Geibel, C.; Sheptyakov, D.; Balagurov, A.M.","Crystal structure and magnetic properties of the novel oxide Pb2 V5 O12","Zeitschrift fuer Anorganische und Allgemeine Chemie","2001","627","","2143","2150","","","","","","","","","","","","","","","","","","","","","","has coordinates","157943","2020-10-21","18:00:00","" "1532261","8.8205","","7.3289","","7.3294","","90","","100.288","","90","","466.188","","","","","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","Pr2 O Se2","","- O Pr2 Se2 -","- O Pr2 Se2 -","- O4 Pr8 Se8 -","4","1","","Weber, F.A.; Schleid, T.","Vier Oxidselenide des Praseodyms: Pr10 O Se14, Pr2 O Se2, Pr2 O2 Seund Pr4 O4 Se3","Zeitschrift fuer Anorganische und Allgemeine Chemie","2001","627","","1383","1388","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "1532264","4.0112","","4.0112","","7.0551","","90","","90","","120","","98.307","","","","","","","","","","","","","3","P -3 m 1","-P 3 2""","164","","Pr2 O2 Se","","- O2 Pr2 Se -","- O2 Pr2 Se -","- O2 Pr2 Se -","1","0.0833333","","Weber, F.A.; Schleid, T.","Vier Oxidselenide des Praseodyms: Pr10 O Se14, Pr2 O Se2, Pr2 O2 Se und Pr4 O4 Se3","Zeitschrift fuer Anorganische und Allgemeine Chemie","2001","627","","1383","1388","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "1532276","5.3374","","5.4247","","7.57402","","90","","90","","90","","219.297","","","","","","","","","","","","","3","P b n m","-P 2c 2ab","62","","Sm (Ni O3)","","- Ni O3 Sm -","- Ni O3 Sm -","- Ni4 O12 Sm4 -","4","0.5","","Weller, M.T.; Henry, P.F.; Wilson, C.C.","Isotopes in neutron diffraction - detailed structural analysis at the metal - insulator transition in Sm Ni O3","Materials Research Society Symposia Proceedings","2001","658","","GG3.31.1","GG3.31.7","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "1532292","13.115","","18.992","","17.926","","90","","93.67","","90","","4455.85","","","","","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","C60 (Ti Cl4)3","","- C60 Cl12 Ti3 -","- C60 Cl12 Ti3 -","- C240 Cl48 Ti12 -","4","1","","Troyanov, S.I.; Kemnitz, E.","Structure of fullerene C60 in the crystalline adduct (C60) * 3(Ti Cl4)","Zhurnal Neorganicheskoi Khimii","2001","46","","1704","1709","","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00","" "1532294","20.567","","6.177","","8.257","","90","","109.18","","90","","990.761","","","","","","","","","","","","","5","C 1 2 1","C 2y","5","","(K3 (S O4) (H S O4)) (H F)2","","- F2 H3 K3 O8 S2 -","- F2 H3 K3 O8 S2 -","- F8 H12 K12 O32 S8 -","4","1","","Troyanov, S.I.; Kosterina, E.V.; Kemnitz, E.","Synthesis and crystal structure of adducts of alkali metal salts and (H F) -(K3 (S O4) (H S O4)) * 2(H F), (Cs H2 P O3) * (H F) and Cs4 (Se O4) (H Se O4)2 * (H F) with F - H...O type hydrogen bonds","Zhurnal Neorganicheskoi Khimii","2001","46","","1496","1502","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "1532295","12.3489","","7.6648","","6.2251","","90","","90","","90","","589.217","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","Rb3 Co O2","","- Co O2 Rb3 -","- Co O2 Rb3 -","- Co4 O8 Rb12 -","4","0.5","","Sofin, M.; Jansen, M.","Rb3 Co O2, a novel oxocobaltate(I) synthesized via the azide/nitrate route","Zeitschrift fuer Anorganische und Allgemeine Chemie","2001","627","","2115","2117","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "1532297","5.581","","4.863","","18.4","","90","","92.09","","90","","499.051","","","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(Cs (H2 P O3)) (H F)","","- Cs F H3 O3 P -","- Cs F H3 O3 P -","- Cs4 F4 H12 O12 P4 -","4","1","","Troyanov, S.I.; Kosterina, E.V.; Kemnitz, E.","Synthesis and crystal structure of adducts of alkali metal salts and (H F) -(K3 (S O4) (H S O4)) * 2(H F), (Cs H2 P O3) * (H F) and Cs4 (Se O4) (H Se O4)2 * (H F) with F - H...O type hydrogen bonds","Zhurnal Neorganicheskoi Khimii","2001","46","","1496","1502","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "1532299","25.413","","12.718","","10.819","","90","","107.57","","90","","3333.6","","","","","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","(Cs4 (Se O4) (H Se O4)2) (H F)","","- Cs4 F H3 O12 Se3 -","- Cs4 F H3 O12 Se3 -","- Cs32 F8 H24 O96 Se24 -","8","1","","Troyanov, S.I.; Kosterina, E.V.; Kemnitz, E.","Synthesis and crystal structure of adducts of alkali metal salts and (H F) -(K3 (S O4) (H S O4)) * 2(H F), (Cs H2 P O3) * (H F) and Cs4 (Se O4) (H Se O4)2 * (H F) with F - H...O type hydrogen bonds","Zhurnal Neorganicheskoi Khimii","2001","46","","1496","1502","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "1532302","9.793","","6.608","","8.157","","90","","91.58","","90","","527.656","","","","","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","Eu (S C N)2","","- C2 Eu N2 S2 -","- C2 Eu N2 S2 -","- C8 Eu4 N8 S8 -","4","0.5","","Wickleder, C.","M (S C N)2 (M = Eu, Sr, Ba): Kristallstruktur, thermisches Verhalten, Schwingungsspektroskopie","Zeitschrift fuer Anorganische und Allgemeine Chemie","2001","627","","1693","1698","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "1532305","9.855","","6.629","","8.196","","90","","91.29","","90","","535.299","","","","","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","Sr (S C N)2","","- C2 N2 S2 Sr -","- C2 N2 S2 Sr -","- C8 N8 S8 Sr4 -","4","0.5","","Wickleder, C.","M (S C N)2 (M = Eu, Sr, Ba): Kristallstruktur, thermisches Verhalten, Schwingungsspektroskopie","Zeitschrift fuer Anorganische und Allgemeine Chemie","2001","627","","1693","1698","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "1532307","10.188","","6.872","","8.522","","90","","92.43","","90","","596.105","","","","","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","Ba (S C N)2","","- C2 Ba N2 S2 -","- C2 Ba N2 S2 -","- C8 Ba4 N8 S8 -","4","0.5","","Wickleder, C.","M (S C N)2 (M = Eu, Sr, Ba): Kristallstruktur, thermisches Verhalten, Schwingungsspektroskopie","Zeitschrift fuer Anorganische und Allgemeine Chemie","2001","627","","1693","1698","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "1532312","6.303","","8.285","","11.574","","90","","103.85","","90","","586.826","","","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Na (O C (N H) N C (N O2) N) (H2 O)","","- C2 H3 N4 Na O4 -","- C2 N4 Na O4 -","- C8 N16 Na4 O16 -","4","1","","Song, J.-R.; Ma, H.-X.; Hu, R.-Z.; Dong, W.; Sun, X.-H.; Yu, K.-B.","Preparation, crystal structure and thermodynamical properties of Na(N T O) (H2 O)","Hua Hsueh Hsueh Pao","2001","59","","1946","1951","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "1532314","16.308","","16.308","","15.418","","90","","90","","90","","4100.43","","","","","","","","","","","","","6","I 4/m","-I 4","87","","Na16 (Fe (C N)5 C O)4 (Fe (C N)6) (H2 O)32","","- C30 H64 Fe5 N26 Na16 O36 -","- C30 Fe5 N26 Na16 O36 -","- C60 Fe10 N52 Na32 O72 -","2","0.125","","Soria, D. B.; Piro, O. E.; Varetti, E. L.; Aymonino, P. J.","X-ray diffraction and DFT structures of the pentacyanocarbonylferrate(3-) ion","Journal of Chemical Crystallography","2001","31","11-12","471","477","10.1023/A:1015659014622","","","","","","","","","","","","","","","","","","","","","has coordinates","174914","2020-10-21","18:00:00","" "1532370","3.8608","","3.8608","","20.2634","","90","","90","","90","","302.042","","","","","","","","","","","","","4","I 4/m m m","-I 4 2","139","","(La1.39 Sr1.61) (Mn2 O7)","","- La1.39 Mn2 O7 Sr1.61 -","- La1.39 Mn2 O7 Sr1.61 -","- La2.78 Mn4 O14 Sr3.22 -","2","0.0625","","Wu, S.Y.; Li, W.-H.; Lee, K.C.; Yang, H.D.","Crystal structure and magnetic order in bilayered La1.39 Sr1.61 Mn2 O7","Materials Science and Engineering B","2001","84","","211","216","","","","","","","","","","","","","","","","","","","","","","has coordinates","158076","2020-10-21","18:00:00","" "1532374","9.013","","9.013","","3.59","","90","","90","","120","","252.56","","","","","","","","","","","","","3","P -6","P -6","174","","Sc2 Ni12 P7","","- Ni12 P7 Sc2 -","- Ni12 P7 Sc2 -","- Ni12 P7 Sc2 -","1","0.166667","","Wurth, A.; Keimes, V.; Johrendt, D.; Mewis, A.","Neue ternaere Phosphide und Arsenide mit einem Metall:Nichtmetall-Verhaeltnis im Bereich von 2:1","Zeitschrift fuer Anorganische und Allgemeine Chemie","2001","627","","2183","2190","","","","","","","","","","","","","","","","","","","","","","has coordinates","158080","2020-10-21","18:00:00","" "1532375","10.04","","10.04","","4.1","","90","","90","","120","","357.917","","","","","","","","","","","","","3","P 63/m","-P 6c","176","","Eu2 Pd12 As7","","- As7 Eu2 Pd12 -","- As7 Eu2 Pd12 -","- As7 Eu2 Pd12 -","1","0.0833333","","Wurth, A.; Keimes, V.; Mewis, A.; Johrendt, D.","Neue ternaere Phosphide und Arsenide mit einem Metall:Nichtmetall-Verhaeltnis im Bereich von 2:1","Zeitschrift fuer Anorganische und Allgemeine Chemie","2001","627","","2183","2190","","","","","","","","","","","","","","","","","","","","","","has coordinates","158081","2020-10-21","18:00:00","" "1532376","9.626","","9.626","","3.844","","90","","90","","120","","308.465","","","","","","","","","","","","","3","P 63/m","-P 6c","176","","Sr2 Rh12 P7","","- P7 Rh12 Sr2 -","- P7 Rh12 Sr2 -","- P7 Rh12 Sr2 -","1","0.0833333","","Wurth, A.; Keimes, V.; Johrendt, D.; Mewis, A.","Neue ternaere Phosphide und Arsenide mit einem Metall:Nichtmetall-Verhaeltnis im Bereich von 2:1","Zeitschrift fuer Anorganische und Allgemeine Chemie","2001","627","","2183","2190","","","","","","","","","","","","","","","","","","","","","","has coordinates","158082","2020-10-21","18:00:00","" "1532377","3.703","","9.209","","10.378","","90","","90","","90","","353.899","","","","","","","","","","","","","3","P m n 21","P 2ac -2","31","","","","- Ca2 Ni7 P4 -","- Ca2 Ni7 P4 -","- Ca4 Ni14 P8 -","2","0.5","","Wurth, A.; Keimes, V.; Johrendt, D.; Mewis, A.","Neue ternaere Phosphide und Arsenide mit einem Metall:Nichtmetall-Verhaeltnis im Bereich von 2:1","Zeitschrift fuer Anorganische und Allgemeine Chemie","2001","627","","2183","2190","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00","" "1532445","3.974","","3.974","","5.506","","90","","90","","90","","86.954","","","","","","","","","","","","","3","I -4 m 2","I -4 -2","119","","","","- Cu0.24 Ga1.61 Se2 -","- Cu0.24 Ga1.61 Se2 -","- Cu0.24 Ga1.61 Se2 -","1","0.0625","","Zmii, O.F.; Kadykalo, E.M.; Strok, O.M.; Olekseyuk, I.D.","The crystal structure of the Cu0.24 Ga1.61 (vac)0.15 Se2 phase","Ukrains'kii Khimicheskii Zhurnal (Russian Edition)","2001","67","","33","35","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00","" "1532450","10.0431","","10.0431","","2.5946","","90","","90","","120","","226.64","","","","","","","","","","","","","3","R -3 m :H","-R 3 2""","166","","(Ba8 Co Rh6 O21)0.1429","","- Co0.1429 O3 Rh0.8571 -","- Co0.1429 O3 Rh0.8571 -","- Co0.4287 O9 Rh2.5713 -","3","0.0833333","","zur Loye, H.C.; Smith, M.D.; Stitzer, K.E.","Structure determination of Ba8 Co Rh6 O21, a new member of the 2H-perovskite related oxides","Materials Research Society Symposia Proceedings","2001","658","","GG1.4.1","GG1.4.7","","","","","","","","","","","","","","","","","","","","","","has coordinates","158166","2020-10-21","18:00:00","" "1532451","10.0431","","10.0431","","4.5405","","90","","90","","120","","396.616","","","","","","","","","","","","","1","P -3 c 1","-P 3 2""c","165","","(Ba8 Co Rh6 O21)0.1429","","- Ba1.14 -","- Ba1.14 -","- Ba6.84 -","6","0.5","","zur Loye, H.C.; Smith, M.D.; Stitzer, K.E.","Structure determination of Ba8 Co Rh6 O21, a new member of the 2H-perovskite related oxides","Materials Research Society Symposia Proceedings","2001","658","","GG1.4.1","GG1.4.7","","","","","","","","","","","","","","","","","","","","","","has coordinates","158167","2020-10-21","18:00:00","" "1532588","24.6336","","24.6336","","24.6336","","90","","90","","90","","14948","","","","","","","","","","","","","5","F 2 3","F 2 2 3","196","","Rb100.64 K30.92 (Al96 Si96 O384)","","- Al96 K30.92 O384 Rb100.64 Si96 -","- Al96 K30.904 O384 Rb100.656 Si96 -","- Al96 K30.904 O384 Rb100.656 Si96 -","1","0.0208333","","Ikeda, T.; Kodaira, T.","Crystal structure annd magnetic properties of rubidium clusters in zeolite LTA","Studies in Surface Science and Catalysis","2001","135","","3416","3423","","","","","","","","","","","","","","","","","","","","","","has coordinates","158525","2020-10-21","18:00:00","" "1532589","24.6645","","24.6645","","24.6645","","90","","90","","90","","15004.3","","","","","","","","","","","","","5","F -4 3 c","F -4a 2 3","219","","Rb124.48 K9.41 (Al96 Si96 O384)","","- Al96 K9.41 O384 Rb124.48 Si96 -","- Al96 K9.408 O384 Rb124.48 Si96 -","- Al96 K9.408 O384 Rb124.48 Si96 -","1","0.0104167","","Ikeda, T.; Kodaira, T.","Crystal structure annd magnetic properties of rubidium clusters in zeolite LTA","Studies in Surface Science and Catalysis","2001","135","","3416","3423","","","","","","","","","","","","","","","","","","","","","","has coordinates","158526","2020-10-21","18:00:00","" "1532761","9.0339","","9.0339","","9.0339","","90","","90","","90","","737.269","","","","","","","","","","","","","3","I m -3","-I 2 2 3","204","","Co (Sb2.997 Te0.003)","","- Co Sb2.997 Te0.003 -","- Co Sb2.997 Te0.003 -","- Co8 Sb23.976 Te0.024 -","8","0.166667","","Wojciechowski, K.T.; Wegrzyn, Z.; Bucko, M.; Malecki, A.","Rietveld refinement studies of Te-doped Co Sb3","Applied Crystallography: Proceedings of the XVII International Conference Wisla, Poland 31 August-4 September, 1997","2001","18","","46","49","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "1532764","9.0419","","9.0419","","9.0419","","90","","90","","90","","739.229","","","","","","","","","","","","","3","I m -3","-I 2 2 3","204","","Co (Sb2.91 Te0.09)","","- Co Sb2.91 Te0.09 -","- Co Sb2.91 Te0.09 -","- Co8 Sb23.28 Te0.72 -","8","0.166667","","Wojciechowski, K.T.; Bucko, M.; Wegrzyn, Z.; Malecki, A.","Rietveld refinement studies of Te-doped Co Sb3","Applied Crystallography: Proceedings of the XVII International Conference Wisla, Poland 31 August-4 September, 1997","2001","18","","46","49","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "1532766","9.0487","","9.0487","","9.0487","","90","","90","","90","","740.898","","","","","","","","","","","","","3","I m -3","-I 2 2 3","204","","Co (Sb2.7 Te0.3)","","- Co Sb2.7 Te0.3 -","- Co Sb2.7 Te0.3 -","- Co8 Sb21.6 Te2.4 -","8","0.166667","","Wojciechowski, K.T.; Bucko, M.; Wegrzyn, Z.; Malecki, A.","Rietveld refinement studies of Te-doped Co Sb3","Applied Crystallography: Proceedings of the XVII International Conference Wisla, Poland 31 August-4 September, 1997","2001","18","","46","49","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "1532804","10.3151","","10.3151","","10.3151","","90","","90","","90","","1097.54","","","","","","","","","","","","","4","F d -3 m :2","-F 4vw 2vw 3","227","","(Cu0.8 Co0.2) (Cr2 Se4)","","- Co0.2 Cr2 Cu0.8 Se4 -","- Co0.2 Cr2 Cu0.8 Se4 -","- Co1.6 Cr16 Cu6.4 Se32 -","8","0.0416667","","Okonska-Kozlowska, I.; Maciazek, E.; Ratuszna, A.","Crystal structure of Cu Cr2 Se4, Cu0.8 Co0.2 Cr2 Se4 and Cu0.4 Co0.6 Cr2 Se4","Applied Crystallography: Proceedings of the XVII International Conference Wisla, Poland 31 August-4 September, 1997","2001","18","","54","57","","","","","","","","","","","","","","","","","","","","","","has coordinates","158791","2020-10-21","18:00:00","" "1532808","6.288","","3.608","","11.728","","90","","91.304","","90","","266.005","","","","","","","","","","","","","4","I 1 2/m 1","-I 2y","12","","(Cu0.4 Co0.6) (Cr2 Se4)","","- Co0.6 Cr2 Cu0.4 Se4 -","- Co0.6 Cr2 Cu0.4 Se4 -","- Co1.2 Cr4 Cu0.8 Se8 -","2","0.25","","Okonska-Kozlowska, I.; Maciazek, E.; Ratuszna, A.","Crystal structure of Cu Cr2 Se4, Cu0.8 Co0.2 Cr2 Se4 and Cu0.4 Co0.6 Cr2 Se4","Applied Crystallography: Proceedings of the XVII International Conference Wisla, Poland 31 August-4 September, 1997","2001","18","","54","57","","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00","" "1534407","5.6674","","10.771","","7.4738","","90","","102.422","","90","","445.547","","","","","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","Li (Re O4) (H2 O)","","- H2 Li O5 Re -","- Li O5 Re -","- Li4 O20 Re4 -","4","1","","Abakumov, A.M.; Shpanchenko, R.V.; Rozova, M.G.; Mironov, A.V.; Antipov, E.V.; Bramnik, K.G.","Synthesis and crystal structure of the lithium perrhenate monohydrate Li Re O4 . (H2 O)","Solid State Sciences","2001","3","","581","586","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "1534416","11.7054","","6.1421","","13.984","","90","","96.745","","90","","998.431","","","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(N H4)3 (N3 S3 O6)","","- H12 N6 O6 S3 -","- H12 N6 O6 S3 -","- H48 N24 O24 S12 -","4","1","","Rustad, D. S.","The correct triammonium trisulfimide (triammonium 1,3,5,2,4,6-trithiatriazine,1,1,3,3,5,5-hexoxide), (N H4)3 N3 S3 O6","Polyhedron","2001","20","","2439","2444","","","","","","","","","","","","","","","","","","","","","","has coordinates","186592","2020-10-21","18:00:00","" "1534420","7.4163","","15.079","","9.75","","90","","98.292","","90","","1078.95","","","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","(N H4)3 (N3 O6 S3) (H N (S O3 (N H4))2)","","- H21 N9 O12 S5 -","- H21 N9 O12 S4.98 -","- H42 N18 O24 S9.96 -","2","0.5","","Rustad, D. S.","The correct triammonium trisulfimide (triammonium 1,3,5,2,4,6-trithiatriazine,1,1,3,3,5,5-hexoxide), (N H4)3 N3 S3 O6","Polyhedron","2001","20","","2439","2444","","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00","" "1534477","10.971","","12.601","","16.035","","90","","90","","90","","2216.77","","","","","","","","","","","","","4","F d d d :2","-F 2uv 2vw","70","","Cs (Mo O2 (P O4))","","- Cs Mo O6 P -","- Cs Mo O6 P -","- Cs16 Mo16 O96 P16 -","16","0.5","","Leclaire, A.; Guesdon, A.; Borel, M.M.; Berrah, F.; Raveau, B.","Two molybdenum(VI) monophosphates with a tunnel structure : A Mo O2 P O4 (A = Cs, Tl) and structural relationships in the series.","Solid State Sciences","2001","3","","877","882","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "1534479","10.851","","12.452","","15.872","","90","","90","","90","","2144.57","","","","","","","","","","","","","4","F d d d :2","-F 2uv 2vw","70","","Tl (Mo O2 (P O4))","","- Mo O6 P Tl -","- Mo O6 P Tl -","- Mo16 O96 P16 Tl16 -","16","0.5","","Leclaire, A.; Guesdon, A.; Borel, M.M.; Berrah, F.; Raveau, B.","Two molybdenum(VI) monophosphates with a tunnel structure : A Mo O2 P O4 (A = Cs, Tl) and structural relationships in the series.","Solid State Sciences","2001","3","","877","882","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "1534538","6.0742","","8.9117","","12.01","","90","","90","","90","","650.119","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","Na5 (Cu O2) (O H)2","","- Cu H2 Na5 O4 -","- Cu H2 Na5 O4 -","- Cu4 H8 Na20 O16 -","4","0.5","","Amann, P.; Moeller, A.","Synthesis, crystal structure, and reactivity of Na5 (Cu O2) (O H)2","Zeitschrift fuer Anorganische und Allgemeine Chemie","2001","627","","2571","2575","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "1534625","10.5322","","10.5322","","7.7371","","90","","90","","90","","858.255","","","","","","","","","","","","","5","P 4/m b m","-P 4 2ab","127","","(Cr (N H3)6) (Cr (N H3)2 F4) (B F4)2","","- B2 Cr2 F12 H24 N8 -","- B2 Cr2 F12 H24 N8 -","- B4 Cr4 F24 H48 N16 -","2","0.125","","Goebbels, D.; Meyer, G.","Hexaamminechromium diamminetetrafluorochromate(III) bis(tetrafluoroborate)","Private Communication","2001","2001","","1","1","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "1534638","9.717","","9.717","","6.1696","","90","","90","","120","","504.489","","","","","","","","","","","","","4","P 63/m","-P 6c","176","","La (H Se O4)3","","- H3 La O12 Se3 -","- H3 La O12 Se3 -","- H6 La2 O24 Se6 -","2","0.166667","","Goehausen, I.; Wickleder, M.S.","Hydrogenselenate der Selten-Erd-Elemente: Synthese und Kristallstruktur von La (H Se O4)3 und Gd (H Se O4) (Se O4)","Zeitschrift fuer Anorganische und Allgemeine Chemie","2001","627","","1115","1117","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "1534640","9.2037","","13.516","","10.0404","","90","","90","","90","","1249","","","","","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","Gd (H Se O4) (Se O4)","","- Gd H O8 Se2 -","- Gd H O8 Se2 -","- Gd8 H8 O64 Se16 -","8","1","","Goehausen, I.; Wickleder, M.S.","Hydrogenselenate der Selten-Erd-Elemente: Synthese und Kristallstruktur von La (H Se O4)3 und Gd (H Se O4) (Se O4)","Zeitschrift fuer Anorganische und Allgemeine Chemie","2001","627","","1115","1117","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "1534650","12.5931","","12.5931","","12.5931","","90","","90","","90","","1997.09","","","","","","","","","","","","","5","I m -3 m","-I 4 2 3","229","","(Ni (N C N H2)4) Cl2","","- C4 H8 Cl2 N8 Ni -","- C4 H8 Cl2 N8 Ni -","- C24 H48 Cl12 N48 Ni6 -","6","0.0625","","Liu, X.-H.; Kroll, P.; Dronskowski, R.","Crystal structure, magnetic properties, and electronic structure of Ni (N C N H2)4 Cl2 and Co (N C N H2)4 Cl2","Zeitschrift fuer Anorganische und Allgemeine Chemie","2001","627","","1682","1686","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "1534652","12.6626","","12.6626","","12.6626","","90","","90","","90","","2030.34","","","","","","","","","","","","","5","I m -3 m","-I 4 2 3","229","","(Co (N C N H2)4) Cl2","","- C4 H8 Cl2 Co N8 -","- C4 H8 Cl2 Co N8 -","- C24 H48 Cl12 Co6 N48 -","6","0.0625","","Liu, X.-H.; Kroll, P.; Dronskowski, R.","Crystal structure, magnetic properties, and electronic structure of Ni (N C N H2)4 Cl2 and Co (N C N H2)4 Cl2","Zeitschrift fuer Anorganische und Allgemeine Chemie","2001","627","","1682","1686","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "1534663","9.4231","","12.2575","","9.4842","","90","","96.421","","90","","1088.59","","","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Sn Al2 O Cl6","","- Al2 Cl6 O Sn -","- Al2 Cl6 O Sn -","- Al8 Cl24 O4 Sn4 -","4","1","","Assoud, A.; Meyer, G.","Sn Al2 O Cl6, ein quaternaeres Oxidchlorid mit kantenverknuepften (Al4 O2 Cl10)-Tetrameren und ((Sn Cl2/2 Cl5)2)-Dimeren","Zeitschrift fuer Anorganische und Allgemeine Chemie","2001","627","","921","924","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "1534678","3.8119","","3.8119","","6.2826","","90","","90","","90","","91.29","","","","","","","","","","","","","2","I 4/m m m","-I 4 2","139","","Sr N2","","- N2 Sr -","- N2 Sr -","- N4 Sr2 -","2","0.0625","","Auffermann, G.; Prots', Yu.; Kniep, R.","Sr N and Sr N2 : diazenides by synthesis under high N2-pressure","Angewandte Chemie (Edition international)","2001","40","","547","549","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "1534681","13.46","","3.8096","","6.7228","","90","","94.713","","90","","343.561","","","","","","","","","","","","","2","C 1 2/m 1","-C 2y","12","","Sr N","","- N Sr -","- N Sr -","- N8 Sr8 -","8","1","","Auffermann, G.; Kniep, R.; Prots', Yu.","SrN and SrN2: diazenides by synthesis under high N2-pressure","Angew. Chem. Int. ed.","2001","40","","547","549","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "1534697","15.325","","11.634","","26.739","","90","","95.81","","90","","4742.83","","","","","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Na6 (Sn4 Se11) (H2 O)22","","- H44 Na6 O22 Se11 Sn4 -","- Na6 O22 Se11 Sn4 -","- Na24 O88 Se44 Sn16 -","4","0.5","","Loose, A.; Sheldrick, W.S.","Synthesis and structure of the bicyclic (Sn4 Se11)(6-) anion in Na6 Sn4 Se11 * 22(H2 O)","Zeitschrift fuer Anorganische und Allgemeine Chemie","2001","627","","2051","2052","","","","","","","","","","","","","","","","","","","","","","has coordinates","161641","2020-10-21","18:00:00","" "1534703","5.026","","7.749","","8.555","","94.92","","91.77","","97.86","","328.534","","","","","","","","","","","","","5","P -1","-P 1","2","","(Co (S O2)2) (Sb F6)2","","- Co F12 O4 S2 Sb2 -","- Co F12 O4 S2 Sb2 -","- Co F12 O4 S2 Sb2 -","1","0.5","","Lork, E.; Mews, R.; Petersen, J.; Schroeter, M.; Zemva, B.","Transition metal sulfur dioxide hexafluoroarsenates and hexafluoroantimonates","Journal of Fluorine Chemistry","2001","110","","109","116","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "1534706","8.508","","13.556","","14.735","","90","","99.36","","90","","1676.83","","","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(Co (S O2)4) (As F6)2","","- As2 Co F12 O8 S4 -","- As2 Co F12 O8 S4 -","- As8 Co4 F48 O32 S16 -","4","1","","Lork, E.; Mews, R.; Zemva, B.; Schroeter, M.; Petersen, J.","Transition metal sulfur dioxide hexafluoroarsenates and hexafluoroantimonates","Journal of Fluorine Chemistry","2001","110","","109","116","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "1534707","19.952","","14.428","","14.411","","90","","125.29","","90","","3386.13","","","","","","","","","","","","","5","C 1 2/m 1","-C 2y","12","","Cs12 Pd9 Cl30 (H2 O)2","","- Cl30 Cs12 H4 O2 Pd9 -","- Cl30 Cs12 O2 Pd9 -","- Cl60 Cs24 O4 Pd18 -","2","0.25","","Schuepp, B.; Keller, H.L.","Caesiumchloropalladat(II)-hydrate - zwei neue Verbindungen mit kondensierten (Pd2 Cl6)-Baugruppen","Zeitschrift fuer Anorganische und Allgemeine Chemie","2001","627","","357","364","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "1534708","15.068","","17.916","","9.212","","90","","90","","90","","2486.86","","","","","","","","","","","","","5","F d d 2","F 2 -2d","43","","(Mn (S O2)2) (As F6)2","","- As2 F12 Mn O4 S2 -","- As2 F12 Mn O4 S2 -","- As16 F96 Mn8 O32 S16 -","8","0.5","","Lork, E.; Mews, R.; Schroeter, M.; Petersen, J.; Zemva, B.","Transition metal sulfur dioxide hexafluoroarsenates and hexafluoroantimonates","Journal of Fluorine Chemistry","2001","110","","109","116","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "1534710","8.972","","11.359","","18.168","","83.61","","76.98","","76.39","","1749.97","","","","","","","","","","","","","5","P -1","-P 1","2","","Cs6 Pd5 Cl16 (H2 O)2","","- Cl16 Cs6 H4 O2 Pd5 -","- Cl16 Cs6 O2 Pd5 -","- Cl32 Cs12 O4 Pd10 -","2","1","","Schuepp, B.; Keller, H.L.","Caesiumchloropalladat(II)-hydrate - zwei neue Verbindungen mit kondensierten (Pd2 Cl6)-Baugruppen","Zeitschrift fuer Anorganische und Allgemeine Chemie","2001","627","","357","364","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "1534712","7.505","","12.969","","8.907","","90","","104.21","","90","","840.413","","","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(Cu (S O2)4) (As F6)2","","- As2 Cu F12 O8 S4 -","- As2 Cu F12 O8 S4 -","- As4 Cu2 F24 O16 S8 -","2","0.5","","Lork, E.; Mews, R.; Zemva, B.; Petersen, J.; Schroeter, M.","Transition metal sulfur dioxide hexafluoroarsenates and hexafluoroantimonates","Journal of Fluorine Chemistry","2001","110","","109","116","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "1534770","10.986","","10.986","","10.846","","90","","90","","120","","1133.65","","","","","","","","","","","","","5","R -3 :H","-R 3","148","","(Co (N H3)6) (Fe (C N)6)","","- C6 H18 Co Fe N12 -","- C6 H18 Co Fe N12 -","- C18 H54 Co3 Fe3 N36 -","3","0.166667","","Seitz, K.; Peschel, S.; Babel, D.","Ueber die Kristallstrukturen der Cyanokomplexe (Co (N H3)6) (Fe (C N)6), (Co (N H3)6)2 (Ni (C N)4)3 . 2(H2 O) und (Cu (en)2) (Ni (C N)4)","Zeitschrift fuer Anorganische und Allgemeine Chemie","2001","627","","929","934","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "1534773","8.057","","8.557","","12.053","","86.32","","100.13","","90.54","","816.337","","","","","","","","","","","","","6","P -1","-P 1","2","","(Co (N H3)6)2 (Ni (C N)4)3 (H2 O)2","","- C12 H40 Co2 N24 Ni3 O2 -","- C12 H40 Co2 N24 Ni3 O2 -","- C12 H40 Co2 N24 Ni3 O2 -","1","0.5","","Seitz, K.; Peschel, S.; Babel, D.","Ueber die Kristallstrukturen der Cyanokomplexe (Co (N H3)6) (Fe (C N)6), (Co (N H3)6)2 (Ni (C N)4)3 . 2(H2 O) und (Cu (en)2) (Ni (C N)4)","Zeitschrift fuer Anorganische und Allgemeine Chemie","2001","627","","929","934","","","","","","","","","","","","","","","","","","","","","","has coordinates","161754","2020-10-21","18:00:00","" "1534777","6.505","","7.29","","7.965","","106.67","","91.46","","106.96","","343.636","","","","","","","","","","","","","5","P -1","-P 1","2","","(Cu (C2 N2 H8)2) (Ni (C N)4)","","- C8 H16 Cu N8 Ni -","- C8 H16 Cu N8 Ni -","- C8 H16 Cu N8 Ni -","1","0.5","","Seitz, K.; Peschel, S.; Babel, D.","Ueber die Kristallstrukturen der Cyanokomplexe (Co (N H3)6) (Fe (C N)6), (Co (N H3)6)2 (Ni (C N)4)3 . 2(H2 O) und (Cu (en)2) (Ni (C N)4)","Zeitschrift fuer Anorganische und Allgemeine Chemie","2001","627","","929","934","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "1534784","14.069","","14.069","","14.069","","90","","90","","90","","2784.77","","","","","","","","","","","","","3","F d -3 m :2","-F 4vw 2vw 3","227","","","","- Hf Ru2 Zn20 -","- Hf0.9767 Ru2.02 Zn20.1862 -","- Hf7.8136 Ru16.16 Zn161.49 -","8","0.0416667","","Gross, N.; Jeitschko, W.; Nasch, T.","Ternary intermetallics with high zinc content: T T'2 Zn20 (T= Zr, Hf, Nb; T'= Mn, Fe, Ru, Co, Rh, Ni) with Ce Cr2 Al20 - type structure","Journal of Solid State Chemistry","2001","161","","288","293","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00","" "1534786","13.879","","13.879","","13.879","","90","","90","","90","","2673.47","","","","","","","","","","","","","3","F d -3 m :2","-F 4vw 2vw 3","227","","","","- Fe1.97 Nb1.026 Zn20 -","- Fe1.97 Nb1.026 Zn19.99 -","- Fe15.76 Nb8.208 Zn159.92 -","8","0.0416667","","Gross, N.; Nasch, T.; Jeitschko, W.","Ternary intermetallics with high zinc content: T T'2 Zn20 (T= Zr, Hf, Nb; T'= Mn, Fe, Ru, Co, Rh, Ni) with Ce Cr2 Al20 - type structure","Journal of Solid State Chemistry","2001","161","","288","293","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00","" "1534789","8.9067","","8.8271","","7.8815","","90","","108.393","","90","","587.991","","","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Cu3 In2 (P O4)4","","- Cu3 In2 O16 P4 -","- Cu3 In2 O16 P4 -","- Cu6 In4 O32 P8 -","2","0.5","","Gruss, M.; Glaum, R.","Beitraege zur Kristallchemie und zum thermischen Verhalten von wasserfreien Phosphaten. XXIV. Darstellung, Kristallstruktur und Eigenschaften des Kupfer(II)-Indium(III)-Orthophosphats Cu3 In2 (P O4)4","Zeitschrift fuer Anorganische und Allgemeine Chemie","2001","627","","1377","1382","","","","","","","","","","","","","","","","","","","","","","has coordinates","161781","2020-10-21","18:00:00","" "1534811","18.209","","18.209","","6.3898","","90","","90","","120","","1834.81","","","","","","","","","","","","","4","P 63/m","-P 6c","176","","Ni20 ((O H)12 (H2 O)6) (H P O4)8 (P O4)4 (H2 O)12.35","","- H56.7 Ni20 O78.35 P12 -","- Ni20 O78.348 P12 -","- Ni20 O78.348 P12 -","1","0.0833333","","Guillou, N.; Gao, Q.-M.; Chang, J.-S.; Forster, P.M.; Noques, M.; Ferey, G.; Cheetham, A.K.; Park, S.-E.","Nickel(II) phosphate VSB-5: a magnetic nanoporous hydrogenation catalyst with 24-ring tunnels","Angew. Chem. Int. ed.","2001","40","","2831","2834","","","","","","","","","","","","","","","","","","","","","","has coordinates","161823","2020-10-21","18:00:00","" "1534853","6.312","","6.499","","6.916","","83.12","","88.37","","67.72","","260.59","","","","","","","","","","","","","4","P -1","-P 1","2","","Ca Cr (P2 O7)","","- Ca Cr O7 P2 -","- Ca Cr O7 P2 -","- Ca2 Cr2 O14 P4 -","2","1","","Maafi, K.; Glaum, R.; Gruehn, R.","Beitraege zum thermischen Verhalten und zur Kristallchemie von wasserfreien Phosphaten. XXXI. (Mg1-x Crx)2 P2 O7, Ca Cr P2 O7, Sr Cr P2 O7 und Ba Cr P2 O7 - neue Diphosphate des zweiwertigen Chroms","Zeitschrift fuer Anorganische und Allgemeine Chemie","2001","627","","2081","2090","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "1534855","5.382","","7.271","","7.589","","103.33","","89.91","","93.62","","288.373","","","","","","","","","","","","","4","P -1","-P 1","2","","Ba Cr (P2 O7)","","- Ba Cr O7 P2 -","- Ba Cr O7 P2 -","- Ba2 Cr2 O14 P4 -","2","1","","Maass, K.; Gruehn, R.; Glaum, R.","Beitraege zum thermischen Verhalten und zur Kristallchemie von wasserfreien Phosphaten. XXXI. (Mg1-x Crx)2 P2 O7, Ca Cr P2 O7, Sr Cr P2 O7 und Ba Cr P2 O7 - neue Diphosphate des zweiwertigen Chroms","Zeitschrift fuer Anorganische und Allgemeine Chemie","2001","627","","2081","2090","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "1534860","5.96394","","16.43335","","6.42132","","90","","90","","90","","629.338","","","","","","","","","","","","","3","P b c m","-P 2c 2b","57","","Na5 O (As O4)","","- As Na5 O5 -","- As Na5 O5 -","- As4 Na20 O20 -","4","0.5","","Haas, H.; Jansen, M.","Synthese und Charakterisierung von Na5 As O5","Zeitschrift fuer Anorganische und Allgemeine Chemie","2001","627","","1013","1016","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "1534864","9.99522","","10.01978","","5.65137","","96.543","","96.293","","113.353","","508.747","","","","","","","","","","","","","3","P -1","-P 1","2","","Na4 (Mo O5)","","- Mo Na4 O5 -","- Mo Na4 O5 -","- Mo4 Na16 O20 -","4","2","","Haas, H.; Jansen, M.","Na4 Se O5, ein neues Pentaoxoselenat(VI) - Synthese, Charakterisierung und Vergleich mit isotypem Na4 Mo O5","Zeitschrift fuer Anorganische und Allgemeine Chemie","2001","627","","755","760","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "1534894","7.7091","","6.7212","","7.9582","","90","","109.868","","90","","387.806","","","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Ca (H P O3) (H2 O)","","- Ca H3 O4 P -","- Ca H3 O4 P -","- Ca4 H12 O16 P4 -","4","1","","Mahmoudkhani, A.H.; Langer, V.","Two-dimensional inorganic networks in the crystal structures of calcium and strontium phosphite monohydrates","Phosphorus, Sulfur, Silicon and Related Elements","2001","176","","83","94","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "1534897","7.5906","","7.0502","","8.2156","","90","","108.459","","90","","417.04","","","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Sr (H P O3) (H2 O)","","- H3 O4 P Sr -","- H3 O4 P Sr -","- H12 O16 P4 Sr4 -","4","1","","Mahmoudkhani, A.H.; Langer, V.","Two-dimensional inorganic networks in the crystal structures of calcium and strontium phosphite monohydrates","Phosphorus, Sulfur, Silicon and Related Elements","2001","176","","83","94","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "1534911","12.2726","","12.2726","","11.4535","","90","","90","","90","","1725.09","","","","","","","","","","","","","4","I -4","I -4","82","","(Bi4 Te4) (Al Cl4)4","","- Al4 Bi4 Cl16 Te4 -","- Al4 Bi4 Cl16 Te4 -","- Al8 Bi8 Cl32 Te8 -","2","0.25","","Beck, J.; Schlueter, S.; Dolg, M.","(Bi4 Te4)(4+) - a cube-shaped, polycationic main group element cluster","Angew. Chem. Int. ed.","2001","40","","2287","2290","","","","","","","","","","","","","","","","","","","","","","has coordinates","161983","2020-10-21","18:00:00","" "1534975","10.201","","4.312","","9.256","","90","","90","","90","","407.141","","","","","","","","","","","","","4","P m m a","-P 2a 2a","51","","Cu Hg Br Se","","- Br Cu Hg Se -","- Br Cu Hg Se -","- Br4 Cu4 Hg4 Se4 -","4","0.5","","Beck, J.; Keller, H.L.; Rompel, M.; Wimbert, L.","Hydrothermalsynthese und Kristallstruktur der Muenzmetall-Quecksilber-Chalkogenidhalogenide Cu Hg Se Br, Ag Hg S Br und Ag Hg S I","Zeitschrift fuer Anorganische und Allgemeine Chemie","2001","627","","2289","2294","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "1534978","6.292","","12.341","","12.248","","90","","90","","90","","951.052","","","","","","","","","","","","","4","P b c m","-P 2c 2b","57","","(Hg3 As2) Tl Cl3","","- As2 Cl3 Hg3 Tl -","- As2 Cl3 Hg3 Tl -","- As8 Cl12 Hg12 Tl4 -","4","0.5","","Beck, J.; Neisel, U.","Polykationische Hg-Pnictid-Gerueste mit einer neuen Fuellungsvariante in den Strukturen von Hg3 As2 Tl Cl3 und Hg3 Sb2 Tl Br3","Zeitschrift fuer Anorganische und Allgemeine Chemie","2001","627","","2016","2022","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "1534981","6.61","","13.112","","13.071","","90","","90","","90","","1132.87","","","","","","","","","","","","","4","P b c m","-P 2c 2b","57","","(Hg3 Sb2) Tl Br3","","- Br3 Hg3 Sb2 Tl -","- Br3 Hg3 Sb2 Tl -","- Br12 Hg12 Sb8 Tl4 -","4","0.5","","Beck, J.; Neisel, U.","Polykationische Hg-Pnictid-Gerueste mit einer neuen Fuellungsvariante in den Strukturen von Hg3 As2 Tl Cl3 und Hg3 Sb2 Tl Br3","Zeitschrift fuer Anorganische und Allgemeine Chemie","2001","627","","2016","2022","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "1535012","17.303","","9.99","","17.924","","90","","90","","90","","3098.29","","","","","","","","","","","","","1","C c m m","-C 2c 2c","63","","","","- C70 -","- C70 -","- C280 -","4","0.25","","Soldatov, A.V.; Dzyabchenko, A.; Roth, G.; Haluska, M.; Johnels, D.; Lebedkin, S.; Meingast, C.; Sundqvist, B.; Kuzmany, H.","Topochemical polymerization of C70 controlled by monomer crystal packing","Science","2001","293","","680","683","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00","" "1535080","10.313","","15.9072","","11.5043","","90","","100.059","","90","","1858.28","","","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Rb8 (Ta6 O19) (H2 O)14","","- H28 O33 Rb8 Ta6 -","- O33 Rb8 Ta6 -","- O66 Rb16 Ta12 -","2","0.5","","Hartl, H.; Emmerling, F.; Pickhard, F.; Roehr, C.","Rb- und Cs-Verbindungen mit dem Isopolyanion (Ta6 O19)(8-): Synthesen, Kristallstrukturen, thermische und schwingungsspektroskopische Untersuchungen der Oxotantalate A8 (Ta6 O19) . n(H2 O) (A=Rb, Cs; n=0,4,14)","Zeitschrift fuer Anorganische und Allgemeine Chemie","2001","627","","2630","2638","","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00","" "1535084","10.554","","16.149","","11.714","","90","","99.97","","90","","1966.34","","","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Cs8 (Ta6 O19) (H2 O)14","","- Cs8 H28 O33 Ta6 -","- Cs8 O33 Ta6 -","- Cs16 O66 Ta12 -","2","0.5","","Hartl, H.; Pickhard, F.; Roehr, C.; Emmerling, F.","Rubidium- und Caesium-Verbindungen mit dem Isopolyanion (Ta6 O19)(8-) - Synthesen, Kristallstrukturen, thermische und schwingungsspektroskopische Untersuchungen der Oxotantalate A8 (Ta6 O19) . n(H2 O) (A = Rb, Cs; n = 0,4,14)","Zeitschrift fuer Anorganische und Allgemeine Chemie","2001","627","","2630","2638","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "1535086","4.3718","","4.3718","","17.605","","90","","90","","120","","291.398","","","","","","","","","","","","","3","P 63/m m c","-P 6c 2c","194","","La2 Al2 I","","- Al2 I La2 -","- Al2 I La2 -","- Al4 I2 La4 -","2","0.0833333","","Mattausch, H.J.; Oeckler, O.; Zheng, C.; Simon, A.","Kondensierte Al6-ringe in den Subiodiden La3 Al2 I2 und La2 Al2 I","Zeitschrift fuer Anorganische und Allgemeine Chemie","2001","627","","1523","1531","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "1535088","12.169","","14.592","","14.147","","90","","90.734","","90","","2511.88","","","","","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","Rb8 (Ta6 O19) (H2 O)4","","- H8 O23 Rb8 Ta6 -","- O23 Rb8 Ta6 -","- O92 Rb32 Ta24 -","4","0.5","","Hartl, H.; Pickhard, F.; Emmerling, F.; Roehr, C.","Rubidium- und Caesium-Verbindungen mit dem Isopolyanion (Ta6 O19)(8-) - Synthesen, Kristallstrukturen, thermische und schwingungsspektroskopische Untersuchungen der Oxotantalate A8 (Ta6 O19) . n(H2 O) (A = Rb, Cs; n=0,4,14)","Zeitschrift fuer Anorganische und Allgemeine Chemie","2001","627","","2630","2638","","","","","","","","","","","","","","","","","","","","","","has coordinates","162274","2020-10-21","18:00:00","" "1535090","19.729","","4.3181","","12.348","","90","","121.49","","90","","897.029","","","","","","","","","","","","","3","C 1 2/m 1","-C 2y","12","","La3 Al2 I2","","- Al2 I2 La3 -","- Al2 I2 La3 -","- Al8 I8 La12 -","4","0.5","","Mattausch, H.J.; Zheng, C.; Oeckler, O.; Simon, A.","Kondensierte Al6-Ringe in den Subiodiden La3 Al2 I2 und La2 Al2 I","Zeitschrift fuer Anorganische und Allgemeine Chemie","2001","627","","1523","1531","","","","","","","","","","","","","","","","","","","","","","has coordinates","162276","2020-10-21","18:00:00","" "1535092","9.8585","","9.8585","","14.0334","","90","","90","","90","","1363.91","","","","","","","","","","","","","3","I 4/m","-I 4","87","","Cs8 (Ta6 O19)","","- Cs8 O19 Ta6 -","- Cs8 O19 Ta6 -","- Cs16 O38 Ta12 -","2","0.125","","Hartl, H.; Pickhard, F.; Emmerling, F.; Roehr, C.","Rubidium- und Caesium-Verbindungen mit dem Isopolyanion (Ta6 O19)(8-) - Synthesen, Kristallstrukturen, thermische und schwingungsspektroskopische Untersuchungen der Oxotantalate A8 (Ta6 O19) . n(H2 O) (A = Rb, Cs; n=0,4,14)","Zeitschrift fuer Anorganische und Allgemeine Chemie","2001","627","","2630","2638","","","","","","","","","","","","","","","","","","","","","","has coordinates","162278","2020-10-21","18:00:00","" "1535119","15.866","","7.793","","10.812","","90","","97.99","","90","","1323.86","","","","","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","Pr3 I (Si S4)2","","- I Pr3 S8 Si2 -","- I Pr3 S8 Si2 -","- I4 Pr12 S32 Si8 -","4","0.5","","Hatscher, S.T.; Urland, W.","Syntheses and crystal structures of Ln3 I (Si S4)2 (Ln = Pr, Nd, Sm, Tb)","Zeitschrift fuer Anorganische und Allgemeine Chemie","2001","627","","2198","2200","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "1535122","15.837","","7.7746","","10.7905","","90","","98.1","","90","","1315.34","","","","","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","Nd3 I (Si S4)2","","- I Nd3 S8 Si2 -","- I Nd3 S8 Si2 -","- I4 Nd12 S32 Si8 -","4","0.5","","Hatscher, S.T.; Urland, W.","Syntheses and crystal structures of Ln3 I (Si S4)2 (Ln = Pr, Nd, Sm, Tb)","Zeitschrift fuer Anorganische und Allgemeine Chemie","2001","627","","2198","2200","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "1535125","15.732","","7.7097","","10.733","","90","","98.19","","90","","1288.52","","","","","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","Sm3 I (Si S4)2","","- I S8 Si2 Sm3 -","- I S8 Si2 Sm3 -","- I4 S32 Si8 Sm12 -","4","0.5","","Hatscher, S.T.; Urland, W.","Syntheses and crystal structures of Ln3 I (Si S4)2 (Ln = Pr, Nd, Sm, Tb)","Zeitschrift fuer Anorganische und Allgemeine Chemie","2001","627","","2198","2200","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "1535127","15.645","","7.6136","","10.6466","","90","","98.94","","90","","1252.76","","","","","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","Tb3 I (Si S4)2","","- I S8 Si2 Tb3 -","- I S8 Si2 Tb3 -","- I4 S32 Si8 Tb12 -","4","0.5","","Hatscher, S.T.; Urland, W.","Syntheses and crystal structures of Ln3 I (Si S4)2 (Ln = Pr, Nd, Sm, Tb)","Zeitschrift fuer Anorganische und Allgemeine Chemie","2001","627","","2198","2200","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "1535151","10.793","","28.59","","10.68","","90","","109.31","","90","","3110.15","","","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(H3 O)8 La2 F (As F6)13","","- As13 F79 H24 La2 O8 -","- As13 F79 La2 O8 -","- As26 F158 La4 O16 -","2","0.5","","Mazej, Z.; Benkic, P.; Zemva, B.; Lutar, K.","Novel oxonium compounds of lanthanoids: synthesis of (H3 O)3 La2 F (As F6)8, and syntheses and crystal structures of (H3 O)8 La2 F (As F6)13 and (H3 O)4 La2 F (As F3)2 (As F6)9","Journal of Fluorine Chemistry","2001","112","","173","183","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "1535152","5.173","","5.549","","8.882","","73.98","","89.17","","62.54","","215.537","","","","","","","","","","","","","3","P -1","-P 1","2","","Mn (Sb F6)2","","- F12 Mn Sb2 -","- F12 Mn Sb2 -","- F12 Mn Sb2 -","1","0.5","","Benkic, P.; Mazej, Z.","Reactions of manganese(II) fluoride in the superacidic systems (H F)/(Sb F5) and (H F)/(Ge F4)- crystal structure of Mn (Sb F6)2 and vibrational spectra of Mn Ge F6","Zeitschrift fuer Anorganische und Allgemeine Chemie","2001","627","","1952","1957","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "1535154","10.648","","10.733","","12.139","","75.53","","64.79","","70.07","","1171.03","","","","","","","","","","","","","5","P -1","-P 1","2","","(H3 O)4 La2 F (As F3)2 (As F6)9","","- As11 F61 H12 La2 O4 -","- As11 F61 La2 O4 -","- As11 F61 La2 O4 -","1","0.5","","Mazej, Z.; Benkic, P.; Lutar, K.; Zemva, B.","Novel oxonium compounds of lanthanoids: synthesis of (H3 O)3 La2 F (As F6)8, and syntheses and crystal structures of (H3 O)8 La2 F (As F6)13 and (H3 O)4 La2 F (As F3)2 (As F6)9","Journal of Fluorine Chemistry","2001","112","","173","183","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "1535155","12.3688","","7.1808","","11.605","","90","","91.061","","90","","1030.56","","","","","","","","","","","","","3","C 1 2/m 1 (a,b,a+2*c)","-C 2y (x-1/2*z,y,1/2*z)","12","","Cr4 Ti Se8","","- Cr4 Se8 Ti -","- Cr4 Se8 Ti -","- Cr16 Se32 Ti4 -","4","","","Bensch, W.; Sander, B.; Ritter, C.; Kremer, R.K.; Naether, C.","Synthesis, crystal structure, magnetic properties and spin glass behaviour of the new ternary compound Cr4 Ti Se8","Solid State Sciences","2001","3","","559","568","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "1535254","28.1455","","6.7835","","6.4139","","90","","90","","90","","1224.57","","","","","","","","","","","","","3","P m m a","-P 2a 2a","51","","Li (Nb6 Cl19)","","- Cl19 Li Nb6 -","- Cl19 Li Nb6 -","- Cl38 Li2 Nb12 -","2","0.25","","Stroebele, M.; Meyer, H.J.","Die Leiterstruktur von Li Nb6 Cl19","Zeitschrift fuer Anorganische und Allgemeine Chemie","2001","627","","2005","2010","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "1535273","3.2647","","28.71","","3.1285","","90","","90","","90","","293.233","","","","","","","","","","","","","3","C m c m","-C 2c 2","63","","Nb3 B3 C","","- C B3 Nb3 -","- C B3 Nb3 -","- C4 B12 Nb12 -","4","0.25","","Hillebrecht, H.; Gebhardt, K.","Crystal structures from a building set: the first boridecarbides of niobium","Angew. Chem. Int. ed.","2001","40","","1445","1447","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "1535277","3.2287","","37.544","","3.1331","","90","","90","","90","","379.789","","","","","","","","","","","","","3","C m c m","-C 2c 2","63","","Nb4 B3 C2","","- C2 B3 Nb4 -","- C2 B3 Nb4 -","- C8 B12 Nb16 -","4","0.25","","Hillebrecht, H.; Gebhardt, K.","Crystal structures from a building set: the first boridecarbides of niobium","Angew. Chem. Int. ed.","2001","40","","1445","1447","","","","","","","","","","","","","","","","","","","","","","has coordinates","162568","2020-10-21","18:00:00","" "1535279","3.1541","","3.2166","","32.261","","90","","90","","90","","327.303","","","","","","","","","","","","","3","I m m m","-I 2 2","71","","Nb7 B4 C4","","- C4 B4 Nb7 -","- C4 B4 Nb7 -","- C8 B8 Nb14 -","2","0.125","","Hillebrecht, H.; Gebhardt, K.","Crystal structures from a building set: the first boridecarbides of niobium","Angew. Chem. Int. ed.","2001","40","","1445","1447","","","","","","","","","","","","","","","","","","","","","","has coordinates","162572","2020-10-21","18:00:00","" "1535282","3.1341","","33.161","","3.2428","","90","","90","","90","","337.024","","","","","","","","","","","","","3","C m m m","-C 2 2","65","","Nb7 B6 C3","","- C3 B6 Nb7 -","- C3 B6 Nb7 -","- C6 B12 Nb14 -","2","0.125","","Hillebrecht, H.; Gebhardt, K.","Crystal structures from a building set: the first boridecarbides of niobium","Angew. Chem. Int. ed.","2001","40","","1445","1447","","","","","","","","","","","","","","","","","","","","","","has coordinates","162576","2020-10-21","18:00:00","" "1535307","9.8946","","9.8946","","16.269","","90","","90","","120","","1379.39","","","","","","","","","","","","","3","P 63 m c","P 6c -2c","186","","Rb Li7 Ge8","","- Ge8 Li7 Rb -","- Ge8 Li7 Rb -","- Ge32 Li28 Rb4 -","4","0.333333","","Bobev, S.; Sevov, S.C.","Synthesis and characterization of Rb Li7 Ge8 with isolated closo-(Li4 Ge12)(8-) ions, lithium-capped truncated tetrahedra of (Ge12)(12-)","Angew. Chem. Int. ed.","2001","40","","1507","1510","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "1535311","8.062","","4.8684","","9.2455","","90","","90","","90","","362.877","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- Bi In0.67 Na -","- Bi In0.67 Na -","- Bi4 In2.68 Na4 -","4","0.5","","Bobev, S.; Sevov, S.C.","Five Ternary Zintl Phases in the Systems Alkali-Metal Indium Bismuth","Journal of Solid State Chemistry","2001","163","","436","448","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00","" "1535314","18.841","","9.235","","12.661","","90","","98.67","","90","","2177.8","","","","","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- Bi6 In3 Na9 -","- Bi6 In3 Na9 -","- Bi24 In12 Na36 -","4","1","","Bobev, S.; Sevov, S.C.","Five Ternary Zintl Phases in the Systems Alkali-Metal Indium Bismuth","Journal of Solid State Chemistry","2001","163","","436","448","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00","" "1535317","9.703","","9.703","","17.519","","90","","90","","90","","1649.38","","","","","","","","","","","","","3","P 43","P 4cw","78","","","","- Bi4 In2.67 K4.67 -","- Bi4 In2.66 K4.67 -","- Bi16 In10.64 K18.68 -","4","1","","Bobev, S.; Sevov, S.C.","Five Ternary Zintl Phases in the Systems Alkali-Metal Indium Bismuth","Journal of Solid State Chemistry","2001","163","","436","448","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00","" "1535319","12.012","","13.38","","13.695","","76.7","","64.14","","75.68","","1900.19","","","","","","","","","","","","","3","P -1","-P 1","2","","","","- Bi9 In6 K11 -","- Bi9 In6 K11 -","- Bi18 In12 K22 -","2","1","","Bobev, S.; Sevov, S.C.","Five Ternary Zintl Phases in the Systems Alkali-Metal Indium Bismuth","Journal of Solid State Chemistry","2001","163","","436","448","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00","" "1535363","8.8452","","8.8452","","7.9785","","90","","90","","120","","540.589","","","","","","","","","","","","","4","P 6/m m m","-P 6 2","191","","Ti0.49 Fe6 Ge4 (Ge1.04 Sb0.96)","","- Fe6 Ge5.04 Sb0.96 Ti0.49 -","- Fe6 Ge5.03733 Sb0.962667 Ti0.49 -","- Fe18 Ge15.112 Sb2.888 Ti1.47 -","3","0.125","","Mills, A.M.; Mar, A.; Anderson, E.J.","Structures of the quaternary iron germanium antimonides R1-x (R, Fe)6 Ge4 (Ge, Sb)2 (R= Ti, Cr, Mn), filled derivatives of Fe Ge1-x Sbx","Journal of Alloys Compd.","2001","322","","103","112","","","","","","","","","","","","","","","","","","","","","","has coordinates","162682","2020-10-21","18:00:00","" "1535365","8.8504","","8.8504","","8.0246","","90","","90","","120","","544.352","","","","","","","","","","","","","4","P 6/m m m","-P 6 2","191","","Cr0.15 (Cr0.66 Fe5.34) Ge4.55 (Ge0.62 Sb0.84)","","- Cr0.81 Fe5.34 Ge5.17 Sb0.84 -","- Cr0.805667 Fe5.34 Ge5.16667 Sb0.84 -","- Cr2.417 Fe16.02 Ge15.5 Sb2.52 -","3","0.125","","Mills, A.M.; Anderson, E.J.; Mar, A.","Structures of the quaternary iron germanium antimonides R1-x (R, Fe)6 Ge4 (Ge, Sb)2 (R = Ti, Cr, Mn), filled derivatives of Fe Ge1-x Sbx","Journal of Alloys Compd.","2001","322","","103","112","","","","","","","","","","","","","","","","","","","","","","has coordinates","162686","2020-10-21","18:00:00","" "1535368","8.9099","","8.9099","","7.9665","","90","","90","","120","","547.701","","","","","","","","","","","","","4","P 6/m m m","-P 6 2","191","","Mn0.4 (Mn1.38 Fe4.62) Ge4 (Ge0.85 Sb1.15)","","- Fe4.62 Ge4.85 Mn1.78 Sb1.15 -","- Fe4.62 Ge4.84667 Mn1.77667 Sb1.15333 -","- Fe13.86 Ge14.54 Mn5.33 Sb3.46 -","3","0.125","","Mills, A.M.; Anderson, E.J.; Mar, A.","Structures of the quaternary iron germanium antimonides R1-x (R, Fe)6 Ge4 (Ge, Sb)2 (R= Ti, Cr, Mn), filled derivatives of Fe Ge1-x Sbx","Journal of Alloys Compd.","2001","322","","103","112","","","","","","","","","","","","","","","","","","","","","","has coordinates","162690","2020-10-21","18:00:00","" "1535379","7.806","","8.8662","","13.121","","72.72","","88.8","","85.86","","864.848","","","","","","","","","","","","","3","P -1","-P 1","2","","Tl4 ((Nb S4)2 S3)","","- Nb2 S11 Tl4 -","- Nb2 S11 Tl4 -","- Nb4 S22 Tl8 -","2","1","","Teske, C.L.; Bensch, W.","Ueber Polychalkogenide des Thalliums mit M2 Q11-Baueinheiten I. Darstellung, Eigenschaften, roentgenographische und spektroskopische Untersuchung von Tl4 Nb2 S11 und Tl4 Ta2 S11","Zeitschrift fuer Anorganische und Allgemeine Chemie","2001","627","","385","389","","","","","","","","","","","","","","","","","","","","","","has coordinates","162707","2020-10-21","18:00:00","" "1535383","7.837","","8.902","","13.176","","72.69","","88.74","","85.67","","875.086","","","","","","","","","","","","","3","P -1","-P 1","2","","Tl4 ((Ta S4)2 S3)","","- S11 Ta2 Tl4 -","- S11 Ta2 Tl4 -","- S22 Ta4 Tl8 -","2","1","","Teske, C.L.; Bensch, W.","Ueber Polychalkogenide des Thalliums mit M2 Q11-Baueinheiten I. Darstellung, Eigenschaften, roentgenographische und spektroskopische Untersuchung von Tl4 Nb2 S11 und Tl4 Ta2 S11","Zeitschrift fuer Anorganische und Allgemeine Chemie","2001","627","","385","389","","","","","","","","","","","","","","","","","","","","","","has coordinates","162711","2020-10-21","18:00:00","" "1535396","4.0969","","10.5932","","13.2753","","90","","90","","90","","576.138","","","","","","","","","","","","","3","C m c m","-C 2c 2","63","","Sm3 Ir2 Si2","","- Ir2 Si2 Sm3 -","- Ir2 Si2 Sm3 -","- Ir8 Si8 Sm12 -","4","0.25","","Mishra, R.; Hoffmann, R.D.; Poettgen, R.","Two- and three-dimensional (Ir Si) networks in the silicides Sm3 Ir2 Si2, Ho Ir Si and Yb Ir Si","Zeitschrift fuer Anorganische und Allgemeine Chemie","2001","627","","1787","1792","","","","","","","","","","","","","","","","","","","","","","has coordinates","162733","2020-10-21","18:00:00","" "1535398","6.771","","4.1737","","7.451","","90","","90","","90","","210.566","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- Ho Ir Si -","- Ho Ir Si -","- Ho4 Ir4 Si4 -","4","0.5","","Mishra, R.; Hoffmann, R.D.; Poettgen, R.","Two- and three-dimensional (Ir Si) networks in the silicides Sm3 Ir2 Si2, Ho Ir Si and Yb Ir Si","Zeitschrift fuer Anorganische und Allgemeine Chemie","2001","627","","1787","1792","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00","" "1535401","6.672","","4.1416","","7.428","","90","","90","","90","","205.256","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","Yb Ir Si","","- Ir Si Yb -","- Ir Si Yb -","- Ir4 Si4 Yb4 -","4","0.5","","Mishra, R.; Hoffmann, R.D.; Poettgen, R.","Two- and three-dimensional (Ir Si) networks in the silicides Sm3 Ir2 Si2, Ho Ir Si and Yb Ir Si","Zeitschrift fuer Anorganische und Allgemeine Chemie","2001","627","","1787","1792","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "1535464","4.6235","","4.6235","","8.3087","","90","","90","","90","","177.613","","","","","","","","","","","","","4","P 4/m m m","-P 4 2","123","","Na5 (C O3) (Ni O2)","","- C Na5 Ni O5 -","- C Na5 Ni O5 -","- C Na5 Ni O5 -","1","0.0625","","Moeller, A.","Synthesis, crystal structure, and spectroscopic characterisation of Na5 (Ni O2) (C o3), containing the linear (Ni O2)(3-) group with monovalent nickel","Zeitschrift fuer Anorganische und Allgemeine Chemie","2001","627","","2625","2629","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "1535467","9.5206","","6.9631","","17.108","","90","","93.028","","90","","1132.56","","","","","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","(Co (N H3)6) ((V1.5 P0.5) O6 (O H))","","- Co H19 N6 O7 P0.5 V1.5 -","- Co N6 O7 P0.5 V1.5 -","- Co4 N24 O28 P2 V6 -","4","1","","Boudin, S.; Chardon, J.; Daturi, M.; Raveau, B.","A novel phosphovanadate of Co(III) hexammine: Co (N H3)6 (V1.5 P0.5) O6 O H","Journal of Solid State Chemistry","2001","159","","239","243","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "1535469","21.16","","8.148","","13.278","","90","","113.12","","90","","2105.42","","","","","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","Rb4 (Ti3 (S2)6 S2)","","- Rb4 S14 Ti3 -","- Rb4 S14 Ti3 -","- Rb16 S56 Ti12 -","4","0.5","","Tillinski, R.; Bensch, W.; Rumpf, C.","Syntheses, crystal structures, and properties of new ternary chalcogenides of group 4 metals: Rb4 Ti3 S14, Cs4 Zr3 S14, K4 Hf3 Se14, and K4 Zr Hf2 Se14","Zeitschrift fuer Anorganische und Allgemeine Chemie","2001","627","","1405","1410","","","","","","","","","","","","","","","","","","","","","","has coordinates","162859","2020-10-21","18:00:00","" "1535471","21.979","","8.4703","","13.805","","90","","112.03","","90","","2382.41","","","","","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","Cs4 (Zr3 (S2)6 S2)","","- Cs4 S14 Zr3 -","- Cs4 S14 Zr3 -","- Cs16 S56 Zr12 -","4","0.5","","Tillinski, R.; Rumpf, C.; Bensch, W.","Syntheses, crystal structures, and properties of new ternary chalcogenides of group 4 metals: Rb4 Ti3 S14, Cs4 Zr3 S14, K4 Hf3 Se14, and K4 Zr Hf2 Se14","Zeitschrift fuer Anorganische und Allgemeine Chemie","2001","627","","1405","1410","","","","","","","","","","","","","","","","","","","","","","has coordinates","162863","2020-10-21","18:00:00","" "1535473","22.5507","","8.3872","","13.6012","","90","","111.323","","90","","2396.39","","","","","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","K4 (Hf3 Se14.14)","","- Hf3 K4 Se14.14 -","- Hf3 K4 Se14.14 -","- Hf12 K16 Se56.56 -","4","0.5","","Tillinski, R.; Rumpf, C.; Bensch, W.","Syntheses, crystal structures, and properties of new ternary chalcogenides of group 4 metals: Rb4 Ti3 S14, Cs4 Zr3 S14, K4 Hf3 Se14, and K4 Zr Hf2 Se14","Zeitschrift fuer Anorganische und Allgemeine Chemie","2001","627","","1405","1410","","","","","","","","","","","","","","","","","","","","","","has coordinates","162867","2020-10-21","18:00:00","" "1535477","22.665","","8.3937","","13.6052","","90","","111.382","","90","","2410.15","","","","","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","K4 ((Zr1.019 Hf1.981) Se14.2)","","- Hf1.981 K4 Se14.2 Zr1.019 -","- Hf1.981 K4 Se14.2 Zr1.019 -","- Hf7.924 K16 Se56.8 Zr4.076 -","4","0.5","","Tillinski, R.; Bensch, W.; Rumpf, C.","Syntheses, crystal structures, and properties of new ternary chalcogenides of group 4 metals: Rb4 Ti3 S14, Cs4 Zr3 S14, K4 Hf3 Se14, and K4 Zr Hf2 Se14","Zeitschrift fuer Anorganische und Allgemeine Chemie","2001","627","","1405","1410","","","","","","","","","","","","","","","","","","","","","","has coordinates","162871","2020-10-21","18:00:00","" "1535481","9.602","","9.682","","9.856","","104.78","","107.04","","112.56","","735.595","","","","","","","","","","","","","4","P -1","-P 1","2","","K6 ((Ti6 O S2 (S2)4) S8)","","- K6 O S18 Ti6 -","- K6 O S18 Ti6 -","- K6 O S18 Ti6 -","1","0.5","","Tillinski, R.; Naether, C.; Winkler, B.; Bensch, W.","Synthesis and crystal structure of K6 Ti6 S18 O: a new coordination compound containing discrete Ti6 O units in a chalcogenide environment","Zeitschrift fuer Anorganische und Allgemeine Chemie","2001","627","","2576","2580","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "1535502","14.877","","8.193","","23.616","","90","","93.53","","90","","2873.03","","","","","","","","","","","","","3","P 1 2/c 1","-P 2yc","13","","Cs10 (Si4) (Si3 O9)","","- Cs10 O9 Si7 -","- Cs10 O9 Si7 -","- Cs40 O36 Si28 -","4","1","","Hoffmann, S.; Faessler, T.F.; Hoch, C.; Roehr, C.","Alkali metal tetrelide-tetrelates: ""double salts"" with (E4)(4-) Zintl anions (E = Si, Ge) and the first dimeric cyclotrisilicate ions (Si6 O17)(10-)","Angew. Chem. Int. ed.","2001","40","","4398","4400","","","","","","","","","","","","","","","","","","","","","","has coordinates","162900","2020-10-21","18:00:00","" "1535505","14.606","","7.926","","32.864","","90","","103.57","","90","","3698.36","","","","","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","Rb14 (Si4) (Si6 O17)","","- O17 Rb14 Si10 -","- O17 Rb14 Si10 -","- O68 Rb56 Si40 -","4","1","","Hoffmann, S.; Faessler, T.F.; Hoch, C.; Roehr, C.","Alkali metal tetrelide-tetrelates: ""double salts"" with (E4)(4-) Zintl anions (E = Si, Ge) and the first dimeric cyclotrisilicate ions (Si6 O17)(10-)","Angew. Chem. Int. ed.","2001","40","","4398","4400","","","","","","","","","","","","","","","","","","","","","","has coordinates","162904","2020-10-21","18:00:00","" "1535509","14.554","","7.923","","32.872","","90","","103.5","","90","","3685.78","","","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Rb14 (Ge4) (Si6 O17)","","- Ge4 O17 Rb14 Si6 -","- Ge4 O17 Rb14 Si6 -","- Ge16 O68 Rb56 Si24 -","4","1","","Hoffmann, S.; Faessler, T.F.; Roehr, C.; Hoch, C.","Alkali metal tetrelide-tetrelates: ""double salts"" with (E4)(4-) Zintl anions (E = Si, Ge) and the first dimeric cyclotrisilicate ions (Si6 O17)(10-)","Angew. Chem. Int. ed.","2001","40","","4398","4400","","","","","","","","","","","","","","","","","","","","","","has coordinates","162908","2020-10-21","18:00:00","" "1535513","4.3286","","7.1881","","7.5166","","90","","90","","90","","233.875","","","","","","","","","","","","","3","I m m 2","I 2 -2","44","","U Pt Ge","","- Ge Pt U -","- Ge Pt U -","- Ge4 Pt4 U4 -","4","0.5","","Hoffmann, R.D.; Poettgen, R.; Lander, G.H.; Rebizant, J.","Platinum - germanium ordering in U Pt Ge","Solid State Sciences","2001","3","","697","703","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "1535533","13.5708","","28.116","","4.4147","","90","","90","","90","","1684.46","","","","","","","","","","","","","3","P n n m","-P 2 2n","58","","","","- Cs3 Tb7 Te12 -","- Cs3 Tb7 Te12 -","- Cs6 Tb14 Te24 -","2","0.25","","Tougait, O.; Noel, H.; Ibers, J.A.","Serendipitous syntheses of the series Cs3 Ln7 Te12 (Ln = Sm, Gd, Tb): compounds with large tunnels","Solid State Sciences","2001","3","","513","518","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00","" "1535535","13.6064","","28.209","","4.4324","","90","","90","","90","","1701.26","","","","","","","","","","","","","3","P n n m","-P 2 2n","58","","","","- Cs3 Gd7 Te12 -","- Cs3 Gd7 Te12 -","- Cs6 Gd14 Te24 -","2","0.25","","Tougait, O.; Noel, H.; Ibers, J.A.","Serendipitous syntheses of the series Cs3 Ln7 Te12 (Ln = Sm, Gd, Tb): compounds with large tunnels","Solid State Sciences","2001","3","","513","518","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00","" "1535537","13.259","","28.332","","4.473","","90","","90","","90","","1680.3","","","","","","","","","","","","","3","P n n m","-P 2 2n","58","","","","- Cs3 Sm7 Te12 -","- Cs3 Sm7 Te12 -","- Cs6 Sm14 Te24 -","2","0.25","","Tougait, O.; Ibers, J.A.; Noel, H.","Serendipitous syntheses of the series Cs3 Ln7 Te12 (Ln = Sm, Gd, Tb): compounds with large tunnels","Solid State Sciences","2001","3","","513","518","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00","" "1535550","10.583","","15.209","","10.794","","90","","90","","90","","1737.37","","","","","","","","","","","","","4","P b c n","-P 2n 2ab","60","","Pb (H F) (As F6)2","","- As2 F13 H Pb -","- As2 F13 H Pb -","- As16 F104 H8 Pb8 -","8","1","","Tramsek, M.; Lork, E.; Zemva, B.; Mews, R.","Synthesis and crystal structures of two new lead(II) hexafluoroarsenates(V)","Journal of Fluorine Chemistry","2001","110","","123","131","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "1535554","4.661","","7.237","","7.474","","105.93","","101.49","","90.66","","236.984","","","","","","","","","","","","","3","P -1","-P 1","2","","Pb F (As F6)","","- As F7 Pb -","- As F7 Pb -","- As2 F14 Pb2 -","2","1","","Tramsek, M.; Lork, E.; Mews, R.; Zemva, B.","Synthesis and crystal structures of two new lead(II) hexafluoroarsenates(V)","Journal of Fluorine Chemistry","2001","110","","123","131","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "1535570","32.3219","","4.1715","","17.57039","","90","","112.69","","90","","2185.68","","","","","","","","","","","","","4","C 1 2/m 1","-C 2y","12","","Cs0.65 Pb3.8 Bi11.2 Se21","","- Bi11.2 Cs0.65 Pb3.8 Se21 -","- Bi11.2001 Cs0.646 Pb3.7999 Se21 -","- Bi22.4002 Cs1.292 Pb7.5998 Se42 -","2","0.25","","Mrotzek, A.; Chung, D.-Y.; Ghelani, N.; Kanatzidis, M.G.; Hogan, T.","Structure and thermoelectric properties of the new quaternary bismuth selenides A1-x M4-x Bi11+x Se21 (A= K, Rb, Cs; M= Sn, Pb) - members of the grand homologous series Km (M6 Se8)m (M5+n Se9+n)","Chemistry - A European Journal","2001","7","","1915","1926","","","","","","","","","","","","","","","","","","","","","","has coordinates","162987","2020-10-21","18:00:00","" "1535573","31.883","","4.1863","","17.387","","90","","112.098","","90","","2150.2","","","","","","","","","","","","","4","C 1 2/m 1","-C 2y","12","","K1.46 Pb1.57 Bi12.71 Se21","","- Bi12.71 K1.46 Pb1.57 Se21 -","- Bi12.7136 K1.46 Pb1.5664 Se21 -","- Bi25.4272 K2.92 Pb3.1328 Se42 -","2","0.25","","Mrotzek, A.; Chung, D.-Y.; Hogan, T.; Kanatzidis, M.G.; Ghelani, N.","Structure and thermoelectric properties of the new quaternary bismuth selenides A1-x M4-x Bi11+x Se21 (A = K, Rb, Cs; M = Sn, Pb) - members of the grand homologous series Km (M6 Se8)m (M5+n Se9+n)","Chemistry - A European Journal","2001","7","","1915","1926","","","","","","","","","","","","","","","","","","","","","","has coordinates","162990","2020-10-21","18:00:00","" "1535576","31.91","","4.1462","","17.311","","90","","112.064","","90","","2122.6","","","","","","","","","","","","","4","C 1 2/m 1","-C 2y","12","","K0.54 Sn3.54 Bi11.46 Se21","","- Bi11.46 K0.54 Se21 Sn3.54 -","- Bi11.514 K0.54 Se21 Sn3.58 -","- Bi23.028 K1.08 Se42 Sn7.16 -","2","0.25","","Mrotzek, A.; Chung, D.-Y.; Kanatzidis, M.G.; Hogan, T.; Ghelani, N.","Structure and thermoelectric properties of the new quaternary bismuth selenides A1-x M4-x Bi11+x Se21 (A = K, Rb, Cs; M = Sn, Pb) - members of the grand homologous Series Km (M6 Se8)m (M5+n Se9+n)","Chemistry - A European Journal","2001","7","","1915","1926","","","","","","","","","","","","","","","","","","","","","","has coordinates","162993","2020-10-21","18:00:00","" "1535580","31.991","","4.1937","","17.481","","90","","112.519","","90","","2166.44","","","","","","","","","","","","","4","C 1 2/m 1","-C 2y","12","","Rb0.69 Pb2.48 Bi12.52 Se21","","- Bi12.52 Pb2.48 Rb0.69 Se21 -","- Bi12.5224 Pb2.4776 Rb0.688 Se21 -","- Bi25.0448 Pb4.9552 Rb1.376 Se42 -","2","0.25","","Mrotzek, A.; Hogan, T.; Ghelani, N.; Chung, D.-Y.; Kanatzidis, M.G.","Structure and thermoelectric properties of the new quaternary bismuth selenides A1-x M4-x Bi11+x Se21 (A = K, Rb, Cs; M = Sn, Pb) - members of the grand homologous series Km (M6 Se8)m (M5+n Se9+n)","Chemistry - A European Journal","2001","7","","1915","1926","","","","","","","","","","","","","","","","","","","","","","has coordinates","162997","2020-10-21","18:00:00","" "1535596","5.444","","5.444","","17.25","","90","","90","","90","","511.241","","","","","","","","","","","","","3","I 4/m m m","-I 4 2","139","","Rb4 Br2 O","","- Br2 O Rb4 -","- Br2 O Rb4 -","- Br4 O2 Rb8 -","2","0.0625","","Mudring, A.V.; Jansen, M.","Darstellung und Kristallstruktur von Rb4 Br2 O und Rb6 Br4 O","Zeitschrift fuer Anorganische und Allgemeine Chemie","2001","627","","1606","1610","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "1535600","13.078","","13.078","","16.466","","90","","90","","120","","2438.94","","","","","","","","","","","","","3","R -3 c :H","-R 3 2""c","167","","Rb6 Br4 O","","- Br4 O Rb6 -","- Br4 O Rb6 -","- Br24 O6 Rb36 -","6","0.166667","","Mudring, A.V.; Jansen, M.","Darstellung und Kristallstruktur von Rb4 Br2 O und Rb6 Br4 O","Zeitschrift fuer Anorganische und Allgemeine Chemie","2001","627","","1606","1610","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "1535609","9.055","","4.635","","11.908","","90","","90","","90","","499.778","","","","","","","","","","","","","5","P n a 21","P 2c -2n","33","","Rb (H2 P O4) (H F)","","- F H3 O4 P Rb -","- F H3 O4 P Rb -","- F4 H12 O16 P4 Rb4 -","4","1","","Troyanov, S.I.; Snigireva, E.M.; Feist, M.; Kemnitz, E.","Kristallstruktur und thermisches Verhalten von Metalldihydrogenphosphat-H F-Addukten M H2 P O4 * H F (M= K, Rb, Cs) mit Wasserstoffbindungen vom Typ F-H...O","Zeitschrift fuer Anorganische und Allgemeine Chemie","2001","627","","1687","1692","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "1535610","7.859","","9.515","","14.744","","90","","90","","90","","1102.53","","","","","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Cs (H2 P O4) (H F)","","- Cs F H3 O4 P -","- Cs F H3 O4 P -","- Cs8 F8 H24 O32 P8 -","8","1","","Troyanov, S.I.; Snigireva, E.M.; Feist, M.; Kemnitz, E.","Kristallstruktur und thermisches Verhalten von Metalldihydrogenphosphat-H F-Addukten M H2 P O4 * H F (M= K, Rb, Cs) mit Wasserstoffbindungen vom Typ F-H...O","Zeitschrift fuer Anorganische und Allgemeine Chemie","2001","627","","1687","1692","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "1535622","20.2727","","22.6297","","25.884","","68.33","","85.21","","85.52","","10982.6","","","","","","","","","","","","","5","P -1","-P 1","2","","K16.5 (Eu2 P W10 O38)4 (W3 O14) O40","","- Eu8 K16.5 O206 P4 W43 -","- Eu8 K16.5 O206 P4 W43 -","- Eu16 K33 O412 P8 W86 -","2","1","","Howell, R.C.; Perez, F.G.; Francesconi, L.C.; Jain, S.; Horrocks, W de W.; Rheingold, A.","The self assembly of a supramolecular cluster from lacunary polytungstate units and yttrium cations","Angew. Chem. Int. ed.","2001","40","","4031","4034","","","","","","","","","","","","","","","","","","","","","","has coordinates","163056","2020-10-21","18:00:00","" "1535624","22.236","","34.264","","26.698","","90","","96.271","","90","","20219.3","","","","","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","K15 Na6 (H3 O)9 ((P Y2 W10 O38)4 (W3 O14)) (H2 O)10","","- H47 K15 Na6 O185 P4 W43 Y8 -","- K15 Na6 O185 P4 W43 Y8 -","- K60 Na24 O740 P16 W172 Y32 -","4","0.5","","Howell, R.C.; Perez, F.G.; Francesconi, L.C.; Horrocks, W.D.W.jr.; Jain, S.; Rheingold, A.L.","A new type of heteropolyoxometalates formed from lacunary polyoxotungstate ions and europium or yttrium cations","Angew. Chem. Int. ed.","2001","40","","4031","4034","","","","","","","","","","","","","","","","","","","","","","has coordinates","163060","2020-10-21","18:00:00","" "1535638","30.49","","49.58","","29.112","","90","","96.639","","90","","43713.3","","","","","","","","","","","","","4","C 1 2/m 1","-C 2y","12","","Cu5 (Mo142 O431) (H2 O)315","","- Cu5 H630 Mo142 O746 -","- Cu5.058 Mo142 O746 -","- Cu10.116 Mo284 O1492 -","2","0.25","","Mueller, A.; Krickemeyer, E.; Koegerler, P.; Boegge, H.; Schmidtmann, M.; Beckmann, E.; Rosu, C.","Nanoobjects by self-assembly concomitant with modifications under alterable boundary conditions: Incorporation of paramagnetic metal centers (Cu2+) in ring-shaped molybdenum-oxide based clusters","Angewandte Chemie (Edition international)","2001","40","","4034","4037","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "1535805","11.059","","11.059","","20.346","","90","","90","","120","","2154.97","","","","","","","","","","","","","3","R -3 :H","-R 3","148","","","","- Ba4 Er3 F17 -","- Ba4 Er3 F17.0001 -","- Ba24 Er18 F102.001 -","6","0.333333","","Tyagi, A.K.; Koehler, J.","Preparation and structural elucidation of the new anion-excess fluorite variant Ba4 Er3 F17","Solid State Sciences","2001","3","","689","695","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00","" "1535812","16.932","","9.13","","7.124","","90","","90","","90","","1101.29","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","(Ta Cl5) (S O Cl2)","","- Cl7 O S Ta -","- Cl7 O S Ta -","- Cl28 O4 S4 Ta4 -","4","0.5","","Calderazzo, F.; Pampaloni, G.; d'Attoma, M.; Troyanov, S.I.","Reactions of chalcogen oxide chlorides E O Cl2 (E = S, Se) with group 5 metal chlorides","Zeitschrift fuer Anorganische und Allgemeine Chemie","2001","627","","180","185","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "1535833","8.36518","","6.46898","","7.21266","","90","","90","","90","","390.307","","","","","","","","","","","","","3","P b c m","-P 2c 2b","57","","K (N (C N)2)","","- C2 K N3 -","- C2 K N3 -","- C8 K4 N12 -","4","0.5","","Irran, E.; Juergens, B.; Schnick, W.","Trimerization of alkali dicyanamides M (N (C N)2) and formation of tricyanomelaminates M3 (C6 N9) (M= K, Rb) in the melt: Crystal structure determination of three polymorphs of K (N (C N)2), two of Rb (N (C N)2), and one of K3 (C6 N9) and Rb3 (C6 N9) from X-ray powder diffractometry","Chemistry - A European Journal","2001","7","","5372","5381","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "1535837","7.26924","","15.96335","","3.87037","","90","","111.878","","90","","416.777","","","","","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","K (N (C N)2)","","- C2 K N3 -","- C2 K N3 -","- C8 K4 N12 -","4","1","","Irran, E.; Juergens, B.; Schnick, W.","Trimerization of alkali dicyanamides M (N (C N)2) and formation of tricyanomelaminates M3 (C6 N9) (M= K, Rb) in the melt: Crystal structure determination of three polymorphs of K (N (C N)2), two of Rb (N (C N)2), and one of K3 (C6 N9) and Rb3 (C6 N9) from X-ray powder diffractometry","Chemistry - A European Journal","2001","7","","5372","5381","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "1535841","8.55404","","3.87802","","12.5273","","90","","90","","90","","415.565","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","K (N (C N)2)","","- C2 K N3 -","- C2 K N3 -","- C8 K4 N12 -","4","0.5","","Irran, E.; Juergens, B.; Schnick, W.","Trimerization of alkali dicyanamides M (N (C N)2) and formation of tricyanomelaminates M3 (C6 N9) (M= K, Rb) in the melt: Crystal structure determination of three polymorphs of K (N (C N)2), two of Rb (N (C N)2), and one of K3 (C6 N9) and Rb3 (C6 N9) from X-ray powder diffractometry","Chemistry - A European Journal","2001","7","","5372","5381","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "1535845","3.73823","","11.9248","","25.0044","","90","","101.406","","90","","1092.62","","","","","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","K3 ((C3 N6) (C N)3)","","- C6 K3 N9 -","- C6 K3 N9 -","- C24 K12 N36 -","4","1","","Irran, E.; Juergens, B.; Schnick, W.","Trimerization of alkali dicyanamides M (N (C N)2) and formation of tricyanomelaminates M3 (C6 N9) (M= K, Rb) in the melt: Crystal structure determination of three polymorphs of K (N (C N)2), two of Rb (N (C N)2), and one of K3 (C6 N9) and Rb3 (C6 N9) from X-ray powder diffractometry","Chemistry - A European Journal","2001","7","","5372","5381","","","","","","","","","","","","","","","","","","","","","","has coordinates","163332","2020-10-21","18:00:00","" "1535848","8.56092","","6.61711","","7.65067","","90","","90","","90","","433.399","","","","","","","","","","","","","3","P b c m","-P 2c 2b","57","","Rb (N (C N)2)","","- C2 N3 Rb -","- C2 N3 Rb -","- C8 N12 Rb4 -","4","0.5","","Irran, E.; Juergens, B.; Schnick, W.","Trimerization of alkali dicyanamides M (N (C N)2) and formation of tricyanomelaminates M3 (C6 N9) (M= K, Rb) in the melt: Crystal structure determination of three polymorphs of K (N (C N)2), two of Rb (N (C N)2), and one of K3 (C6 N9) and Rb3 (C6 N9) from X-ray powder diffractometry","Chemistry - A European Journal","2001","7","","5372","5381","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "1535851","13.8156","","10.00018","","14.43275","","90","","116.896","","90","","1778.31","","","","","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","Rb (N (C N)2)","","- C2 N3 Rb -","- C2 N3 Rb -","- C32 N48 Rb16 -","16","2","","Irran, E.; Juergens, B.; Schnick, W.","Trimerization of alkali dicyanamides M (N (C N)2) and formation of tricyanomelaminates M3 (C6 N9) (M= K, Rb) in the melt: Crystal structure determination of three polymorphs of K (N (C N)2), two of Rb (N (C N)2), and one of K3 (C6 N9) and Rb3 (C6 N9) from X-ray powder diffractometry","Chemistry - A European Journal","2001","7","","5372","5381","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "1535855","3.89927","","12.2606","","25.4745","","90","","98.741","","90","","1203.72","","","","","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","Rb3 (C6 N9)","","- C6 N9 Rb3 -","- C6 N9 Rb3 -","- C24 N36 Rb12 -","4","1","","Irran, E.; Juergens, B.; Schnick, W.","Trimerization of alkali dicyanamides M (N (C N)2) and formation of tricyanomelaminates M3 (C6 N9) (M= K, Rb) in the melt: Crystal structure determination of three polymorphs of K (N (C N)2), two of Rb (N (C N)2), and one of K3 (C6 N9) and Rb3 (C6 N9) from X-ray powder diffractometry","Chemistry - A European Journal","2001","7","","5372","5381","","","","","","","","","","","","","","","","","","","","","","has coordinates","163344","2020-10-21","18:00:00","" "1535886","15.913","","16.216","","20.315","","76.976","","80.328","","65.571","","4633.54","","","","","","","","","","","","","6","P -1","-P 1","2","","K12 H3 (Er2 (H2 O)2 (Sb W9 O33) (W5 O18)2) (H2 O)21","","- Er2 H49 K12 O92 Sb W19 -","- Er2 K12 O92 Sb W19 -","- Er4 K24 O184 Sb2 W38 -","2","1","","Naruke, Haruo; Yamase, Toshihiro","Synthesis and structure of Ln(W~5~O~18~)-capped mixed-ligand polyoxotungstolanthanoate [Ln(W~5~O~18~){Ln(H~2~O)~2~(SbW~9~O~33~)(W~5~O~18~)}]^15-^ (Ln = Sm and Er)","Bulletin of the Chemical Society of Japan","2001","74","7","1289","1294","10.1246/bcsj.74.1289","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "1535889","16.356","","16.995","","19.966","","76.967","","86.031","","64.398","","4873.6","","","","","","","","","","","","","6","P -1","-P 1","2","","K13 H2 (Sm2 (H2 O)2 (Sb W9 O33) (W5 O18)2) (H2 O)26.5","","- H59 K13 O97.5 Sb Sm2 W19 -","- K13 O97.5 Sb Sm2 W19 -","- K26 O195 Sb2 Sm4 W38 -","2","1","","Naruke, Haruo; Yamase, Toshihiro","Synthesis and structure of Ln(W~5~O~18~)-capped mixed-ligand polyoxotungstolanthanoate [Ln(W~5~O~18~){Ln(H~2~O)~2~(SbW~9~O~33~)(W~5~O~18~)}]^15-^ (Ln = Sm and Er)","Bulletin of the Chemical Society of Japan","2001","74","7","1289","1294","10.1246/bcsj.74.1289","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "1535921","23.031","","14.72","","14.4097","","90","","105.174","","90","","4714.81","","","","","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","Eu4 (Mo7 O27)","","- Eu4 Mo7 O27 -","- Eu4 Mo7 O27 -","- Eu32 Mo56 O216 -","8","1","","Naruke, H.; Yamase, T.","Crystallization and structural characterization of two europium molybdates, Eu4 Mo7 O27 and Eu6 Mo10 O39","Journal of Solid State Chemistry","2001","161","","85","92","","","","","","","","","","","","","","","","","","","","","","has coordinates","163428","2020-10-21","18:00:00","" "1535926","12.3008","","19.65959","","13.7691","","90","","100.893","","90","","3269.77","","","","","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","Eu6 (Mo10 O39)","","- Eu6 Mo10 O39 -","- Eu6 Mo10 O39 -","- Eu24 Mo40 O156 -","4","0.5","","Naruke, H.; Yamase, T.","Crystallization and structural characterization of two europium molybdates, Eu4 Mo7 O27 and Eu6 Mo10 O39","Journal of Solid State Chemistry","2001","161","","85","92","","","","","","","","","","","","","","","","","","","","","","has coordinates","163433","2020-10-21","18:00:00","" "1535978","4.0882","","4.0882","","10.1696","","90","","90","","90","","169.968","","","","","","","","","","","","","3","I 4/m m m","-I 4 2","139","","","","- Ce Ir2 Si2 -","- Ce Ir2 Si2 -","- Ce2 Ir4 Si4 -","2","0.0625","","Niepmann, D.; Poettgen, R.","A single crystal study of alpha-(Ce Ir2 Si2), beta-(Ce Ir2 Si2) and Ce Ir1.968(5) Ge2","Intermetallics","2001","9","","313","318","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00","" "1535982","4.2395","","4.2395","","10.101","","90","","90","","90","","181.549","","","","","","","","","","","","","3","P 4/n m m :2","-P 4a 2a","129","","Ce Ir1.968 Ge2","","- Ce Ge2 Ir1.968 -","- Ce Ge2 Ir1.968 -","- Ce2 Ge4 Ir3.936 -","2","0.125","","Niepmann, D.; Poettgen, R.","A single crystal study of alpha-(Ce Ir2 Si2), beta-(Ce Ir2 Si2) and Ce Ir1.968(5) Ge2","Intermetallics","2001","9","","313","318","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "1536065","12.377","","13.8594","","7.477","","90","","120.133","","90","","1109.26","","","","","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","Rb2 (C O3) (H2 O)1.5","","- C H3 O4.5 Rb2 -","- C H3 O4.5 Rb2 -","- C8 H24 O36 Rb16 -","8","1","","Cirpus, V.; Wittrock, J.; Adam, A.","Carbonat-Hydrate der schweren Alkalimetalle: Darstellung und Struktur von (Rb2 C O3) * 1,5(H2 )O und (Cs2 C O3) *3(H2 O)","Zeitschrift fuer Anorganische und Allgemeine Chemie","2001","627","","533","538","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "1536069","6.545","","6.7906","","8.864","","90","","90.708","","90","","393.926","","","","","","","","","","","","","4","P 1 2/c 1","-P 2yc","13","","Cs2 (C O3) (H2 O)3","","- C H6 Cs2 O6 -","- C H6 Cs2 O6 -","- C2 H12 Cs4 O12 -","2","0.5","","Cirpus, V.; Wittrock, J.; Adam, A.","Carbonat-Hydrate der schweren Alkalimetalle: Darstellung und Struktur von Rb2 C O3 * 1.5(H2 O) und Cs2 C O3 * 3(H2 O)","Zeitschrift fuer Anorganische und Allgemeine Chemie","2001","627","","533","538","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "1536074","13.9244","","13.9244","","14.866","","90","","90","","120","","2496.19","","","","","","","","","","","","","3","R -3 :H","-R 3","148","","V8 Ga38.9 Zn2.1","","- Ga38.9 V8 Zn2.1 -","- Ga38.9 V8 Zn2.1 -","- Ga116.7 V24 Zn6.3 -","3","0.166667","","Viklund, P.; Haeussermann, U.; Hull, S.; Svensson, C.; Berastegui, P.; Simak, S.I.","The compounds V8 Ga36.9 Zn4.1, Cr8 Ga29.8 Zn11.2 and Mn8 Ga27.4 Zn13.6: A remarkable segregation of Zn and Ga in an intermetallic framework","Chemistry - A European Journal","2001","7","","5143","5152","","","","","","","","","","","","","","","","","","","","","","has coordinates","163659","2020-10-21","18:00:00","" "1536078","13.9351","","13.9351","","14.8828","","90","","90","","120","","2502.85","","","","","","","","","","","","","2","R -3 :H","-R 3","148","","","","- Ga41 V8 -","- Ga41 V8 -","- Ga123 V24 -","3","0.166667","","Viklund, P.; Svensson, C.; Haeussermann, U.; Simak, S.I.; Hull, S.; Berastegui, P.","The compounds V8 Ga36.9 Zn4.1, Cr8 Ga29.8 Zn11.2 and Mn8 Ga27.4 Zn13.6: A remarkable segregation of Zn and Ga in an intermetallic framework","Chemistry - A European Journal","2001","7","","5143","5152","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00","" "1536079","6.695","","14.6404","","7.1709","","90","","90","","90","","702.874","","","","","","","","","","","","","4","C m c m","-C 2c 2","63","","Cs2 (Te O F4)","","- Cs2 F4 O Te -","- Cs2 F4 O Te -","- Cs8 F16 O4 Te4 -","4","0.25","","Jansen, M.; Kessler, U.","Kristallstruktur von Caesiumtetrafluorooxotellurat(IV) Cs2TeOF4","Zeitschrift fuer Anorganische und Allgemeine Chemie","2001","627","","151","154","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "1536081","13.7153","","13.7153","","14.6872","","90","","90","","120","","2392.66","","","","","","","","","","","","","3","R -3 :H","-R 3","148","","","","- Cr8 Ga29.8 Zn11.2 -","- Cr8 Ga29.69 Zn11.31 -","- Cr24 Ga89.07 Zn33.93 -","3","0.166667","","Viklund, P.; Simak, S.I.; Svensson, C.; Hull, S.; Berastegui, P.; Haeussermann, U.","The compounds V8 Ga36.9 Zn4.1, Cr8 Ga29.8 Zn11.2 and Mn8 Ga27.4 Zn13.6: A remarkable segregation of Zn and Ga in an intermetallic framework","Chemistry - A European Journal","2001","7","","5143","5152","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00","" "1536116","13.11","","13.22","","15.05","","106.87","","114.32","","104.95","","2050.46","","","","","","","","","","","","","6","P -1","-P 1","2","","Na8 ((O H)3 O (Sb O3) ((H2 O) Zn) (W17 O52)) (H2 O)36","","- H77 Na8 O96 Sb W17 Zn -","- Na8 O96 Sb W17 Zn -","- Na8 O96 Sb W17 Zn -","1","0.5","","Jeannin, Y.","Synthese et etude structurale d'un nouvel heteropolytungstate substitue: Na8 (H3 X(III) M(II) W17 O59 (H2 O)) * 36 (H2 O) (X=Sb(III) ,Bi(III) et M= Mn(2+), Co(2+), Ni(2+), Cu(2+), Zn(2+)) de structure identique a celle de (H2 X(III) W18 O60)(7-) (X= AS, BI)","C.R. Acad. Sci. Paris, T. 1, Serie II","2001","4","","683","690","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "1536120","13.16","","13.282","","14.378","","112.45","","104.24","","105.05","","2068.51","","","","","","","","","","","","","6","P -1","-P 1","2","","Na8 ((O H)3 O (Sb O3) ((H2 O) Mn) (W17 O52)) (H2 O)36","","- H77 Mn Na8 O96 Sb W17 -","- Mn Na8 O96 Sb W17 -","- Mn Na8 O96 Sb W17 -","1","0.5","","Jeannin, Y.","Synthese et etude structurale d'un nouvel heteropolytungstate substitue: Na8 (H3 X(III) M(II) W17 O59 (H2 O)) * 36 (H2 O) (X=Sb(III) ,Bi(III) et M= Mn(2+), Co(2+), Ni(2+), Cu(2+), Zn(2+)) de structure identique a celle de (H2 X(III) W18 O60)(7-) (X= AS, BI)","C.R. Acad. Sci. Paris, T. 1, Serie II","2001","4","","683","690","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "1536124","13.124","","13.27","","15.043","","106.92","","114.31","","105.06","","2056.27","","","","","","","","","","","","","6","P -1","-P 1","2","","Na8 ((O H)3 O (Sb O3) ((H2 O) Co) (W17 O52)) (H2 O)36","","- Co H77 Na8 O96 Sb W17 -","- Co Na8 O96 Sb W17 -","- Co Na8 O96 Sb W17 -","1","0.5","","Jeannin, Y.","Synthese et etude structurale d'un nouvel heteropolytungstate substitue: Na8 (H3 X(III) M(II) W17 O59 (H2 O)) * 36 (H2 O) (X= Sb(III) ,Bi(III) et M= Mn(2+), Co(2+), Ni(2+), Cu(2+), Zn(2+)) de structure identique a celle de (H2 X(III) W18 O60)(7-) (X= AS, BI)","C.R. Acad. Sci. Paris, T. 1, Serie II","2001","4","","683","690","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "1536146","8.146","","8.146","","5.68","","90","","90","","120","","326.413","","","","","","","","","","","","","3","P 63/m c m","-P 6c 2","193","","Bi3 Ti4.59 Zn","","- Bi3.0764 Ti4.5906 Zn0.958 -","- Bi3.0764 Ti4.5906 Zn0.958 -","- Bi6.1528 Ti9.1812 Zn1.916 -","2","0.0833333","","Jeitschko, W.; Kaiser, J.W.; Haase, M.G.","A Variety of Different Occupancies in Isotypic Compounds: Ternary Antimonides and Bismuthides with the Ideal Formulas T5T'Sb3 and T5T'Bi3 (T = Ti, Zr, Hf: T' = Late Transition Metals) and the Binary Antimonide Ti4.80Sb3.29, All Crystallizing with ""Filled"" Mn5Si3 (Hf5CuSn3) Type Structure and Structure Refinement of Ti5Sb2.85 with beta- Yb5Sb3 Type Structure","Zeitschrift fuer Anorganische und Allgemeine Chemie","2001","627","","10","2369","","","","","","","","","","","","","","","","","","","","","","has coordinates","163751","2020-10-21","18:00:00","" "1536151","16.219","","16.219","","3.8778","","90","","90","","120","","883.414","","","","","","","","","","","","","3","P -6","P -6","174","","Tm12.57 Ni25.22 As19","","- As19 Ni25.22 Tm12.57 -","- As19 Ni25.225 Tm12.565 -","- As19 Ni25.225 Tm12.565 -","1","0.166667","","Jeitschko, W.; Terbuechte, L.J.; Rodewald, U.C.","Preparation and crystal structure of the ternary lanthanoid nickel arsenides Ln13 Ni25 As19 (Ln = Tm, Yb, and Lu)","Zeitschrift fuer Anorganische und Allgemeine Chemie","2001","627","","2095","2099","","","","","","","","","","","","","","","","","","","","","","has coordinates","163756","2020-10-21","18:00:00","" "1536189","10.258","","8.26","","12.981","","90","","90","","90","","1099.89","","","","","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","K2 (V O) (Si4 O10) (H2 O)","","- H2 K2 O12 Si4 V -","- K1.98 O12 Si4 V -","- K7.92 O48 Si16 V4 -","4","0.5","","Wang, X.-Q.; Liu, L.-M.; Jacobson, A.J.","The novel open-framework vanadium silicates K2 (V O) (Si4 O10) * (H2 O) (VSH-1) and Cs2 (VO) (Si6 O14) * 3(H2 O) (VSH-2)","Angew. Chem. Int. ed.","2001","40","","2174","2176","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "1536192","17.051","","8.663","","12.3844","","90","","90","","90","","1829.33","","","","","","","","","","","","","5","C m c a","-C 2ac 2","64","","Cs2 (V O) (Si6 O14) (H2 O)3","","- Cs2 H6 O18 Si6 V -","- Cs2 O18 Si6 V -","- Cs8 O72 Si24 V4 -","4","","","Wang, X.-Q.; Liu, L.-M.; Jacobson, A.J.","The novel open-framework vanadium silicates K2 (V O) (Si4 O10) * (H2 O) (VSH-1) and Cs2 (V O) (Si6 O14) * 3(H2 O) (VSH-2)","Angew. Chem. Int. ed.","2001","40","","2174","2176","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "1536235","7.4637","","7.4637","","11.57","","90","","90","","90","","644.528","","","","","","","","","","","","","5","P -4 21 c","P -4 2n","114","","Na5 (Sc (C O3)4) (H2 O)2","","- C4 H4 Na5 O14 Sc -","- C4 H4 Na5 O14 Sc -","- C8 H8 Na10 O28 Sc2 -","2","0.25","","Dahm, M.; Adam, A.","Ab-initio-Berechnung des Tetracarbonatoscandat-Ions Na5 (Sc (C O3)4) * 2(H2 O). Einkristallstrukturbestimmung, Schwingungsspektren und thermischer Abbau","Zeitschrift fuer Anorganische und Allgemeine Chemie","2001","627","","2023","2031","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "1536236","4.978","","5.0095","","15.67","","90","","90","","90","","390.767","","","","","","","","","","","","","3","C m c m","-C 2c 2","63","","Lu3 B C3","","- C3 B Lu3 -","- C3 B Lu3 -","- C12 B4 Lu12 -","4","0.25","","Oeckler, O.; Jardin, C.; Mattausch, H.J.; Bauer, J.; Simon, A.; Halet, J.F.; Saillard, J.Y.","Synthesis, characterization, structural and theoretical analysis of a new rare-earth boride carbide: Lu3 B C3","Zeitschrift fuer Anorganische und Allgemeine Chemie","2001","627","","1389","1394","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "1536239","8.59","","8.59","","12.398","","90","","90","","90","","914.825","","","","","","","","","","","","","3","P 4/n c c :2","-P 4a 2ac","130","","La5 B1.764 C6.156","","- C6.156 B1.764 La5 -","- C6.156 B1.764 La5 -","- C24.624 B7.056 La20 -","4","0.25","","Oeckler, O.; Bauer, J.; Mattausch, H.J.; Simon, A.","Ueber die Kristallstruktur der Phase La5 B2 C6","Zeitschrift fuer Anorganische und Allgemeine Chemie","2001","627","","779","788","","","","","","","","","","","","","","","","","","","","","","has coordinates","163876","2020-10-21","18:00:00","" "1536281","13.272","","7.558","","22.4719","","90","","98.56","","90","","2229.04","","","","","","","","","","","","","4","C 1 2/m 1","-C 2y","12","","(Hg11 As4) (Ga Br4)4","","- As4 Br16 Ga4 Hg11 -","- As4 Br16 Ga4 Hg11 -","- As8 Br32 Ga8 Hg22 -","2","0.25","","Olenev, A.V.; Shevel'kov, A.V.","The (Hg3)(2+) group as a framework unit in a host-guest compound: (Hg11 As4) (Ga Br4)4","Angew. Chem. Int. ed.","2001","40","","2353","2354","","","","","","","","","","","","","","","","","","","","","","has coordinates","163938","2020-10-21","18:00:00","" "1536316","7.0637","","10.1308","","6.7745","","90","","90","","90","","484.79","","","","","","","","","","","","Synthetic","5","I m m a","-I 2b 2","74","","Mg Al F5 (H2 O)2","Leonardsenite","- Al F5 H4 Mg O2 -","- Al F5 H4 Mg O2 -","- Al4 F20 H16 Mg4 O8 -","4","0.25","","Weil, M.; Werner, F.","The thermal dehydration of magnesium aluminum pentafluoride dihydrate: crystal structures of Mg Al F5 (H2 O) and Mg Al F5","Monatshefte fuer Chemie und verwandte Teile anderer Wissenschaften (109,1978-)","2001","132","","769","777","","","","","","","","","","","","","","","","","","","","","","has coordinates","282068","2023-03-26","10:12:03","" "1536326","8.151","","8.151","","5.537","","90","","90","","120","","318.586","","","","","","","","","","","","","3","P 63/m c m","-P 6c 2","193","","Ti4.88 Zn Sb3","","- Sb3 Ti4.88 Zn -","- Sb3 Ti4.877 Zn -","- Sb6 Ti9.754 Zn2 -","2","0.0833333","","Kaiser, J.W.; Haase, M.G.; Jeitschko, W.","A variety of different occupancies in isotypic compounds: Ternary antimonides and bismuthides with the ideal formulas T5 T' Sb3 and T5 T' Bi3 (T= Ti, Zr, Hf: T'= late transition metals) and the binary antimonide Ti4.8 Sb3.29, all cryst..","Zeitschrift fuer Anorganische und Allgemeine Chemie","2001","627","","2369","2376","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "1536328","8.088","","8.088","","5.557","","90","","90","","120","","314.813","","","","","","","","","","","","","3","P 63/m c m","-P 6c 2","193","","Ti4.73 Pt0.65 Sb3","","- Pt0.65 Sb3 Ti4.73 -","- Pt0.651 Sb3 Ti4.726 -","- Pt1.302 Sb6 Ti9.452 -","2","0.0833333","","Kaiser, J.W.; Haase, M.G.; Jeitschko, W.","A variety of different occupancies in isotypic compounds: Ternary antimonides and bismuthides with the ideal formulas T5 T' Sb3 and T5 T' Bi3 (T= Ti, Zr, Hf: T'= late transition metals) and the binary antimonide Ti4.8 Sb3.29, all cryst..","Zeitschrift fuer Anorganische und Allgemeine Chemie","2001","627","","2369","2376","","","","","","","","","","","","","","","","","","","","","","has coordinates","164000","2020-10-21","18:00:00","" "1536331","10.22","","8.329","","7.14","","90","","90","","90","","607.774","","","","","","","","","","","","","2","P n m a","-P 2ac 2n","62","","Ti5 Sb2.85","","- Sb2.85 Ti5 -","- Sb2.83 Ti5 -","- Sb11.32 Ti20 -","4","0.5","","Kaiser, J.W.; Haase, M.G.; Jeitschko, W.","A variety of different occupancies in isotypic compounds: Ternary antimonides and bismuthides with the ideal formulas T5 T' Sb3 and T5 T' Bi3 (T= Ti, Zr, Hf: T'= late transition metals) and the binary antimonide Ti4.8 Sb3.29, all cryst..","Zeitschrift fuer Anorganische und Allgemeine Chemie","2001","627","","2369","2376","","","","","","","","","","","","","","","","","","","","","","has coordinates","164004","2020-10-21","18:00:00","" "1536336","3.7781","","11.5642","","8.8796","","90","","90","","90","","387.956","","","","","","","","","","","","","3","C m c m","-C 2c 2","63","","Zr6 S1.09 Te2","","- S1.09 Te2 Zr6 -","- S1.09 Te2 Zr6 -","- S2.18 Te4 Zr12 -","2","0.125","","Orlygsson, G.; Conrad, M.; Harbrecht, B.","Zr6 S Te2 - ein zirconiumreiches Sulfidtellurid mit einer (Zr3 Te)-Teilstruktur von (Re3 B)-Typ","Zeitschrift fuer Anorganische und Allgemeine Chemie","2001","627","","1017","1022","","","","","","","","","","","","","","","","","","","","","","has coordinates","164010","2020-10-21","18:00:00","" "1536344","7.4488","","12.4714","","14.1411","","90","","90","","90","","1313.67","","","","","","","","","","","","","3","C c c a :2","-C 2a 2ac","68","","Sr5 Al2 F16","","- Al2 F16 Sr5 -","- Al2 F16 Sr5 -","- Al8 F64 Sr20 -","4","0.25","","Weil, M.","Preparation and crystal structure of the strontium aluminium fluoride Sr5 Al2 F16","Zeitschrift fuer Anorganische und Allgemeine Chemie","2001","627","","2669","2672","","","","","","","","","","","","","","","","","","","","","","has coordinates","164018","2020-10-21","18:00:00","" "1536348","7.4622","","12.5647","","14.1041","","90","","90","","90","","1322.41","","","","","","","","","","","","","4","C c c a :2","-C 2a 2ac","68","","Sr5 Al2 F16 O0.65","","- Al2 F16 O0.65 Sr5 -","- Al2 F16 O0.647 Sr5 -","- Al8 F64 O2.588 Sr20 -","4","0.25","","Weil, M.","Synthesis and crystal structure of Sr5 Al2 F16","Zeitschrift fuer Anorganische und Allgemeine Chemie","2001","627","","2669","2672","","","","","","","","","","","","","","","","","","","","","","has coordinates","164022","2020-10-21","18:00:00","" "1536387","4.482","","16.895","","7.221","","90","","90","","90","","546.799","","","","","","","","","","","","","3","C m c m","-C 2c 2","63","","La Ni In4","","- In4 La Ni -","- In4 La Ni -","- In16 La4 Ni4 -","4","0.25","","Kal'ichak, Ya.M.; Zaremba, V.I.; Galadzhun, Ya.V.; Miliyanchuk, Kh.Yu.; Hoffmann, R.D.; Poettgen, R.","New [Ni7] Cluster in LaNi7In6 and Distorted bcc Indium Cubes in LaNiIn4","Chemistry - A European Journal","2001","7","","5343","5349","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "1536390","8.066","","9.248","","12.465","","90","","90","","90","","929.819","","","","","","","","","","","","","3","I b a m","-I 2 2c","72","","La Ni7.36 In5.64","","- In5.64 La Ni7.36 -","- In5.64 La Ni7.36 -","- In22.56 La4 Ni29.44 -","4","0.25","","Kal'ichak, Ya.M.; Zaremba, V.I.; Galadzhun, Ya.V.; Miliyanchuk, Kh.Yu.; Hoffmann, R.D.; Poettgen, R.","New [Ni7] Cluster in LaNi7In6 and Distorted bcc Indium Cubes in LaNiIn4","Chemistry - A European Journal","2001","7","","5343","5349","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "1536438","7.387","","8.104","","10.184","","90","","90","","90","","609.658","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","(N H4) (S O3 N (O) N O)","","- H4 N3 O5 S -","- H4 N3 O5 S -","- H16 N12 O20 S4 -","4","0.5","","Keefer, L. K.; Flippen-Anderson, J. L.; George, C.; Shanklin A. P.; Dunams, T. M.; Christodoulou, D.; Saavedra, J. E.; Sagan, E. S.; Bohle, D. S.","Chemistry of the Diazeniumdiolates I. Structural and Spectral Characteristics of the [N(O)NO]^-^ Functional Group","Nitric Oxide","2001","5","4","377","394","10.1006/niox.2001.0359","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "1536448","8.2719","","9.603","","11.3531","","92.01","","102.646","","114.06","","795.644","","","","","","","","","","","","","6","P -1","-P 1","2","","Na3 (Fe (N H3) (C N)5) (H2 O)7","","- C5 H17 Fe N6 Na3 O7 -","- C5 H17 Fe N6 Na3 O7 -","- C10 H34 Fe2 N12 Na6 O14 -","2","1","","Parise, A.R; Castellano, E.E.; Piro, O.E.; Olabe, J.A.","The crystal and molecular structure of sodium pentacyanoammineferrate(II) heptahydrate. Role of intermolecular hydrogen-bond interactions","Inorganica Chimica Acta","2001","319","","199","202","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "1536501","15.0402","","8.8446","","8.8017","","90","","101.926","","90","","1145.57","","","","","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","Ba4 Si3 Br2","","- Ba4 Br2 Si3 -","- Ba4 Br2 Si3 -","- Ba16 Br8 Si12 -","4","1","","Wengert, S.; Willems, J.B.; Nesper, R.","Ba4 Si3 Br2: a double salt of barium bromide and barium silicide containing a novel cyclotrisilicide unit","Chemistry - A European Journal","2001","7","","3209","3213","","","","","","","","","","","","","","","","","","","","","","has coordinates","164230","2020-10-21","18:00:00","" "1536507","10.0796","","10.0796","","7.8958","","90","","90","","90","","802.2","","","","","","","","","","","","","4","P 42/n :2","-P 4bc","86","","K (Te O F3)","","- F3 K O Te -","- F3 K O Te -","- F24 K8 O8 Te8 -","8","1","","Kessler, U.; Jansen, M.","Synthese und Kristallstruktur von K Te O F3","Zeitschrift fuer Anorganische und Allgemeine Chemie","2001","627","","1782","1786","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "1536517","25.3395","","25.3395","","25.3395","","90","","90","","90","","16270.2","","","","","","","","","","","","","2","P a -3","-P 2ac 2ab 3","205","","","","- Ca13 Cd76 -","- Ca13 Cd75.9018 -","- Ca104 Cd607.214 -","8","0.333333","","Pay Gomez, C.; Lidin, S.","Structure of Ca13Cd76; a novel approximant to the YbCd5.7 and Ca15Cd85 quasicrystals.","Angewandte Chemie (Edition international)","2001","40","","4037","4039","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00","" "1536520","6.4899","","15.374","","6.8237","","90","","90","","90","","680.84","","","","","","","","","","","","","3","P b c n","-P 2n 2ab","60","","Ba Zn Cl4","","- Ba Cl4 Zn -","- Ba Cl4 Zn -","- Ba4 Cl16 Zn4 -","4","0.5","","Wickleder, C.","Crystal structure, thermal behavior, and luminescence of Ba Zn Cl4 - II : Sm(2+) and comparison to Ba Zn Cl4 - I : Sm(2+)","Journal of Solid State Chemistry","2001","162","","237","242","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "1536523","11.195","","6.9327","","13.574","","90","","110.94","","90","","983.921","","","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","H3 O La (S O4)2 (H2 O)3","","- H9 La O12 S2 -","- H9 La O12 S2 -","- H36 La4 O48 S8 -","4","1","","Wickleder, M.S.","H3 O La (S O4)2 * 3(H2 O): a new acidic sulfate of the rare earth elements","Zeitschrift fuer Anorganische und Allgemeine Chemie","2001","627","","1439","1440","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "1536526","12.288","","6.4835","","12.66","","90","","91.91","","90","","1008.05","","","","","","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","Pr Cl2 (N O3) (H2 O)5","","- Cl2 H10 N O8 Pr -","- Cl2 H10 N O8 Pr -","- Cl8 H40 N4 O32 Pr4 -","4","1","","Wickleder, M.S.; Mueller, I.; Meyer, G.","Das Chloridnitrat Pr Cl2 (N O3) . 5(H2 O) mit kationischen und anionischen Komplexen gemaess (Pr Cl2 (H2 O)6) (Pr Cl2 (N O3)2 (H2 O)4)","Zeitschrift fuer Anorganische und Allgemeine Chemie","2001","627","","4","6","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "1536529","6.6384","","7.1831","","9.533","","90","","91.55","","90","","454.408","","","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Na0.506 (Na2.564 Eu1.436) Ti2 Cl12","","- Cl12 Eu1.436 Na3.07 Ti2 -","- Cl12 Eu1.436 Na3.07 Ti2 -","- Cl12 Eu1.436 Na3.07 Ti2 -","1","0.25","","Wickleder, C.","Quaternaere Chloride des zweiwertigen Europiums mit dreiwertigen Uebergangsmetallen: Synthese und Kristallstruktur von Na6 Eu3 M4 Cl24 (M = Ti, V, Cr)","Zeitschrift fuer Anorganische und Allgemeine Chemie","2001","627","","549","553","","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00","" "1536532","6.604","","7.158","","9.465","","90","","91.41","","90","","447.289","","","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Na0.456 (Na2.508 Eu1.492) V2 Cl12","","- Cl12 Eu1.492 Na2.964 V2 -","- Cl12 Eu1.492 Na2.964 V2 -","- Cl12 Eu1.492 Na2.964 V2 -","1","0.25","","Wickleder, C.","Quaternaere Chloride des zweiwertigen europiums mit dreiwertigen Uebergangsmetallen: Synthese und Kristallstruktur von Na6 Eu3 M4 Cl24 (M = Ti, V, Cr)","Zeitschrift fuer Anorganische und Allgemeine Chemie","2001","627","","549","553","","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00","" "1536535","6.5478","","7.0649","","9.454","","90","","91.07","","90","","437.262","","","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Na0.566 (Na2.656 Eu1.344) Cr1.97 Cl12","","- Cl12 Cr1.97 Eu1.344 Na3.222 -","- Cl12 Cr1.97 Eu1.344 Na3.222 -","- Cl12 Cr1.97 Eu1.344 Na3.222 -","1","0.25","","Wickleder, C.","Quaternaere Chloride des zweiwertigen europiums mit dreiwertigen Uebergangsmetallen: Synthese und Kristallstruktur von Na6 Eu3 M4 Cl24 (M = Ti, V, Cr)","Zeitschrift fuer Anorganische und Allgemeine Chemie","2001","627","","549","553","","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00","" "1536559","17.215","","13.5405","","26.339","","90","","90","","90","","6139.61","","","","","","","","","","","","","4","P b c n","-P 2n 2ab","60","","(Te2 O2 (O H)6 (O Na)2)2 (Na O H (H2 O)12.5)","","- H12 Na5 O33.5 Te4 -","- H12 Na5 O33.5 Te4 -","- H96 Na40 O268 Te32 -","8","1","","Driess, M.; Merz, K.; Rowlings, R.B.","Orthotelluric acid as substitute for crystal-water: syntheses and crystal structure of the co-crystallate (Te (O H)6 . 2 adenine . 4(H2 O)) and the disodium ditellurate(VI) aggregate ((Te2 O2 (O H)6 (O Na)2)2 (Na O H . 12.5(H2 O)))","Zeitschrift fuer Anorganische und Allgemeine Chemie","2001","627","","213","217","","","","","","","","","","","","","","","","","","","","","","has coordinates","164310","2020-10-21","18:00:00","" "1536659","4.617","","7.614","","7.77","","90","","90","","90","","273.145","","","","","","","","","","","","","3","I m m a","-I 2b 2","74","","Eu Zn Ga","","- Eu Ga Zn -","- Eu Ga Zn -","- Eu4 Ga4 Zn4 -","4","0.25","","Poettgen, R.; Kotzyba, G.; Eckert, H.; Schappacher, F.M.; Mosel, B.D.; Grin', Yu.","Structure and properties of Eu Zn Ga","Zeitschrift fuer Anorganische und Allgemeine Chemie","2001","627","","1299","1304","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "1536675","5.2691","","8.2674","","12.614","","90","","90.246","","90","","549.483","","","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Sr Ni (P2 O7)","","- Ni O7 P2 Sr -","- Ni O7 P2 Sr -","- Ni4 O28 P8 Sr4 -","4","1","","El Bali, B.; Boukhari, A.; Glaum, R.; Maass, K.; Aride, J.; Wald, D.; Abraham, F.","Crystal structure and colour of Sr Ni P2 O7 and Sr Ni3 (P2 O7)2","Solid State Sciences","2001","3","","669","676","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "1536680","11.304","","11.304","","4.946","","90","","90","","120","","547.33","","","","","","","","","","","","","3","P 63/m","-P 6c","176","","Tb3.019 Ru1.862 C4.73","","- C4.73 Ru1.862 Tb3.019 -","- C4.73 Ru1.862 Tb3.0195 -","- C18.92 Ru7.448 Tb12.078 -","4","0.333333","","Pohlkamp, M.W.; Hoffmann, R.D.; Kotzyba, G.; Jeitschko, W.","Preparation, properties, and crystal structure of the rare earth ruthenium carbides R3 Ru2 C5 (R = Y, Gd - Er)","Journal of Solid State Chemistry","2001","160","","77","87","","","","","","","","","","","","","","","","","","","","","","has coordinates","164496","2020-10-21","18:00:00","" "1536684","11.47","","11.47","","5.047","","90","","90","","120","","575.03","","","","","","","","","","","","","3","P 63/m","-P 6c","176","","Gd3 Ru1.843 C4.80","","- C4.8 Gd3 Ru1.843 -","- C4.7955 Gd3 Ru1.8431 -","- C19.182 Gd12 Ru7.3724 -","4","0.333333","","Pohlkamp, M.W.; Hoffmann, R.D.; Kotzyba, G.; Jeitschko, W.","Preparation, properties, and crystal structure of the rare earth ruthenium carbides R3 Ru2 C5 (R = Y, Gd - Er)","Journal of Solid State Chemistry","2001","160","","77","87","","","","","","","","","","","","","","","","","","","","","","has coordinates","164500","2020-10-21","18:00:00","" "1536688","11.45","","11.45","","5.02","","90","","90","","120","","569.961","","","","","","","","","","","","","3","P 63/m","-P 6c","176","","Gd3 Ru1.862 C4.97","","- C4.97 Gd3 Ru1.862 -","- C4.97 Gd3 Ru1.862 -","- C19.88 Gd12 Ru7.448 -","4","0.333333","","Pohlkamp, M.W.; Jeitschko, W.; Hoffmann, R.D.; Kotzyba, G.","Preparation, properties, and crystal structure of the rare earth ruthenium carbides R3 Ru2 C5 (R = Y, Gd - Er)","Journal of Solid State Chemistry","2001","160","","77","87","","","","","","","","","","","","","","","","","","","","","","has coordinates","164504","2020-10-21","18:00:00","" "1536708","3.903","","11.221","","19.411","","90","","90","","90","","850.116","","","","","","","","","","","","","3","P m m n :2","-P 2ab 2a","59","","Ca4 Rh12.8 As9","","- As9 Ca4 Rh12.8 -","- As9 Ca4 Rh12.775 -","- As18 Ca8 Rh25.55 -","2","0.25","","Wurth, A.; Mewis, A.; Johrendt, D.; Keimes, V.","Neue ternaere Phosphide und Arsenide mit einem Metall:Nichtmetall-Verhaeltnis im Bereich von 2:1","Zeitschrift fuer Anorganische und Allgemeine Chemie","2001","627","","2183","2190","","","","","","","","","","","","","","","","","","","","","","has coordinates","164533","2020-10-21","18:00:00","" "1536710","3.913","","11.242","","19.44","","90","","90","","90","","855.165","","","","","","","","","","","","","3","P m m n :2","-P 2ab 2a","59","","Sm4 Rh13 As9","","- As9 Rh13 Sm4 -","- As9 Rh13 Sm4 -","- As18 Rh26 Sm8 -","2","0.25","","Wurth, A.; Keimes, V.; Johrendt, D.; Mewis, A.","Neue ternaere Phosphide und Arsenide mit einem Metall:Nichtmetall-Verhaeltnis im Bereich von 2:1","Zeitschrift fuer Anorganische und Allgemeine Chemie","2001","627","","2183","2190","","","","","","","","","","","","","","","","","","","","","","has coordinates","164536","2020-10-21","18:00:00","" "1536775","14.5675","","15.1881","","9.43","","90","","91.981","","90","","2085.17","","","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","(Cs3 P11) (N H3)3","","- Cs3 H9 N3 P11 -","- Cs3 H9 N3 P11 -","- Cs12 H36 N12 P44 -","4","1","","Knettel, D.; Reil, M.; Korber, N.","Darstellung und Strukturaufklaerung von Tricaesiumundecaphosphid-Ammoniakat(1/3) Cs3 P11 * (NH3)3","Zeitschrift fuer Anorganische und Allgemeine Chemie","2001","627","","2095","2099","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "1536805","11.99","","16.425","","8.5433","","90","","90","","90","","1682.48","","","","","","","","","","","","","3","P 21 21 2","P 2 2ab","18","","Eu8 (Sn4 Se14) (Se3)2","","- Eu8 Se20 Sn4 -","- Eu8 Se20 Sn4 -","- Eu16 Se40 Sn8 -","2","0.5","","Evenson, C.R.IV.; Dorhout, P.K.","Synthesis, structural, and optical characterization of a new europium(II) tin selenide, Eu8 (Sn4 Se14) (Se3)2 with a (Sn4 Se14)(2-) building block","Zeitschrift fuer Anorganische und Allgemeine Chemie","2001","627","","2178","2182","","","","","","","","","","","","","","","","","","","","","","has coordinates","164673","2020-10-21","18:00:00","" "1536845","5.311","","8.968","","16.256","","90","","90.26","","90","","774.25","","","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Ba2 Mn (P O4)2","","- Ba2 Mn O8 P2 -","- Ba2 Mn O8 P2 -","- Ba8 Mn4 O32 P8 -","4","1","","Faza, N.; Treutmann, W.; Babel, D.","Struktur- und magnetochemische Untersuchungen an den ternaeren Phosphaten Ba2 M(II) (P O4)2 (M(II) = Mn, Co) und Strukturverfeinerung von Ba Ni2 (P O4)2","Zeitschrift fuer Anorganische und Allgemeine Chemie","2001","627","","687","692","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "1536848","5.298","","8.844","","16.144","","90","","90.68","","90","","756.382","","","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Ba2 Co (P O4)2","","- Ba2 Co O8 P2 -","- Ba2 Co O8 P2 -","- Ba8 Co4 O32 P8 -","4","1","","Faza, N.; Babel, D.; Treutmann, W.","Struktur- und magnetochemische Untersuchungen an den ternaeren Phosphaten Ba2 M(II) (P O4)2 (M(II) = Mn, Co) und Strukturverfeinerung von Ba Ni2 (P O4)2","Zeitschrift fuer Anorganische und Allgemeine Chemie","2001","627","","687","692","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "1536852","4.8","","4.8","","23.273","","90","","90","","120","","464.371","","","","","","","","","","","","","4","R -3 :H","-R 3","148","","Ba Ni2 (P O4)2","","- Ba Ni2 O8 P2 -","- Ba Ni2 O8 P2 -","- Ba3 Ni6 O24 P6 -","3","0.166667","","Faza, N.; Treutmann, W.; Babel, D.","Struktur- und magnetochemische Untersuchungen an den ternaeren Phosphaten Ba2 M(II) (P O4)2 (M(II) = Mn, Co) und Strukturverfeinerung von Ba Ni2 (P O4)2","Zeitschrift fuer Anorganische und Allgemeine Chemie","2001","627","","687","692","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "1536874","9.828","","6.0702","","33.4377","","90","","91.362","","90","","1994.26","","","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","((Na (N H3)3)2 (Na (N H3)2) (Sb S3)) (N H3)2","","- H30 N10 Na3 S3 Sb -","- H30 N10 Na3 S3 Sb -","- H120 N40 Na12 S12 Sb4 -","4","1","","Korber, N.; Richter, F.","Low-temperature synthesis of diamminesodium(1+) triamminesodium(3-) trithioantimonate(3-) ammoniate (1:2:1:2) ((Na (N H3)3)2 (Na (N H3)2)) Sb S3 * 2(N H3), a solvated neutral sodium trithioantimonate(3-) (3:1) Na3 Sb S3 ion complex","Helvetica Chimica Acta","2001","84","","2368","2372","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "1536890","18.272","","19.141","","24.156","","100.034","","106.969","","111.885","","7106.81","","","","","","","","","","","","","4","P -1","-P 1","2","","K26 (As6 W65 O217 (H2 O)7) (H2 O)76","","- As6 K13 O300 W65 -","- As6 K13 O300 W65 -","- As6 K13 O300 W65 -","1","0.5","","Kortz, U.; Bassil, B.S.; Savelieff, M.G.; Dickman, M.H.","A large, novel polyoxotungstate: (As(III)6 W65 O217 (H2 O)7)(26-)","Angew. Chem. Int. ed.","2001","40","","3384","3386","","","","","","","","","","","","","","","","","","","","","","has coordinates","164774","2020-10-21","18:00:00","" "1536893","11.7468","","17.4175","","24.1241","","71.242","","77.115","","85.775","","4555.93","","","","","","","","","","","","","7","P -1","-P 1","2","","K6.25 Na Ni (As2 W19 O67 (H2 O)) (H2 O)31.5","","- As2 H65 K6.25 Na Ni O99.5 W19 -","- As2 K6.25 Na Ni0.99 O99.5 W19 -","- As4 K12.5 Na2 Ni1.98 O199 W38 -","2","1","","Kortz, U.; Bassil, B.S.; Savelieff, M.G.; Dickman, M.H.","A large, novel polyoxotungstate: (As(III)6 W65 O217 (H2 O)7)(26-)","Angew. Chem. Int. ed.","2001","40","","3384","3386","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "1536938","6.1356","","6.1356","","13.8232","","90","","90","","90","","520.382","","","","","","","","","","","","","5","P 4/n :2","-P 4a","85","","(Xe O Te F5) (As F6)","","- As F11 O Te Xe -","- As F11 O Te Xe -","- As2 F22 O2 Te2 Xe2 -","2","0.25","","Fir, B.A.; Mercier, H.P.A.; Dixon, D.A.; Sanders, J.C.P.; Schrobilgen, G.J.D.","Structural and theoretical studies of Xe (O Ch F5)2 and (Xe O Ch F5) (As F6) (Ch = Se, Te)","Journal of Fluorine Chemistry","2001","110","","89","107","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "1536940","6.1195","","6.1195","","13.0315","","90","","90","","90","","488.007","","","","","","","","","","","","","5","P 4/n :2","-P 4a","85","","(Xe O Se F5) (As F6)","","- As F11 O Se Xe -","- As F11 O Se Xe -","- As2 F22 O2 Se2 Xe2 -","2","0.25","","Fir, B.A.; Mercier, H.P.A.; Schrobilgen, G.J.D.; Sanders, J.C.P.; Dixon, D.A.","Structural and theoretical studies of Xe (O Ch F5)2 and (Xe O Ch F5) (As F6) (Ch = Se, Te)","Journal of Fluorine Chemistry","2001","110","","89","107","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "1536942","8.3859","","8.3859","","12.0355","","90","","90","","120","","732.983","","","","","","","","","","","","","4","R -3 :H","-R 3","148","","Xe (O Se F5)2","","- F10 O2 Se2 Xe -","- F9.99 O1.998 Se2 Xe -","- F29.97 O5.994 Se6 Xe3 -","3","0.166667","","Fir, B.A.; Mercier, H.P.A.; Schrobilgen, G.J.D.; Sanders, J.C.P.; Dixon, D.A.","Structural and theoretical studies of Xe (O Ch F5)2 and (Xe O Ch F5) (As F6) (Ch = Se, Te)","Journal of Fluorine Chemistry","2001","110","","89","107","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "1536944","10.289","","9.6052","","10.478","","90","","106.599","","90","","992.366","","","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Xe (O Te F5)2","","- F10 O2 Te2 Xe -","- F10 O2 Te2 Xe -","- F40 O8 Te8 Xe4 -","4","1","","Fir, B.A.; Schrobilgen, G.J.D.; Mercier, H.P.A.; Dixon, D.A.; Sanders, J.C.P.","Structural and theoretical studies of Xe (O Ch F5)2 and (Xe O Ch F5) (As F6) (Ch = Se, Te)","Journal of Fluorine Chemistry","2001","110","","89","107","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "1536946","8.989","","8.989","","7.522","","90","","90","","120","","526.365","","","","","","","","","","","","","3","P 63 m c","P 6c -2c","186","","Ca3 Ni8 In4","","- Ca3 In4 Ni8 -","- Ca3 In4 Ni8 -","- Ca6 In8 Ni16 -","2","0.166667","","Zaremba, V.; Muts, I.; Poettgen, R.; Kal'ichak, Ya.M.; Hoffmann, R.D.","Ca3 Ni8 In4 - An ordered non-centrosymmetric variant of the Ba Li4 type","Journal of Solid State Chemistry","2001","160","","415","420","","","","","","","","","","","","","","","","","","","","","","has coordinates","164857","2020-10-21","18:00:00","" "1537019","14.49297","","14.87313","","17.57384","","90","","90","","90","","3788.14","","","","","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","Al32 (P O4)32 (H2 O)61.84","","- Al32 H123.68 O189.84 P32 -","- Al32 O189.84 P32 -","- Al32 O189.84 P32 -","1","0.125","","Fjellvag, H.; Akporiaye, D.E.; Halvorsen, E.N.; Karlsson, A.; Lillerud, K.P.; Kongshaug, K.O.","Crystal structure and MAS-NMR study of rehydrated UiO-7","Solid State Sciences","2001","3","","603","611","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "1537034","4.19","","18.41","","15.105","","90","","90","","90","","1165.17","","","","","","","","","","","","","3","C m c 21","C 2c -2","36","","Tm4 Zn5 Ge6","","- Ge6 Tm4 Zn5 -","- Ge6 Tm4 Zn5 -","- Ge24 Tm16 Zn20 -","4","0.5","","Kranenberg, C.; Johrendt, D.; Mewis, A.","Neue ternaere Germanide: die Verbindungen Ln4 Zn5 Ge6 (Ln: Gd, Tm, Lu)","Zeitschrift fuer Anorganische und Allgemeine Chemie","2001","627","","539","544","","","","","","","","","","","","","","","","","","","","","","has coordinates","164999","2020-10-21","18:00:00","" "1537036","4.179","","18.368","","15.05","","90","","90","","90","","1155.24","","","","","","","","","","","","","3","C m c 21","C 2c -2","36","","Lu4 Zn5 Ge6","","- Ge6 Lu4 Zn5 -","- Ge6 Lu4 Zn5 -","- Ge24 Lu16 Zn20 -","4","0.5","","Kranenberg, C.; Johrendt, D.; Mewis, A.","Neue ternaere Germanide: die Verbindungen Ln4 Zn6 Ge6 (Ln: Gd, Tm, Lu)","Zeitschrift fuer Anorganische und Allgemeine Chemie","2001","627","","539","544","","","","","","","","","","","","","","","","","","","","","","has coordinates","165003","2020-10-21","18:00:00","" "1537037","4.249","","18.663","","15.423","","90","","90","","90","","1223.03","","","","","","","","","","","","","3","C m c 21","C 2c -2","36","","Gd4 Zn5 Ge6","","- Gd4 Ge6 Zn5 -","- Gd4 Ge6 Zn5 -","- Gd16 Ge24 Zn20 -","4","0.5","","Kranenberg, C.; Johrendt, D.; Mewis, A.","Neue ternaere Germanide: die Verbindungen Ln4 Zn5 Ge6 (Ln: Gd, Tm, Lu)","Zeitschrift fuer Anorganische und Allgemeine Chemie","2001","627","","539","544","","","","","","","","","","","","","","","","","","","","","","has coordinates","165007","2020-10-21","18:00:00","" "1537060","11.533","","17.06979","","17.05399","","90","","90","","90","","3357.35","","","","","","","","","","","","","3","C 2 2 21","C 2c 2","20","","La3 Br3 C2","","- C2 Br3 La3 -","- C2 Br3 La3 -","- C32 Br48 La48 -","16","2","","Zheng, C.; Oeckler, O.; Mattausch, H.J.; Simon, A.","La3 X3 Z - compounds with condensed La6 Z octahedra helically connected in three dimensions","Zeitschrift fuer Anorganische und Allgemeine Chemie","2001","627","","2151","2162","","","","","","","","","","","","","","","","","","","","","","has coordinates","165036","2020-10-21","18:00:00","" "1537062","12.157","","12.157","","12.157","","90","","90","","90","","1796.71","","","","","","","","","","","","","3","I 41 3 2","I 4bd 2c 3","214","","La3 Br3 Si","","- Br3 La3 Si -","- Br3 La3 Si -","- Br24 La24 Si8 -","8","0.166667","","Zheng, C.; Oeckler, O.; Simon, A.; Mattausch, H.J.","La3 X3 Z - compounds with condensed La6 Z octahedra helically connected in three dimensions","Zeitschrift fuer Anorganische und Allgemeine Chemie","2001","627","","2151","2162","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "1537064","12.427","","12.427","","12.427","","90","","90","","90","","1919.11","","","","","","","","","","","","","3","I 41 3 2","I 4bd 2c 3","214","","La3 I3 P","","- I3 La3 P -","- I3 La3 P -","- I24 La24 P8 -","8","0.166667","","Zheng, C.; Oeckler, O.; Mattausch, H.J.; Simon, A.","La3 X3 Z - compounds with condensed La6 Z octahedra helically connected in three dimensions","Zeitschrift fuer Anorganische und Allgemeine Chemie","2001","627","","2151","2162","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "1537065","12.533","","12.533","","12.533","","90","","90","","90","","1968.64","","","","","","","","","","","","","3","I 41 3 2","I 4bd 2c 3","214","","La3 I3 As","","- As I3 La3 -","- As I3 La3 -","- As8 I24 La24 -","8","0.166667","","Zheng, C.; Oeckler, O.; Mattausch, H.J.; Simon, A.","La3 X3 Z - compounds with condensed La6 Z octahedra helically connected in three dimensions","Zeitschrift fuer Anorganische und Allgemeine Chemie","2001","627","","2151","2162","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "1537068","12.78","","12.78","","12.78","","90","","90","","90","","2087.34","","","","","","","","","","","","","3","I 41 3 2","I 4bd 2c 3","214","","La3 I3 Sb","","- I3 La3 Sb -","- I3 La3 Sb -","- I24 La24 Sb8 -","8","0.166667","","Zheng, C.; Oeckler, O.; Simon, A.; Mattausch, H.J.","La3 X3 Z - compounds with condensed La6 Z octahedra helically connected in three dimensions","Zeitschrift fuer Anorganische und Allgemeine Chemie","2001","627","","2151","2162","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "1537076","9.4253","","8.2691","","9.6969","","90","","102.26","","90","","738.528","","","","","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","(N H4) V (B P2 O8 (O H))","","- B H5 N O9 P2 V -","- B H5 N O9 P2 V -","- B4 H20 N4 O36 P8 V4 -","4","1","","Kritikos, M.; Wikstad, E.; Wallden, K.","Hydrothermal syntheses, characterization and magnetic properties of three isostructural chain borophosphates; N H4 M(III) (B P2 O8 (O H)) with M = V or Fe and N H4 (Fe(III)0.53 V(III)0.47) (B P2 O8 (O H))","Solid State Sciences","2001","3","","649","658","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "1537078","9.404","","8.316","","9.706","","90","","102.28","","90","","741.678","","","","","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","(N H4) (Fe0.47 V0.502) (B P2 O8 (O H))","","- B Fe0.47 H5 N O9 P2 V0.502 -","- B Fe0.47 H4 N O9 P2 V0.502 -","- B4 Fe1.88 H16 N4 O36 P8 V2.008 -","4","1","","Kritikos, M.; Wallden, K.; Wikstad, E.","Hydrothermal synthesis, characterization and magnetic properties of three isostructural chain borophosphates: N H4 M(III) (B P2 O8 (O H)) with M = V or Fe and N H4 (Fe(III)0.53 V(III)0.47) (B P2 O8 (O H))","Solid State Sciences","2001","3","","649","658","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "1537173","11.4237","","11.4237","","60.096","","90","","90","","120","","6791.88","","","","","","","","","","","","","6","R -3 c :H","-R 3 2""c","167","","K6 (P12 S12 N14) (H2 O)8","","- H16 K6 N14 O8 P12 S12 -","- H16.08 K6 N14 O8.04 P12 S12 -","- H96.48 K36 N84 O48.24 P72 S72 -","6","0.166667","","Roth, S.; Schnick, W.","Synthese, Kristallstruktur und Eigenschaften der käfigartigen, sechsbasigen Säure P12 S12 N8 (N H)6 . 14(H2 O) sowie ihrer Salze Li6 (P12 S12 N14) . 26(H2 O), (N H4)6 (P12 S12 N14) . 10(H2 O) und K6 (P12 S12 N14) . 8(H2 O)","Zeitschrift für Anorganische und Allgemeine Chemie","2001","627","6","1165","1172","10.1002/1521-3749(200106)627:6<1165::AID-ZAAC1165>3.0.CO;2-J","","","","","","","","","","","","","","","","","","","","","has coordinates","189757","2020-10-21","18:00:00","" "1537191","11.834","","12.229","","12.112","","90","","90","","90","","1752.82","","","","","","","","","","","","","3","C m m m","-C 2 2","65","","","","- Ba3 Ge3.94 Sn0.06 -","- Ba3 Ge3.941 Sn0.059 -","- Ba24 Ge31.528 Sn0.472 -","8","0.5","","Zuercher, F.; Nesper, R.; Faessler, T.F.; Hoffmann, S.","Novel arachno-type (X5)6- Zintl anions in Sr3 Sr5, Ba3 Sr5, and Ba3 Pb5 and charge influence on Zintl clusters.","Zeitschrift fuer Anorganische und Allgemeine Chemie","2001","627","","2211","2219","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00","" "1537195","10.652","","8.743","","10.761","","90","","90","","90","","1002.18","","","","","","","","","","","","","3","C m c m","-C 2c 2","63","","","","- Ba3 Ge2.82 Sn2.18 -","- Ba3 Ge2.817 Sn2.183 -","- Ba12 Ge11.268 Sn8.732 -","4","0.25","","Zuercher, F.; Hoffmann, S.; Nesper, R.; Faessler, T.F.","Novel arachno-type (X5)6- Zintl anions in Sr3 Sr5, Ba3 Sr5, and Ba3 Pb5 and charge influence on Zintl clusters.","Zeitschrift fuer Anorganische und Allgemeine Chemie","2001","627","","2211","2219","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00","" "1537229","8.6374","","18.3536","","9.7209","","90","","90.053","","90","","1541.03","","","","","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","Ba3 Sn4 As6","","- As6 Ba3 Sn4 -","- As6 Ba2.98 Sn3.952 -","- As24 Ba11.92 Sn15.808 -","4","1","","Lam, R.; Mar, A.","The metallic Zintl phase Ba3 Sn4 As6","Solid State Sciences","2001","3","","503","512","","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00","" "1537232","4.9721","","4.9721","","6.976","","90","","90","","90","","172.459","","","","","","","","","","","","","3","I -4 2 d","I -4 2bw","122","","Na (P N2)","","- N2 Na P -","- N2 Na P -","- N8 Na4 P4 -","4","0.25","","Landskron, K.; Schmid, S.; Schnick, W.","Hochdruck-Synthese, Kristallstruktur und Eigenschaften von Na P N2","Zeitschrift fuer Anorganische und Allgemeine Chemie","2001","627","","2469","2472","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "1537278","16.0238","","17.6267","","19.6432","","109.285","","113.379","","97.726","","4575.65","","","","","","","","","","","","","5","P -1","-P 1","2","","((Mo2 O4)8 (H P O4)14 (P O4)10 (Co22 Cl2 (H2 O)42)) (H2 O)28","","- Cl2 Co22 Mo16 O184 P24 -","- Cl2 Co22 Mo16 O184 P24 -","- Cl2 Co22 Mo16 O184 P24 -","1","0.5","","du Peloux, C.; Dolbecq, A.; Marrot, J.; Mialane, P.; Riviere, E.; Secheresse, F.","A new family of layered molybdenum(V) cobalto-phosphates built up of (H14 (Mo16 O32) Co16 (P O4)24 (H2 O)20)(10-) wheels","Angew. Chem. Int. ed.","2001","40","","2455","2457","","","","","","","","","","","","","","","","","","","","","","has coordinates","165327","2020-10-21","18:00:00","" "1537279","15.7711","","17.0194","","30.2699","","90","","98.539","","90","","8034.82","","","","","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","((Mo2 O4)8 (H P O4)14 (P O4)10 (Co19 Na4 (H2 O)34)) (H2 O)15","","- Co19 H112 Mo16 Na4 O177 P24 -","- Co19 Mo16 Na4 O177 P24 -","- Co38 Mo32 Na8 O354 P48 -","2","0.5","","du Peloux, C.; Dolbecq, A.; Riviere, E.; Mialane, P.; Secheresse, F.; Marrot, J.","A new family of layered molybdenum(V) cobalto-phosphates built up of (H14 (Mo16 O32) Co16 (P O4)24 (H2 O)20)(10-) wheels","Angew. Chem. Int. ed.","2001","40","","2455","2457","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "1541424","17.738","","15.596","","10.357","","90","","90","","90","","2865.18","","","","","","","","","","","","","4","P n a 21","P 2c -2n","33","","(Ru (C O)4)4 (Pt (C O))2","","- C18 O18 Pt2 Ru4 -","- C18 O18 Pt2 Ru4 -","- C72 O72 Pt8 Ru16 -","4","1","","Antonucci, V.; Arico, A.S.; Marchetti, F.; Calderazzo, F.; Labella, L.","A new polymorph of the heteronuclear cluster Ru4 Pt2 (C O)18","Journal of Cluster Science","2001","12","","293","301","","","","","","","","","","","","","","","","","","","","","","has coordinates","172752","2020-10-21","18:00:00","" "1541520","9.878","","10.19","","10.501","","77.714","","79.709","","79.343","","1004.24","","","","","","","","","","","","","4","P -1","-P 1","2","","((Co (N H3)6) C60) (N H3)6","","- C60 H36 Co N12 -","- C60 H36 Co N12 -","- C60 H36 Co N12 -","1","0.5","","Brumm, H.; Jansen, M.","Synthese und Einkristallstrukturanalyse von (M (N H3)6) C60 * 6(N H3) (M = Co(2+), Zn(2+))","Zeitschrift fuer Anorganische und Allgemeine Chemie","2001","627","","1433","1435","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "1541522","10.015","","10.301","","10.619","","77.802","","79.689","","79.241","","1040.78","","","","","","","","","","","","","4","P -1","-P 1","2","","((Zn (N H3)6) C60) (N H3)6","","- C60 H36 N12 Zn -","- C60 H36 N12 Zn -","- C60 H36 N12 Zn -","1","0.5","","Brumm, H.; Jansen, M.","Synthese und Einkristallstrukturanalyse von (M (N H3)6) C60 * 6(N H3) (M = Co(2+), Zn(2+))","Zeitschrift fuer Anorganische und Allgemeine Chemie","2001","627","","1433","1435","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "1541637","12.459","","12.504","","13.079","","109.2","","107.303","","108.937","","1623.12","","","","","","","","","","","","","7","P -1","-P 1","2","","K4 (Se4 (Re (C N)3)4) (H2 O)6","","- C12 H12 K4 N12 O6 Re4 Se4 -","- C12 K4 N12 O6 Re4 Se4 -","- C24 K8 N24 O12 Re8 Se8 -","2","1","","Mironov, Yu.V.; Virovets, A.V.; Sheldrick, W.S.; Fedorov, V.E.","Novel inorganic polymeric compounds based on the Re4 chalcocyanide cluster complexes: synthesis and crystal structures of Mn2 (Re4 Se4 (C N)12) * 6(H2 O), Cd2 (Re4 Te4 (C N)12) * 6(H2 O), Cu2 (Re4 Te4 (C N)12) * 4(H2 O) and K4 Re4 Se4 (C N)12 * 6(H2 O)","Polyhedron","2001","20","","969","974","","","","","","","","","","","","","","","","","","","","","","has coordinates","173012","2020-10-21","18:00:00","" "1541664","23.229","","23.229","","23.229","","90","","90","","90","","12534.1","","","","","","","","","","","","","3","P a -3","-P 2ac 2ab 3","205","","(C60 F48) (C6 H3 (C H3)3)2","","- C78 H24 F48 -","- C78 H24 F48 -","- C624 H192 F384 -","8","0.333333","","Troyanov, S.I.; Troshin, P.A.; Boltalina, O.V.; Kemnitz, E.; Ioffe, I.N.; Sidorov, L.N.","Two isomers of C60 F48: an indented fullerene","Angew. Chem. Int. ed.","2001","40","","2285","2287","","","","","","","","","","","","","","","","","","","","","","has coordinates","173064","2020-10-21","18:00:00","" "1541685","9.9409","","18.837","","10.1249","","90","","101.917","","90","","1855.09","","","","","","","","","","","","","7","P 1 21/m 1","-P 2yb","11","","(K6 (Ta4 Te4 O (C N)12)) (K O H) (H2 O)4","","- C12 H9 K7 N12 O6 Ta4 Te4 -","- C12 K7 N12 O6 Ta4 Te4 -","- C24 K14 N24 O12 Ta8 Te8 -","2","0.5","","Fedin, V.P.; Fenske, D.; Kalinina, I.V.; Virovets, A.V.","Synthesis, structures and properties of the niobium and tantalum telluride cubane clusters (M4 (mue4-O) (mue3-Te)4 (C N)12)(6-) (M = Nb or Ta)","Izvestiya Akad. Nauk, Seriya Khimicheskaya","2001","50","","892","896","","","","","","","","","","","","","","","","","","","","","","has coordinates","173101","2020-10-21","18:00:00","" "1541713","10.624","","14.999","","19.013","","90","","90","","90","","3029.71","","","","","","","","","","","","","7","I m m a","-I 2b 2","74","","Mn2 (Se4 (Re (C N)3)4) (H2 O)6","","- C12 H12 Mn2 N12 O6 Re4 Se4 -","- C12 Mn2 N12 O6 Re4 Se4 -","- C48 Mn8 N48 O24 Re16 Se16 -","4","0.25","","Mironov, Yu.V.; Virovets, A.V.; Sheldrick, W.S.; Fedorov, V.E.","Novel inorganic polymeric compounds based on the Re4 chalcocyanide cluster complexes: synthesis and crystal structures of Mn2 (Re4 Se4 (C N)12) * 6(H2 O), Cd2 (Re4 Te4 (C N)12) * 6(H2 O), Cu2 (Re4 Te4 (C N)12) * 4(H2 O) and K4 Re4 Se4 (C N)12 * 6(H2 O)","Polyhedron","2001","20","","969","974","","","","","","","","","","","","","","","","","","","","","","has coordinates","173156","2020-10-21","18:00:00","" "1541714","10.684","","15.528","","19.118","","90","","90","","90","","3171.7","","","","","","","","","","","","","7","I m m a","-I 2b 2","74","","Cd2 (Te4 (Re (C N)3)4) (H2 O)6","","- C12 H12 Cd2 N12 O6 Re4 Te4 -","- C12 Cd2 N12 O6 Re4 Te4 -","- C48 Cd8 N48 O24 Re16 Te16 -","4","0.25","","Mironov, Yu.V.; Sheldrick, W.S.; Virovets, A.V.; Fedorov, V.E.","Novel inorganic polymeric compounds based on the Re4 chalcocyanide cluster complexes: synthesis and crystal structures of Mn2 (Re4 Se4 (C N)12) * 6(H2 O), Cd2 (Re4 Te4 (C N)12) * 6(H2 O), Cu2 (Re4 Te4 (C N)12) * 4(H2 O) and K4 Re4 Se4 (C N)12 * 6(H2 O)","Polyhedron","2001","20","","969","974","","","","","","","","","","","","","","","","","","","","","","has coordinates","173158","2020-10-21","18:00:00","" "1541715","10.19","","15.181","","18.953","","90","","90","","90","","2931.92","","","","","","","","","","","","","7","I m m a","-I 2b 2","74","","Cu2 (Te4 (Re (C N)3)4) (H2 O)4","","- C12 H8 Cu2 N12 O4 Re4 Te4 -","- C12 Cu2 N12 O4 Re4 Te4 -","- C48 Cu8 N48 O16 Re16 Te16 -","4","0.25","","Mironov, Yu.V.; Virovets, A.V.; Sheldrick, W.S.; Fedorov, V.E.","Novel inorganic polymeric compounds based on the Re4 chalcocyanide cluster complexes: synthesis and crystal structures of Mn2 (Re4 Se4 (C N)12) * 6(H2 O), Cd2 (Re4 Te4 (C N)12) * 6(H2 O), Cu2 (Re4 Te4 (C N)12) * 4(H2 O) and K4 Re4 Se4 (C N)12 * 6(H2 O)","Polyhedron","2001","20","","969","974","","","","","","","","","","","","","","","","","","","","","","has coordinates","173160","2020-10-21","18:00:00","" "1541722","6.2594","","11.9975","","8.475","","90","","107.18","","90","","608.051","","","","","","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","((C O)2 (C F2) (Fe (C O)3)2)","","- C9 F2 Fe2 O8 -","- C9 F2 Fe2 O8 -","- C18 F4 Fe4 O16 -","2","0.5","","Petz, W.; Weller, F.; Barthel, A.; Reinhold, J.; Mealli, C.","Preparation, spectroscopic properties, and crystal structures of Fe2 (C O)6 (mue-(C O)) (mue-(C F2))2, Fe2 (C O)6 (mue-(C O))2 (mue-(C F2)), and Fe2 (C O)6 (mue-(C F2)) (P Ph3)2 - theoretical studies of methylenic carbon bridges","Zeitschrift fuer Anorganische und Allgemeine Chemie","2001","627","","1859","1869","","","","","","","","","","","","","","","","","","","","","","has coordinates","173172","2020-10-21","18:00:00","" "1541799","8.957","","11.131","","12.378","","90","","90","","90","","1234.09","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","((C O) (C F2)2 (Fe (C O)3)2)","","- C9 F4 Fe2 O7 -","- C9 F4 Fe2 O7 -","- C36 F16 Fe8 O28 -","4","0.5","","Petz, W.; Mealli, C.; Weller, F.; Reinhold, J.; Barthel, A.","Preparation, spectroscopic properties, and crystal structures of Fe2 (C O)6 (mue-(C O)) (mue-(C F2))2, Fe2 (C O)6 (mue-(C O))2 (mue-(C F2)), and Fe2 (C O)6 (mue-(C F2)) (P Ph3)2 - theoretical studies of methylenic carbon bridges","Zeitschrift fuer Anorganische und Allgemeine Chemie","2001","627","","1859","1869","","","","","","","","","","","","","","","","","","","","","","has coordinates","173297","2020-10-21","18:00:00","" "1541852","10.844","","6.0812","","12.3062","","90","","92.355","","90","","810.841","","","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(Sb Cl5)2 (N C C N)","","- C2 Cl10 N2 Sb2 -","- C2 Cl10 N2 Sb2 -","- C4 Cl20 N4 Sb4 -","2","0.5","","Klapoetke, T.M.; Noeth, H.; Suter, M.; Schuett, T.; Warchhold, M.","Synthesis and characterization of the Lewis acid-base complexes SbCl5.LB (LB = ICN, BrCN, ClCN, (CN)2, NH2Cn and pyridine) - a combined theoretical and experimental investigation. The crystal structures of SbCl5.NCCl and SbCl5.NCCN.SbCl5","Zeitschrift fuer Anorganische und Allgemeine Chemie","2001","627","","1582","1588","","","","","","","","","","","","","","","","","","","","","","has coordinates","173389","2020-10-21","18:00:00","" "1541853","12.7234","","9.4731","","7.8097","","90","","90","","90","","941.303","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","(Sb Cl5) (N C Cl)","","- C Cl6 N Sb -","- C Cl6 N Sb -","- C4 Cl24 N4 Sb4 -","4","0.5","","Klapoetke, T.M.; Noeth, H.; Schuett, T.; Suter, M.; Warchhold, M.","Synthesis and characterization of the Lewis acid-base complexes SbCl5.LB (LB = ICN, BrCN, ClCN, (CN)2, NH2Cn and pyridine) - a combined theoretical and experimental investigation. The crystal structures of SbCl5.NCCl and SbCl5.NCCN.SbCl5","Zeitschrift fuer Anorganische und Allgemeine Chemie","2001","627","","1582","1588","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "1545624","6.916","0.003","12.812","0.003","7.661","0.002","90","","106.25","0.04","90","","651.7","0.4","","","293","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- K2 O15 Si6 Ti -","- K2 O15 Si6 Ti -","- K4 O30 Si12 Ti2 -","2","1","","Xiaodong Zou; Mike S. Dadachov","A New Mixed Framework Compound with Corrugated [Si6O15] Layers: K2TiSi6O15","Journal of Solid State Chemistry","2001","156","","135","142","10.1006/jssc.2000.8972","","x-ray","0.71073","MoKα","","0.0415","0.0329","","","0.0736","0.0765","","","","","","0.98","","","","has coordinates","194418","2020-10-21","18:00:00","" "1545625","8.9574","0.0005","7.4614","0.0004","10.7212","0.0006","90","","94.158","0.001","90","","714.66","0.07","","","295","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","Alpha-prime-SrAlF5","","","- Al F5 Sr -","- Al F5 Sr -","- Al8 F40 Sr8 -","8","2","","Matthias Weil; Erich Zobetz; Franz Werner; Frank Kubel","New alkaline earth aluminium fluorides with the formula (M1, M2)AlF5 (M1, M2 = Ca, Sr, Ba)","Solid State Sciences","2001","3","","441","453","10.1016/S1293-2558(01)01165-7","","x-ray","0.71073","MoKα","","","0.02","","","","0.045","","","","","","0.987","","","","has coordinates","194445","2020-10-21","18:00:00","" "1545626","19.7345","0.0003","19.7345","0.0003","14.1982","0.0002","90","","90","","90","","5529.5","0.14","","","295","","","","","","","","","4","I 41/a :2","-I 4ad","88","","","","- Al Ca0.33 F5 Sr0.67 -","- Al Ca0.325 F5 Sr0.675 -","- Al64 Ca20.8 F320 Sr43.2 -","64","4","","Matthias Weil; Erich Zobetz; Franz Werner; Frank Kubel","New alkaline earth aluminium fluorides with the formula (M1, M2)AlF5 (M1, M2 = Ca, Sr, Ba)","Solid State Sciences","2001","3","","441","453","10.1016/S1293-2558(01)01165-7","","x-ray","0.71073","MoKα","","","0.039","","","","0.099","","","","","","1.07","","","","has coordinates","194446","2020-10-21","18:00:00","" "1545627","5.2146","0.0007","7.3933","0.001","14.946","0.002","79.365","0.002","88.525","0.002","88.183","0.002","565.92","0.13","","","295","","","","","","","","","3","P -1","-P 1","2","delta-BaAlF5","","","- Al Ba F5 -","- Al Ba F5 -","- Al6 Ba6 F30 -","6","3","","Matthias Weil; Erich Zobetz; Franz Werner; Frank Kubel","New alkaline earth aluminium fluorides with the formula (M1, M2)AlF5 (M1, M2 = Ca, Sr, Ba)","Solid State Sciences","2001","3","","441","453","10.1016/S1293-2558(01)01165-7","","x-ray","0.71073","MoKα","","","0.033","","","","0.089","","","","","","1.186","","","","has coordinates","194447","2020-10-21","18:00:00","" "1556100","10.016","0.003","11.499","0.003","17.53","0.004","95.938","0.005","100.417","0.006","108.57","0.003","1854","0.9","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C13 H20 O2 S -","- C13 H20 O2 S -","- C78 H120 O12 S6 -","6","3","","Dawid, M.; Mlostoñ, G; Warkentin, J.","The first 2,2-dialkoxythiirane.","Organic letters","2001","3","16","2455","2456","10.1021/ol016108g","","","0.71073","MoKα","","0.0524","0.0404","","","0.1039","0.1113","","","","","","1.026","","","","has coordinates","243464","2020-10-21","18:00:00","" "1567213","6.6993","0.0009","9.945","0.003","15.797","0.003","90","","93.72","0.01","90","","1050.3","0.4","","","295","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","tripotassium hydroxonium (mu-2-oxo)tetraperoxo-dioxo-divanadate(V)","","- H3 K3 O12 V2 -","- H6 K6 O24 V4 -","- H12 K12 O48 V8 -","2","0.5","","Lesnugin, A. V.; Rybakov, V. B.; Aslanov, L. A.; Anisimov, A. V.","Synthesis and Structure of Potassium Oxodiperoxovanadate","Russian Journal of Coordination Chemistry","2001","27","2","116","118","10.1023/A:1009579300359","","x-ray","","MoKα","","","0.043","","","","0.096","","","","","","","","","","has coordinates","276497","2022-07-02","20:43:53","" "1567218","8.694","0.002","12.752","0.003","27.613","0.006","90","","90","","90","","3061.3","1.2","","","295","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","Di(mu2-chloro)-dichloro-bis(3-N,N-dimethylaminocaran-4-one-oxime)- dicopper(II)","Di(mu2-chloro)-dichloro-bis(4-(dimethylamino)-4,7,7-trimethylbicyclo [4.1.0]heptan-3-one oxime)-dicopper(II)","","- C24 H44 Cl4 Cu2 N4 O2 -","- C24 H2 Cl4 Cu2 N4 O2 -","- C96 H8 Cl16 Cu8 N16 O8 -","4","1","","Larionov, S. V.; Myachina, L. I.; Romanenko, G. V.; Tkachev, A. V.; Sheludyakova, L. A.; Ikorskii, V. N.; Boguslavskii, E. G.","Synthesis, Crystal and Molecular Structures, and Properties of Optically Active Copper(II) Complexes with 3-N,N-Dimethylaminocaran-4-one-oxime","Russian Journal of Coordination Chemistry","2001","27","6","423","432","10.1023/A:1011395910599","","x-ray","","MoKα","","","0.027","","","","0.035","","","","","","","","","","has coordinates","276544","2022-07-04","19:54:51","" "1567219","22.423","0.003","22.423","0.003","20.454","0.004","90","","90","","90","","10284","3","","","295","","","","","","","","","6","P 43 21 2","P 4nw 2abw","96","(mu3-Hydroxo)-(mu2-chloro)-tris(mu2-3-N,N-dimethylaminocaran-4-one-oxime- N,N',O)-tricopper(II) chloride octahydrate","(mu3-Hydroxo)-(mu3-chloro)-tris(mu2-4-(dimethylamino)-4,7,7-trimethylbicyclo [4.1.0]heptan-3-one oxime-N,N',O)-tricopper(II) chloride octahydrate","","- C36 H80 Cl2 Cu3 N6 O12 -","- C36 H Cl2 Cu3 N6 O12 -","- C288 H8 Cl16 Cu24 N48 O96 -","8","1","","Larionov, S. V.; Myachina, L. I.; Romanenko, G. V.; Tkachev, A. V.; Sheludyakova, L. A.; Ikorskii, V. N.; Boguslavskii, E. G.","Synthesis, Crystal and Molecular Structures, and Properties of Optically Active Copper(II) Complexes with 3-N,N-Dimethylaminocaran-4-one-oxime","Russian Journal of Coordination Chemistry","2001","27","6","423","432","10.1023/A:1011395910599","","x-ray","","MoKα","","","0.054","","","","0.151","","","","","","","","","","has coordinates","276544","2022-07-04","19:54:52","" "1567220","9.04","0.002","12.744","0.004","16.14","0.004","80.22","0.02","88.87","0.02","78.67","0.02","1796.5","0.8","","","295","","","","","","","","","5","P -1","-P 1","2","","bis((1,4-Dioxanediyl-2,3-dithio)ethylene-dithiotetrathiafulvalene) tetraoxo-rhenium(VI)","","- C24 H20 O8 Re S16 -","- C24 O8 Re S16 -","- C48 O16 Re2 S32 -","2","1","","Gritsenko, V. V.; D'yachenko, O. A.; Kotov, A. I.; Buravov, L. I.; Mizuno, M.","Influence of Packing of Radical Cations on the Conductivity of the New Molecular Semiconductor (Doet)2ReO4","Russian Journal of Coordination Chemistry","2001","27","6","401","406","10.1023/A:1011339825620","","x-ray","","CuKα","","","0.089","","","","0.191","","","","","","","","","","has coordinates","276545","2022-07-04","20:26:57","" "1567221","9.874","0.002","22.905","0.005","12.325","0.003","90","","112.03","0.03","90","","2584","1.1","","","295","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Nitrato-tetra-p-tolyl-antimony(V)","Nitrato-tetrakis(4-methylphenyl)antimony(V)","","- C28 H28 N O3 Sb -","- C28 N O3 Sb -","- C112 N4 O12 Sb4 -","4","1","","Sharutin, V. V.; Sharutina, O. K.; Bondar', E. A.; Pakusina, A. P.; Adonin, N. Yu.; Starichenko, V. F.; Fukin, G. K.; Zakharov, L. N.","Tetraphenylantimony Pentafluorobenzoate and Tetra-p-Tolylantimony Nitrate: Syntheses and Structures","Russian Journal of Coordination Chemistry","2001","27","6","393","397","10.1023/A:1011335724711","","x-ray","","MoKα","","","0.04","","","","0.101","","","","","","","","","","has coordinates","276567","2022-07-05","11:29:58","" "1567222","16.175","0.003","8.765","0.002","20.42","0.004","90","","113.03","0.03","90","","2664.3","1.1","","","295","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Pentafluorobenzoato-tetraphenyl-antimony(V)","","- C31 H20 F5 O2 Sb -","- C31 F5 O2 Sb -","- C124 F20 O8 Sb4 -","4","1","","Sharutin, V. V.; Sharutina, O. K.; Bondar', E. A.; Pakusina, A. P.; Adonin, N. Yu.; Starichenko, V. F.; Fukin, G. K.; Zakharov, L. N.","Tetraphenylantimony Pentafluorobenzoate and Tetra-p-Tolylantimony Nitrate: Syntheses and Structures","Russian Journal of Coordination Chemistry","2001","27","6","393","397","10.1023/A:1011335724711","","x-ray","","MoKα","","","0.035","","","","0.079","","","","","","","","","","has coordinates","276567","2022-07-05","11:29:59","" "1567223","25.254","0.005","6.952","0.001","13.951","0.003","90","","116.41","0.03","90","","2193.7","0.9","","","295","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","Tetraaqua-bis(2-formylphenoxyacetato)zinc(II) dihydrate","","- C18 H26 O14 Zn -","- C18 O14 Zn -","- C72 O56 Zn4 -","4","0.5","","Shova, S.; Novitsky, G.; Gdaniec, M.; Simonov, Yu. A.; Shafransky, V.; Turta, C.","Synthesis and Structure of Tetraaqua-bis(2-Formylphenoxyacetato)Zinc(II) Dihydrate","Russian Journal of Coordination Chemistry","2001","27","6","387","392","10.1023/A:1011383607873","","x-ray","","MoKα","","","0.034","","","","0.09","","","","","","","","","","has coordinates","276568","2022-07-05","12:43:23","" "1567224","8.317","0.003","10.419","0.006","10.826","0.003","63.71","0.04","73.24","0.03","77.42","0.05","800.9","0.7","","","295","","","","","","","","","4","P -1","-P 1","2","","Triammonium pentadecafluorotetraantimonate(III)","","- F15 H12 N3 Sb4 -","- F15 H4 N3 Sb4 -","- F30 H8 N6 Sb8 -","2","1","","Udovenko, A. A.; Gorbunova, Yu. E.; Zemnukhova, L. A.; Mikhailov, Yu. N.; Davidovich, R. L.","Crystal Structures of Ammonium and Cesium Pentadecafluorotetraantimonates(III)","Russian Journal of Coordination Chemistry","2001","27","7","479","482","10.1023/A:1011385531672","","x-ray","","MoKα","","","0.051","","","","","","","","","","","","","","has coordinates","276569","2022-07-05","14:38:46","" "1567225","8.079","0.002","19.116","0.008","8.162","0.002","90","","117.08","0.02","90","","1122.3","0.6","","","295","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","Tricesium pentadecafluorotetraantimonate(III)","","- Cs3 F15 Sb4 -","- Cs3 F15 Sb4 -","- Cs12 F60 Sb16 -","4","1","","Udovenko, A. A.; Gorbunova, Yu. E.; Zemnukhova, L. A.; Mikhailov, Yu. N.; Davidovich, R. L.","Crystal Structures of Ammonium and Cesium Pentadecafluorotetraantimonates(III)","Russian Journal of Coordination Chemistry","2001","27","7","479","482","10.1023/A:1011385531672","","x-ray","","MoKα","","","0.036","","","","","","","","","","","","","","has coordinates","276569","2022-07-05","14:39:06","" "1567226","7.53","0.002","8.634","0.002","12.426","0.002","90","","102.46","0.03","90","","788.8","0.3","","","150","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Rubidum dihydrogenphosphate(III)","Rubidium phosphite","","- H2 O3 P Rb -","- H2 O3 P Rb -","- H16 O24 P8 Rb8 -","8","2","","Kosterina, E. V.; Troyanov, S. I.; Kemnitz, E.; Aslanov, L. A.","Synthesis and Crystal Structure of Acid Phosphites RbH2PO3, CsH2PO3, and TlH2PO3","Russian Journal of Coordination Chemistry","2001","27","7","458","462","10.1023/A:1011377229855","","x-ray","","MoKα","","","0.041","","","","0.137","","","","","","","","","","has coordinates","276570","2022-07-05","20:52:04","" "1567227","7.93","0.002","8.929","0.002","13.163","0.003","90","","104.84","0.03","90","","900.9","0.4","","","150","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Caesium dihydrogenphosphate(III)","Caesium phosphite","","- Cs H2 O3 P -","- Cs H2 O3 P -","- Cs8 H16 O24 P8 -","8","2","","Kosterina, E. V.; Troyanov, S. I.; Kemnitz, E.; Aslanov, L. A.","Synthesis and Crystal Structure of Acid Phosphites RbH2PO3, CsH2PO3, and TlH2PO3","Russian Journal of Coordination Chemistry","2001","27","7","458","462","10.1023/A:1011377229855","","x-ray","","MoKα","","","0.024","","","","0.092","","","","","","","","","","has coordinates","276570","2022-07-05","20:52:04","" "1567228","6.603","0.001","6.785","0.001","8.836","0.002","90","","90","","90","","395.86","0.12","","","150","","","","","","","","","4","P n a 21","P 2c -2n","33","Tallium dihydrogenphosphate(III)","Tallium phosphite","","- H2 O3 P Tl -","- H2 O3 P Tl -","- H8 O12 P4 Tl4 -","4","1","","Kosterina, E. V.; Troyanov, S. I.; Kemnitz, E.; Aslanov, L. A.","Synthesis and Crystal Structure of Acid Phosphites RbH2PO3, CsH2PO3, and TlH2PO3","Russian Journal of Coordination Chemistry","2001","27","7","458","462","10.1023/A:1011377229855","","x-ray","","MoKα","","","0.035","","","","0.153","","","","","","","","","","has coordinates","276570","2022-07-05","20:52:05","" "1567257","7.713","0.002","8.679","0.003","9.235","0.003","79.36","0.03","67.6","0.02","88.13","0.03","561.2","0.3","","","150","","","","","","","","","4","P -1","-P 1","2","Bis(rubidum hydrogenphosphonate) phosphonic acid","Bis(rubidium phosphite) phosphonic acid solvate","","- H7 O9 P3 Rb2 -","- H7 O9 P3 Rb2 -","- H14 O18 P6 Rb4 -","2","1","","Kosterina, E. V.; Troyanov, S. I.; Aslanov, L. A.; Kemnitz, E.","Superacid Univalent Metal Phosphites (MH2PO3)2 x H3PO3 (M = Rb, Tl(I)) and MH2PO3 x H3PO3 (M = K, Cs): Synthesis and Structure","Russian Journal of Coordination Chemistry","2001","27","8","527","536","10.1023/A:1011393810002","","x-ray","","MoKα","","","0.025","","","","0.065","","","","","","","","","","has coordinates","276728","2022-07-07","14:03:40","" "1567258","7.69","0.003","8.494","0.003","9.292","0.004","79.48","0.03","66.72","0.03","85.45","0.03","548.1","0.4","","","150","","","","","","","","","4","P -1","-P 1","2","Bis(tallium hydrogen phosphonate(III)) phosphonic acid","Bis(Tallium phosphite) phosphonic acid solvate","","- H7 O9 P3 Tl2 -","- O9 P3 Tl2 -","- O18 P6 Tl4 -","2","1","","Kosterina, E. V.; Troyanov, S. I.; Aslanov, L. A.; Kemnitz, E.","Superacid Univalent Metal Phosphites (MH2PO3)2 · H3PO3 (M = Rb, Tl(I)) and MH2PO3 · H3PO3 (M = K, Cs): Synthesis and Structure","Russian Journal of Coordination Chemistry","2001","27","8","527","536","10.1023/A:1011393810002","","x-ray","","MoKα","","","0.049","","","","0.164","","","","","","","","","","has coordinates","276728","2022-07-07","14:03:41","" "1567259","8.726","0.003","12.182","0.004","6.354","0.002","90","","104.14","0.03","90","","655","0.4","","","150","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Potassium hydrogen phosphonate(III) phosphonic acid solvate","Potassium phosphite phosphonic acid solvate","","- H5 K O6 P2 -","- H5 K O6 P2 -","- H20 K4 O24 P8 -","4","1","","Kosterina, E. V.; Troyanov, S. I.; Aslanov, L. A.; Kemnitz, E.","Superacid Univalent Metal Phosphites (MH2PO3)2 · H3PO3 (M = Rb, Tl(I)) and MH2PO3 · H3PO3 (M = K, Cs): Synthesis and Structure","Russian Journal of Coordination Chemistry","2001","27","8","527","536","10.1023/A:1011393810002","","x-ray","","MoKα","","","0.024","","","","0.076","","","","","","","","","","has coordinates","276728","2022-07-07","14:03:41","" "1567260","6.033","0.001","6.444","0.001","18.345","0.004","90","","90","","90","","713.2","0.2","","","150","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","alpha(Potassium hydrogen phosphonate(III) phosphonic acid solvate)","Caesium phosphite phosphonic acid solvate","","- Cs H5 O6 P2 -","- Cs H5 O6 P2 -","- Cs4 H20 O24 P8 -","4","1","","Kosterina, E. V.; Troyanov, S. I.; Aslanov, L. A.; Kemnitz, E.","Superacid Univalent Metal Phosphites (MH2PO3)2 · H3PO3 (M = Rb, Tl(I)) and MH2PO3 · H3PO3 (M = K, Cs): Synthesis and Structure","Russian Journal of Coordination Chemistry","2001","27","8","527","536","10.1023/A:1011393810002","","x-ray","","MoKα","","","0.017","","","","0.055","","","","","","","","","","has coordinates","276728","2022-07-07","14:03:41","" "1567261","9.99","0.003","12.197","0.004","6.866","0.002","90","","118.14","0.03","90","","737.7","0.4","","","150","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","beta(Caesium hydrogen phosphonate(III) phosphonic acid solvate)","Caesium phosphite phosphonic acid solvate","","- Cs H5 O6 P2 -","- Cs H5 O6 P2 -","- Cs4 H20 O24 P8 -","4","0.5","","Kosterina, E. V.; Troyanov, S. I.; Aslanov, L. A.; Kemnitz, E.","Superacid Univalent Metal Phosphites (MH2PO3)2 · H3PO3 (M = Rb, Tl(I)) and MH2PO3 · H3PO3 (M = K, Cs): Synthesis and Structure","Russian Journal of Coordination Chemistry","2001","27","8","527","536","10.1023/A:1011393810002","","x-ray","","MoKα","","","0.018","","","","0.049","","","","","","","","","","has coordinates","276728","2022-07-07","14:03:41","" "1567262","18.473","0.005","5.439","0.002","10.481","0.003","90","","99.73","0.03","90","","1037.9","0.6","","","295","","","","","","","","","4","C 1 c 1","C -2yc","9","","Caesium orthoperiodate","","- Cs H9 I2 O12 -","- Cs I2 O12 -","- Cs4 I8 O48 -","4","1","","Shilov, G. V.; Dobrovol'skii, Yu. A.; Chernyak, A. V.; Leonova, L. S.; Zyubina, T. S.; Romanchenko, E. V.; Atovmyan, L. O.","Crystal Structure and Properties of Acid Salt of Orthoperiodic Acid CsH9I2O12","Russian Journal of Coordination Chemistry","2001","27","11","786","790","10.1023/A:1012515005705","","x-ray","","MoKα","","","0.058","","","","","","","","","","","","","","has coordinates","276729","2022-07-07","20:18:09","" "1567263","8.034","0.002","12.953","0.003","10.755","0.003","90","","90","","90","","1119.2","0.5","","","295","","","","","","","","","5","P b c n","-P 2n 2ab","60","","Ammonium sodium hexafluorotitanate","","- F6 H4 N Na Ti -","- F6 N Na Ti -","- F48 N8 Na8 Ti8 -","8","1","","Popov, D. Yu.; Kavun, V. Ya.; Antokhina, T. F.; Gerasimenko, A. V.; Sergienko, V. I.","Crystal Structure of NH4NaTiF6 and Internal Mobility of the Complex Anions","Russian Journal of Coordination Chemistry","2001","27","12","831","834","10.1023/A:1013031126720","","x-ray","","MoKα","","","0.045","","","","0.04","","","","","","","","","","has coordinates","276730","2022-07-07","20:36:48","" "2000031","13.9117","0.0001","13.9117","0.0001","32.4106","0.0002","90","","90","","120","","5432.23","","","","163","","","","","","","","","7","R -3 :H","-R 3","148","","","","- C44 H106 F6 O2 P7 S8 W6 -","- C288 H624 F46 O18 P37 S40 W36 -","- C864 H1872 F138 O54 P111 S120 W108 -","3","0.166667","","Hill, L. I.; Jin, Song; Zhou, Ran; Venkataraman, D.; DiSalvo, F. J.","Synthesis and Characterization of Oxidized W~6~S~8~L~6~ Clusters","Inorganic Chemistry","2001","40","12","2660","2665","10.1021/ic001099d","","","","","","","0.0451","","","0.0451","","","","","","","","","","","has coordinates","176759","2020-10-21","18:00:00","" "2000032","24.6648","0.0012","19.8619","0.0009","20.1365","0.001","90","","103.324","0.001","90","","9599.13","","","","163","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C72 H162 P6 S8 W6 -","- C180 H410 P12 S16 W12 -","- C720 H1640 P48 S64 W48 -","4","0.5","","Jin, Song; Zhou, Ran; Scheuer, E. M.; Adamchuk, J.; Rayburn, L. L.; Disalvo, F. J.","Synthesis, Characterization, and Ligand Exchange Studies of W~6~S~8~L~6~ Cluster Compounds","Inorganic Chemistry","2001","40","12","2666","2674","10.1021/ic001314q","","","","","","","0.025","","","0.025","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00","" "2000033","14.6107","0.0006","16.6282","0.0007","21.2344","0.0009","96.3869","0.0009","93.7166","0.001","92.1225","0.001","5110.99","","","","173","","","","","","","","","5","P -1","-P 1","2","","","","- C114 H96 P6 S8 W6 -","- C118 H100 P6 S8 W6 -","- C236 H200 P12 S16 W12 -","2","1","","Jin, Song; Zhou, Ran; Scheuer, E. M.; Adamchuk, J.; Rayburn, L. L.; Disalvo, F. J.","Synthesis, Characterization, and Ligand Exchange Studies of W~6~S~8~L~6~ Cluster Compounds","Inorganic Chemistry","2001","40","12","2666","2674","10.1021/ic001314q","","","","","","","0.0368","","","0.0368","","","","","","","","","","","has coordinates","174727","2020-10-21","18:00:00","" "2000034","12.1751","0.0006","12.5456","0.0006","12.7678","0.0006","111.532","0.0011","110.339","0.0011","93.1387","0.0011","1663.42","","","","173","","","","","","","","","5","P -1","-P 1","2","","","","- C54 H78 N6 S8 W6 -","- C96 H144 N12 S16 W12 -","- C96 H144 N12 S16 W12 -","1","0.5","","Jin, Song; Zhou, Ran; Scheuer, E. M.; Adamchuk, J.; Rayburn, L. L.; Disalvo, F. J.","Synthesis, Characterization, and Ligand Exchange Studies of W~6~S~8~L~6~ Cluster Compounds","Inorganic Chemistry","2001","40","12","2666","2674","10.1021/ic001314q","","","","","","","0.0412","","","0.0412","","","","","","","","","","","has coordinates","174727","2020-10-21","18:00:00","" "2000035","14.8105","0.0013","18.5419","0.0017","25.108","0.002","90","","104.284","0.002","90","","6681.87","","","","173","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C51.4 H91.6 N11 O7.3 S8 W6 -","- C90 H169 N19 O14 S16 W12 -","- C360 H676 N76 O56 S64 W48 -","4","0.5","","Jin, Song; Zhou, Ran; Scheuer, E. M.; Adamchuk, J.; Rayburn, L. L.; Disalvo, F. J.","Synthesis, Characterization, and Ligand Exchange Studies of W~6~S~8~L~6~ Cluster Compounds","Inorganic Chemistry","2001","40","12","2666","2674","10.1021/ic001314q","","","","","","","0.0304","","","0.0304","","","","","","","","","","","has coordinates","176759","2020-10-21","18:00:00","" "2000036","9.0847","0.0005","9.1602","0.0005","9.566","0.0005","103.732","0.001","116.622","0.001","106.265","0.001","619.1","","","","173","","","","","","","","","5","P -1","-P 1","2","","","","- C6 H30 N6 S8 W6 -","- C12 H60 N12 S16 W12 -","- C12 H60 N12 S16 W12 -","1","0.5","","Jin, Song; Zhou, Ran; Scheuer, E. M.; Adamchuk, J.; Rayburn, L. L.; Disalvo, F. J.","Synthesis, Characterization, and Ligand Exchange Studies of W~6~S~8~L~6~ Cluster Compounds","Inorganic Chemistry","2001","40","12","2666","2674","10.1021/ic001314q","","","","","","","0.0444","","","0.0444","","","","","","","","","","","has coordinates","174727","2020-10-21","18:00:00","" "2000037","23.1036","0.0004","20.8216","0.0003","11.497","","90","","99.703","0.001","90","","5451.56","","","","173","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C32 H88 N8 S8 W6 -","- C56 H154 N14 S16 W12 -","- C224 H616 N56 S64 W48 -","4","0.5","","Jin, Song; Zhou, Ran; Scheuer, E. M.; Adamchuk, J.; Rayburn, L. L.; Disalvo, F. J.","Synthesis, Characterization, and Ligand Exchange Studies of W~6~S~8~L~6~ Cluster Compounds","Inorganic Chemistry","2001","40","12","2666","2674","10.1021/ic001314q","","","","","","","0.0325","","","0.0325","","","","","","","","","","","has coordinates","176759","2020-10-21","18:00:00","" "2000073","9.136","0.004","11.029","0.005","12.238","0.005","100.37","0.02","111.79","0.02","111.04","0.02","996.406","","","","","","","","","","","","","4","P -1","-P 1","2","","","","- C26 H19 N O4 -","- C26 H19 N O4 -","- C52 H38 N2 O8 -","2","1","","Einhorn, Cathy; Durif, André; Averbuch, Marie-Thérèse; Einhorn, Jacques","Solid-State Isomerization of Atropodiastereomers: Effective Diastereoselection through Polymorphic Transformations","Angewandte Chemie, International Edition in English","2001","40","10","1926","1929","10.1002/1521-3773(20010518)40:10<1926::AID-ANIE1926>3.0.CO;2-3","","","","","","","0.0432","","","0.0432","","","","","","","","","","","has coordinates","199666","2020-10-21","18:00:00","" "2000074","10.948","0.002","8.269","0.003","11.165","0.003","90","","90.98","0.02","90","","1010.61","","","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C26 H19 N O4 -","- C56 H32 N4 O12 -","- C112 H64 N8 O24 -","2","0.5","","Einhorn, Cathy; Durif, André; Averbuch, Marie-Thérèse; Einhorn, Jacques","Solid-State Isomerization of Atropodiastereomers: Effective Diastereoselection through Polymorphic Transformations","Angewandte Chemie, International Edition in English","2001","40","10","1926","1929","10.1002/1521-3773(20010518)40:10<1926::AID-ANIE1926>3.0.CO;2-3","","","","","","","0.065","","","0.065","","","","","","","","","","","has coordinates","199666","2020-10-21","18:00:00","" "2000099","18.128","0.007","20.224","0.007","26.221","0.009","101.3","0.02","104.07","0.02","102.37","0.02","8790.67","","","","293","","","","","","","","","7","P -1","-P 1","2","","","","- C94.5 H96.5 B2 N6.5 Ni2 O7 S2 -","- C97 H82 B2 N6.5 Ni2 O4.5 S2 -","- C388 H328 B8 N26 Ni8 O18 S8 -","4","2","","Catherine Belle; Catherine Bougault; Marie-Thérèse Averbuch; André Durif; Jean-Louis Pierre; Jean-Marc Latour; Laurent Le Pape","Paramagnetic NMR Investigations of High-Spin Nickel(II) Complexes. Controlled Synthesis, Structural, Electronic, and Magnetic Properties of Dinuclear vs Mononuclear Species","Journal of the American Chemical Society","2001","123","33","8053","8066","10.1021/ja010342k","","","","","","","0.0576","","","0.0576","","","","","","","","","","","has coordinates","277836","2022-09-14","17:02:02","" "2000124","10.283","0.011","12.096","0.012","16.911","0.019","76.07","0.11","72.38","0.07","65.2","0.07","1804.07","","","","293","","","","","","","","","7","P -1","-P 1","2","catena-(3-(2-Ammonioethylammonio)propylammonium Mu-17)","","","- C10 H39 F2 Ga6 N6 O30 P7 -","- C10 H39 F3 Ga12 N6 O39 P7 -","- C20 H78 F6 Ga24 N12 O78 P14 -","2","1","","Matijasic, Alain; Gramlich, Volker; Patarin, Joël","Mu-17: a new member of the gallophosphate family prepared by the fluoride route","Solid State Sciences","2001","3","1-2","155","167","10.1016/S1293-2558(00)01122-5","","","","","","","0.0316","","","0.0316","","","","","","","","","","","has coordinates","199775","2020-10-21","18:00:00","" "2000133","10.043","0.007","10.043","0.007","13.828","0.01","90","","90","","90","","1394.7","1.7","293","2","293","2","","","","","","","","7","P 42/n c m :2","-P 4ac 2ac","138","","","","- C2 H16 F3 Ga3 N2 O12 P2 -","- C2 H16 F3 Ga3 N2 O12 P2 -","- C8 H64 F12 Ga12 N8 O48 P8 -","4","0.25","","Matijasic, Alain; Gramlich, Volker; Patarin, Joël","Further evidence of the efficiency of the fluoride route illustrated by the hydrothermal synthesis and crystal structure of the hydroxyfluorogallophosphate Mu-20","Journal of Materials Chemistry","2001","11","10","2553","","10.1039/b102263f","","","1.54178","CuKα","","0.0354","0.0322","","0.0938","0.0916","","","","1.259","1.296","1.296","","","","","has coordinates","176759","2020-10-21","18:00:00","" "2002982","6.7685","0.0001","32.2337","0.0001","8.173","0.0001","90","","111.578","0.001","90","","1658.17","0.03","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Bis[hexaaquacerium(III)] tetraaquacopper(II) tetrasquarate dihydrate","","- C16 H36 Ce2 Cu O34 -","- C16 H36 Ce2 Cu O34 -","- C32 H72 Ce4 Cu2 O68 -","2","0.5","","Ng, Seik Weng; Hu, Sheng-Zhi; Razak, Ibrahim Abdul; Fun, Hoong-Kun","Bis[hexaaquacerium(III)] tetraaquacopper(II) tetrasquarate dihydrate","Acta Crystallographica, Section E","2001","57","","m28","m30","10.1107/S1600536800018791","","","0.71073","MoKα","","0.055","0.043","","","","0.105","","","","","","1.02","","","","has coordinates","176759","2020-10-21","18:00:00","" "2003034","9.9147","0.0003","9.9147","0.0003","8.6508","0.0006","90","","90","","90","","850.38","0.07","293","2","293","2","","","","","","","","3","I 4/m","-I 4","87","","","","- Mo6 O12 Pr -","- Mo6 O12 Pr -","- Mo24 O48 Pr4 -","4","0.25","","Barrier, N.; Tortelier, J.; Gougeon, P.","A new reduced molybdenum oxide with hollandite-type structure, PrMo~6~O~12~","Acta Crystallographica, Section E","2001","57","","i3","i5","10.1107/S1600536800019048","","","0.71073","MoKα","","0.038","0.032","","","","0.081","","","","","","1.176","","","","has coordinates","282068","2023-03-26","10:12:03","" "2011673","9.3105","0.0007","29.929","0.002","7.453","0.006","90","","90.64","0.07","90","","2076.7","1.7","292","1","292","1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","n-hexylammonium dihydrogenarsenate","","- C6 H18 As N O4 -","- C6 H18 As N O4 -","- C48 H144 As8 N8 O32 -","8","2","AV1051","Fábry, Jan; Kroupa, Jan; Císařová, Ivana","Phase transitions in n-alkylammonium dihydrogenphosphates and -arsenates and ferroelastic n-hexyl- and n-octylammonium dihydrogenarsenate","Acta Crystallographica Section C","2001","57","1","22","25","10.1107/S0108270100013834","","","0.71073","MoKα","","0.0969","0.036","","0.0465","","0.0465","","","1.89","2.41","2.41","1.89","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00","" "2011674","9.307","0.001","34.936","0.004","7.488","0.001","90","","90.58","0.01","90","","2434.6","0.5","292","1","292","1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","n-octylammonium dihydrogenarsenate","","- C8 H22 As N O4 -","- C8 H22 As N O4 -","- C64 H176 As8 N8 O32 -","8","2","AV1051","Fábry, Jan; Kroupa, Jan; Císařová, Ivana","Phase transitions in n-alkylammonium dihydrogenphosphates and -arsenates and ferroelastic n-hexyl- and n-octylammonium dihydrogenarsenate","Acta Crystallographica Section C","2001","57","1","22","25","10.1107/S0108270100013834","","","0.71073","MoKα","","0.0827","0.0433","","0.0695","","0.0695","","","3.19","4","4","3.19","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00","" "2011675","7.725","0.003","10.321","0.003","15.548","0.005","80.26","0.02","77.18","0.02","74.82","0.02","1158.4","0.7","170","1","170","1","","","","","","","","6","P -1","-P 1","2","","(2-Chlorobenzyl)tris(pyridine-2-thiolato)-κ^2^N,S;κ^2^N,S;κS-tin(IV)","","- C22 H18 Cl N3 S3 Sn -","- C22 H18 Cl N3 S3 Sn -","- C44 H36 Cl2 N6 S6 Sn2 -","2","1","AV1054","Markus Schürmann; Friedo Huber; Renato Barbieri","(2-Chlorobenzyl)tris(2-pyridinethiolato)tin(IV)","Acta Crystallographica Section C","2001","57","1","40","41","10.1107/S0108270100015146","","","0.71073","MoKα","","0.046","0.033","","","","0.073","","","","","","0.936","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00","" "2011676","7.346","0.001","9.6957","0.0006","14.915","0.001","90","","94.69","0.03","90","","1058.76","0.18","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","mercury(II) complex of benzothiazole","Catena-(2-methyl-benzo-1-thia-3-azolium-μ-dichloromercurate(II))","","- C8 H7 Cl2 Hg N S -","- C8 H7 Cl2 Hg N S -","- C32 H28 Cl8 Hg4 N4 S4 -","4","1","AV1065","Popović, Zora; Mrvoš-Sermek, Draginja; Soldin, Željka; Tralić-Kulenović, Vesna","catena-Poly[[(2-methyl-1,3-benzothiazole-N)mercury(II)]-di-μ-chloro]","Acta Crystallographica Section C","2001","57","1","20","21","10.1107/S0108270100013846","","","0.71073","MoKα","","0.0797","0.0475","","","","0.1345","","","","","","1.056","","","","has coordinates","176435","2020-10-21","18:00:00","" "2011677","18.1926","0.0002","18.1926","0.0002","8.4442","0.0001","90","","90","","90","","2794.78","0.05","150","2","150","2","","","","","","","","7","P -4","P -4","81","","","","- C21 H40 B7 Cl O Rh2 S -","- C21 H40 B7 Cl O Rh2 S -","- C84 H160 B28 Cl4 O4 Rh8 S4 -","4","1","BJ1000","Bould, Jonathan; Brownless, Annette; Kilner, Colin; Londesborough, Michael; Štíbr, Bohumil; Kennedy, John D.; Thornton-Pett, Mark","[μ-6,9-Cl-8-(OMe)-6,9-(η^5^-C~5~Me~5~)~2~-arachno-6,9,5-Rh~2~SB~7~H~7~]","Acta Crystallographica Section C","2001","57","1","52","54","10.1107/S0108270100015432","","","0.71073","MoKα","","0.0317","0.031","","","","0.0799","","","","","","1.143","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00","" "2011678","11.7493","0.0001","19.0809","0.0003","14.6006","0.0002","90","","90","","90","","3273.27","0.07","293","2","293","2","","","","","","","","7","P b c n","-P 2n 2ab","60","","","","- C24 H36 Cd N2 O4 P2 S4 -","- C24 H36 Cd N2 O4 P2 S4 -","- C96 H144 Cd4 N8 O16 P8 S16 -","4","0.5","BJ1016","Hao, Qingli; Yang, Xujie; Jian, Fangfang; Lu, Lude; Wang, Xin; Abdul Razak, Ibrahim; Chantrapromma, Suchada; Fun, Hoong-Kun","Bis(O,O'-diisopropyl dithiophosphato-S,S')(1,10-phenanthroline-N,N')metal(II) complexes with cadmium(II) and iron(II)","Acta Crystallographica Section C","2001","57","1","42","44","10.1107/S0108270100014256","","","0.71073","MoKα","","0.071","0.054","","","","0.168","","","","","","1.07","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00","" "2011679","11.5761","0.0002","18.8015","0.0001","14.7098","0.0002","90","","90","","90","","3201.56","0.07","293","2","293","2","","","","","","","","7","P b c n","-P 2n 2ab","60","","Bis(O,O'- diisopropyldithiophosphato-S,S')(1,10-phenanthroline)Iron(II) complex :[Fe{(iPr-dtp)~2~}(phen)]","","- C24 H36 Fe N2 O4 P2 S4 -","- C24 H36 Fe N2 O4 P2 S4 -","- C96 H144 Fe4 N8 O16 P8 S16 -","4","0.5","BJ1016","Hao, Qingli; Yang, Xujie; Jian, Fangfang; Lu, Lude; Wang, Xin; Abdul Razak, Ibrahim; Chantrapromma, Suchada; Fun, Hoong-Kun","Bis(O,O'-diisopropyl dithiophosphato-S,S')(1,10-phenanthroline-N,N')metal(II) complexes with cadmium(II) and iron(II)","Acta Crystallographica Section C","2001","57","1","42","44","10.1107/S0108270100014256","","","0.71073","MoKα","","0.093","0.074","","","","0.127","","","","","","0.97","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00","" "2011680","6.181","0.001","9.2","0.001","10.691","0.001","90","","102.94","0.01","90","","592.51","0.13","292","2","292","2","","","","","","","","4","P 1 21 1","P 2yb","4","Sodium glucoheptonate dihydrate","Sodium D-glycero-D-gulo-heptonate dihydrate","","- C7 H17 Na O10 -","- C7 H17 Na O10 -","- C14 H34 Na2 O20 -","2","1","BK1543","Park, Young Ja; Lee, Bo Hyung","Sodium α-glucoheptonate dihydrate","Acta Crystallographica Section C","2001","57","1","12","13","10.1107/S010827010001355X","","","0.7107","MoKα","","0.033","0.032","","","","0.09","","","","","","1.28","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00","" "2011681","7.113","0.005","9.339","0.007","14.526","0.01","79.14","0.01","85.37","0.01","86.49","0.01","943.5","1.2","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","4-(3'-bromo-4' -hydroxyphenyl)-amino-6,7 -dimethoxyquinazoline","","- C17 H19 Br Cl N3 O4 -","- C17 H19 Br Cl N3 O4 -","- C34 H38 Br2 Cl2 N6 O8 -","2","1","BK1562","Ghosh, Sutapa; Jennisen, Jason D.; Liu, Xing-Ping; Uckun, Fatih M.","4-[(3-Bromo-4-hydroxyphenyl)amino]-6,7-dimethoxyquinazolin-1-ium chloride methanol solvate and 4-[(3-hydroxyphenyl)amino]-6,7-dimethoxy-1-quinazolinium chloride","Acta Crystallographica Section C","2001","57","1","76","78","10.1107/S0108270100013561","","","0.71073","MoKα","","0.0514","0.037","","","","0.1","","","","","","0.99","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00","" "2011682","9.4851","0.0007","10.3688","0.0008","15.9106","0.0012","90.954","0.001","99.108","0.001","95.438","0.001","1537.3","0.2","297","2","297","2","","","","","","","","5","P -1","-P 1","2","","4-(3'-Hydroxyphenyl)-amino-6,7 -dimethoxyquinazoline","","- C16 H16 Cl N3 O3 -","- C16 H16 Cl N3 O3 -","- C64 H64 Cl4 N12 O12 -","4","2","BK1562","Ghosh, Sutapa; Jennisen, Jason D.; Liu, Xing-Ping; Uckun, Fatih M.","4-[(3-Bromo-4-hydroxyphenyl)amino]-6,7-dimethoxyquinazolin-1-ium chloride methanol solvate and 4-[(3-hydroxyphenyl)amino]-6,7-dimethoxy-1-quinazolinium chloride","Acta Crystallographica Section C","2001","57","1","76","78","10.1107/S0108270100013561","","","0.71073","MoKα","","0.1061","0.043","","","","0.091","","","","","","0.9","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00","" "2011683","16.113","0.004","19.079","0.005","17.227","0.004","90","","92.873","0.005","90","","5289","2","120","2","120","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C57 H49 Fe N9 O15 S3 -","- C57 H49 Fe N9 O15 S3 -","- C228 H196 Fe4 N36 O60 S12 -","4","1","","Deng, Robert M. K.; Simon, Sabitha; Dillon, Keith B.; Goeta, Andres E.","A saccharinate-iron(II) complex with a free saccharin molecule present: [Fe(phen)~3~]sac~2~.sacH.6H~2~O","Acta Crystallographica, Section C","2001","57","","04","06","10.1107/S0108270100013093","","","","","","","","","","","","","","","","","","","","","has coordinates","176760","2020-10-21","18:00:00","" "2011684","8.0516","0.0012","8.1214","0.0012","9.9064","0.0015","88.427","0.004","86.171","0.004","67.868","0.003","598.71","0.16","180","2","180","2","","","","","","","","4","P -1","-P 1","2","","2,4,6-Trimethoxy-3-(1-chlorovinyl)benzaldehyde","","- C12 H13 Cl O4 -","- C12 H13 Cl O4 -","- C24 H26 Cl2 O8 -","2","1","BM1428","Panda, Atulya K.; Parthasarathy, M. R.; Errington, William","3-(1-Chlorovinyl)-2,4,6-trimethoxybenzaldehyde","Acta Crystallographica Section C","2001","57","1","102","103","10.1107/S0108270100014700","","","0.71073","MoKα","","0.0508","0.0464","","","","0.1369","","","","","","1.102","","","","has coordinates","201957","2020-10-21","18:00:00","" "2011685","4.8355","0.0008","11.583","0.002","17.304","0.003","90","","90","","90","","969.2","0.3","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","Phenazine-2,3-diamine","","- C12 H10 N4 -","- C12 H10 N4 -","- C48 H40 N16 -","4","1","BM1429","Doyle, Robert P.; Kruger, Paul E.; Mackie, Philip R.; Nieuwenhuyzen, Mark.","Phenazine-2,3-diamine","Acta Crystallographica Section C","2001","57","1","104","105","10.1107/S0108270100014712","","","0.71073","MoKα","","0.05","0.041","","","","0.1148","","","","","","1.046","","","","has coordinates","201957","2020-10-21","18:00:00","" "2011686","9.2035","0.0002","15.9788","0.0005","13.2013","0.0003","90","","99.67","0.002","90","","1913.81","0.09","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","5,6:8,9-bis-μH-4-carbonyl-4-hydrido-4-bis(trimethylphosphine)-4-irido- arachno-nonaborane(12)","","- C7 H31 B8 Ir O P2 -","- C7 H31 B8 Ir O P2 -","- C28 H124 B32 Ir4 O4 P8 -","4","1","BR1295","Bould, Jonathan; Kennedy, John D.; Thornton-Pett, Mark; Barton, Lawrence; Rath, Nigam P.","Two iridanonaborane compounds","Acta Crystallographica Section C","2001","57","1","49","51","10.1107/S0108270100015213","","","0.71073","MoKα","","0.042","0.041","","","","0.105","","","","","","1.097","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00","" "2011687","9.2655","0.0001","12.1784","0.0001","16.8668","0.0001","90","","94.702","0.001","90","","1896.83","0.03","223","2","223","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","2,5:6,9:8,9-tri-μH-2-carbonyl-4-chloro-2-bis(trimethylphosphine)-2-irido- nido-nonaborane(11)","","- C7 H28 B8 Cl Ir O P2 -","- C7 H28 B8 Cl Ir O P2 -","- C28 H112 B32 Cl4 Ir4 O4 P8 -","4","1","BR1295","Bould, Jonathan; Kennedy, John D.; Thornton-Pett, Mark; Barton, Lawrence; Rath, Nigam P.","Two iridanonaborane compounds","Acta Crystallographica Section C","2001","57","1","49","51","10.1107/S0108270100015213","","","0.71073","MoKα","","0.021","0.017","","","","0.041","","","","","","1.167","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00","" "2011688","20.013","0.006","13.456","0.003","11.424","0.003","90","","90","","90","","3076.4","1.4","295","2","295","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","6-Dimethylamino-5-nitropyrimidin-4-yl diethyldithiocarbamate","","- C11 H17 N5 O2 S2 -","- C11 H17 N5 O2 S2 -","- C88 H136 N40 O16 S16 -","8","1","BR1303","Chernyshev, Vladimir V.; Paseshnichenko, Ksenia A.; Makarov, Vadim A.; Sonneveld, Eduard J.; Schenk, Hendrik","Metabolic pathways of dithiocarbamates from laboratory powder diffraction data","Acta Crystallographica Section C","2001","57","1","72","75","10.1107/S0108270100013457","","","1.54059","CuKα","","","","","","","","","","3.22","","","","","","","has coordinates","201957","2020-10-21","18:00:00","" "2011689","7.354","0.003","9.098","0.004","21.738","0.008","90","","97.33","0.02","90","","1442.5","1","295","2","295","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","6-Methylamino-5-nitropyrimidin-4-yl diethyldithiocarbamate","","- C10 H15 N5 O2 S2 -","- C10 H15 N5 O2 S2 -","- C40 H60 N20 O8 S8 -","4","1","BR1303","Chernyshev, Vladimir V.; Paseshnichenko, Ksenia A.; Makarov, Vadim A.; Sonneveld, Eduard J.; Schenk, Hendrik","Metabolic pathways of dithiocarbamates from laboratory powder diffraction data","Acta Crystallographica Section C","2001","57","1","72","75","10.1107/S0108270100013457","","","1.54059","CuKα","","","","","","","","","","2.94","","","","","","","has coordinates","201957","2020-10-21","18:00:00","" "2011690","10.271","0.003","6.836","0.0002","19.642","0.002","90","","90","","90","","1379.1","0.4","295","2","295","2","","","","","","","","5","P n a 21","P 2c -2n","33","","4-Diethylamino-6-methylamino-5-nitropyrimidinium chloride monohydrate","","- C9 H18 Cl N5 O3 -","- C9 H18 Cl N5 O3 -","- C36 H72 Cl4 N20 O12 -","4","1","BR1303","Chernyshev, Vladimir V.; Paseshnichenko, Ksenia A.; Makarov, Vadim A.; Sonneveld, Eduard J.; Schenk, Hendrik","Metabolic pathways of dithiocarbamates from laboratory powder diffraction data","Acta Crystallographica Section C","2001","57","1","72","75","10.1107/S0108270100013457","","","1.54059","CuKα","","","","","","","","","","2.86","","","","","","","has coordinates","194474","2020-10-21","18:00:00","" "2011691","9.276","0.0003","9.276","0.0003","22.464","0.0008","90","","90","","120","","1673.9","","298","","298","","","","","","","","","4","R -3 c :H","-R 3 2""c","167","","","","- As3 Na2.88 O12 Sc2 -","- As3 Na2.906 O12 Sc2 -","- As18 Na17.436 O72 Sc12 -","6","0.166667","","Harrison, William T. A.; Phillips, Mark L. F.","Sodium scandium arsenate, Na~3~Sc~2~(AsO~4~)~3~","Acta Crystallographica, Section C","2001","57","","02","03","10.1107/S010827010001372X","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00","" "2011692","10.518","0.003","15.18","0.008","17.618","0.006","90","","98.85","0.02","90","","2779.5","1.9","295","","","","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C23 H30 Br2 N4 Ni O4 Zn -","- C23 H30 Br2 N4 Ni O4 Zn -","- C92 H120 Br8 N16 Ni4 O16 Zn4 -","4","1","DA1133","Arıcı, Cengiz; Svoboda, Ingrid; Sarı, Musa; Atakol, Orhan; Fuess, Hartmut","{Bis(N,N-dimethylformamide)[μ-N,N'-bis(salicylidene)-1,3-propanediaminato]nickel(II)}dibromozinc(II)","Acta Crystallographica Section C","2001","57","1","31","32","10.1107/S0108270100014487","","","0.71073","MoKα","","","0.039","","","","0.108","","","","","","1.03","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00","" "2011693","9.3677","0.001","21.991","0.004","9.4564","0.0011","90","","115.827","0.009","90","","1753.5","0.4","293","2","","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C33 H48 O12 S2 -","- C33 H48 O12 S2 -","- C66 H96 O24 S4 -","2","1","DA1143","Harper, James K.; Dalley, N. Kent; Mulgrew, Anna E.; West, F. G.; Grant, David M.","10-Deacetyl baccatin III dimethyl sulfoxide disolvate","Acta Crystallographica Section C","2001","57","1","64","65","10.1107/S0108270100011781","","","0.71073","MoKα","","","0.0556","","","0.136","","","","","1.084","1.084","","","","","has coordinates,has disorder,has Fobs","199684","2020-10-21","18:00:00","" "2011694","10.371","0.002","7.102","0.0014","20.446","0.004","90","","94.07","0.03","90","","1502.1","0.5","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","Catena-poly[[diaqua(phenanthroline-N,N') manganese(II)-μu-(thiosulfato-O:S)]","","- C12 H12 Mn N2 O5 S2 -","- C12 H8 Mn N2 O5 S2 -","- C48 H32 Mn4 N8 O20 S8 -","4","2","DA1146","Freire, Eleonora; Baggio, Sergio; Baggio, Ricardo; Mombrú, Alvaro","catena-Poly[[diaqua(1,10-phenanthroline-N,N')manganese(II)]-μ-(thiosulfato-O:S)] and bis(2,2'-bipyridyl-N,N')(tetrathionato-O,O')manganese(II)","Acta Crystallographica Section C","2001","57","1","14","17","10.1107/S0108270100013585","","","0.71073","MoKα","","0.067","0.062","","","","0.193","","","","","","1.188","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00","" "2011695","15.33","0.003","9.889","0.002","16.061","0.003","90","","90","","90","","2434.8","0.8","293","2","293","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","Bis(2,2'-bipyridyl-N,N') manganese(II) tetrathionate O,O'","","- C20 H16 Mn N4 O6 S4 -","- C20 H16 Mn N4 O6 S4 -","- C80 H64 Mn4 N16 O24 S16 -","4","0.5","DA1146","Freire, Eleonora; Baggio, Sergio; Baggio, Ricardo; Mombrú, Alvaro","catena-Poly[[diaqua(1,10-phenanthroline-N,N')manganese(II)]-μ-(thiosulfato-O:S)] and bis(2,2'-bipyridyl-N,N')(tetrathionato-O,O')manganese(II)","Acta Crystallographica Section C","2001","57","1","14","17","10.1107/S0108270100013585","","","0.71073","MoKα","","0.145","0.052","","","","0.183","","","","","","1.014","","","","has coordinates","176435","2020-10-21","18:00:00","" "2011696","12.047","0.002","7.808","0.002","9.718","0.001","90","","108.71","0.01","90","","865.8","0.3","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","N-phenylmaleimide adduct of 1-oxa-4-thia-6-vinyl-spiro[4.5]dec-6-ene","2-phenyl-2,3,3a,4,5,5a,6,7,8,9,9a,9b-dodecahydro-1H-benz[e]isoindole-6-spiro- 2'-[1,3]oxathiolane-1,3-dione","","- C20 H21 N O3 S -","- C20 H21 N O3 S -","- C40 H42 N2 O6 S2 -","2","1","DA1148","Parvez, Masood; Yadav, Veejendra K.; Senthil, Govindaraji","Some Diels‒Alder adducts of 6-vinyl-1-oxa-4-thiaspiro[4.5]dec-6-ene","Acta Crystallographica Section C","2001","57","1","82","85","10.1107/S0108270100013597","","","1.54178","CuKα","","0.051","0.049","","","","0.125","","","","","","1.15","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00","" "2011697","13.258","0.002","7.3897","0.0017","14.2874","0.0013","90","","105.944","0.009","90","","1345.9","0.4","170","2","170","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","N-Methyl-1,3,4-triazoline-2,5-dione adduct of 1-oxa-4-thia-6-vinyl-spiro[4.5]dec-6-ene","2-methyl-5,7,8,9,10,10a-hexahydro-1H-1,2,4-triazolo[1,2-a]cinnoline-7-spiro- 2'-[1,3]oxathiolane-1,3-dione","","- C13 H17 N3 O3 S -","- C13 H17 N3 O3 S -","- C52 H68 N12 O12 S4 -","4","1","DA1148","Parvez, Masood; Yadav, Veejendra K.; Senthil, Govindaraji","Some Diels‒Alder adducts of 6-vinyl-1-oxa-4-thiaspiro[4.5]dec-6-ene","Acta Crystallographica Section C","2001","57","1","82","85","10.1107/S0108270100013597","","","0.71069","MoKα","","0.113","0.042","","","","0.13","","","","","","1","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00","" "2011698","6.812","0.003","10.494","0.007","11.023","0.005","96.014","0.007","90.97","0.01","90.21","0.02","783.5","0.7","293","2","293","2","","","","","","","","4","P -1","-P 1","2","Dimethylacetylene dicarboxylate adduct of 1-oxa-4-thia-6-vinyl-spiro[4.5]dec-6-ene","dimethyl 1,2,3,4,4a,7-hexahydronaphthalene-1-spiro-2'-[1,3]oxathiolane-5,6-dicarboxylate","","- C16 H20 O5 S -","- C16 H20 O5 S -","- C32 H40 O10 S2 -","2","1","DA1148","Parvez, Masood; Yadav, Veejendra K.; Senthil, Govindaraji","Some Diels‒Alder adducts of 6-vinyl-1-oxa-4-thiaspiro[4.5]dec-6-ene","Acta Crystallographica Section C","2001","57","1","82","85","10.1107/S0108270100013597","","","1.54178","CuKα","","0.067","0.054","","","","0.17","","","","","","1.06","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00","" "2011699","10.369","0.002","20.791","0.003","8.071","0.003","90","","90","","90","","1740","0.8","170","2","170","2","","","","","","","","4","P n a 21","P 2c -2n","33","1-Oxa-4-thiaspiro[4.5]decane","ethyl 6-benzylidene-1-oxa-4-thiaspiro[4.5]decane-7-acetate","","- C19 H24 O3 S -","- C19 H24 O3 S -","- C76 H96 O12 S4 -","4","1","DA1149","Parvez, Masood; Yadav, Veejendra K.; Senthil, Govindaraji","Johnson orthoester Claisen rearrangement products of some (1-oxa-4-thiaspiro[4.5]dec-6-en-6-yl)alkanols","Acta Crystallographica Section C","2001","57","1","79","81","10.1107/S0108270100013603","","","0.71069","MoKα","","0.129","0.044","","","","0.14","","","","","","1.01","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00","" "2011700","7.243","0.002","11.541","0.001","22.18","0.005","90","","94.09","0.02","90","","1849.3","0.7","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","1-Oxa-4-thiaspiro[4.5]decane","2-(6-ethylidene-1-oxa-4-thiaspiro[4.5]decan-7-yl)ethyl 4-bromobenzoate","","- C19 H23 Br O3 S -","- C19 H23 Br O3 S -","- C76 H92 Br4 O12 S4 -","4","1","DA1149","Parvez, Masood; Yadav, Veejendra K.; Senthil, Govindaraji","Johnson orthoester Claisen rearrangement products of some (1-oxa-4-thiaspiro[4.5]dec-6-en-6-yl)alkanols","Acta Crystallographica Section C","2001","57","1","79","81","10.1107/S0108270100013603","","","1.54178","CuKα","","0.091","0.054","","","","0.164","","","","","","1.04","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00","" "2011701","7.375","0.002","20.065","0.003","9.8088","0.0009","90","","91.717","0.007","90","","1450.8","0.5","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","trans-dinitro[2-hydroxo-4-methyl-5,8,12-triazadodec-2-ene-4-imine] cobalt(III)","","- C10 H20 Co N5 O5 -","- C10 H20 Co N5 O5 -","- C40 H80 Co4 N20 O20 -","4","1","DA1150","Chun, Hyungphil; Bernal, Ivan","Conformational isomers of neutral trans-dinitrocobalt(III) complexes","Acta Crystallographica Section C","2001","57","1","33","35","10.1107/S0108270100014463","","","0.71073","MoKα","","0.0514","0.026","","0.0697","","0.0643","","","1.014","","","1.122","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00","" "2011702","7.923","0.003","13.105","0.001","14.0273","0.0013","90","","91.908","0.01","90","","1455.7","0.6","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","trans-dinitro[2-hydroxo-4-methyl-5,8,12-triazadodec-2-ene-4-imine] cobalt(III)","","- C10 H20 Co N5 O5 -","- C10 H20 Co N5 O5 -","- C40 H80 Co4 N20 O20 -","4","1","DA1150","Chun, Hyungphil; Bernal, Ivan","Conformational isomers of neutral trans-dinitrocobalt(III) complexes","Acta Crystallographica Section C","2001","57","1","33","35","10.1107/S0108270100014463","","","0.71073","MoKα","","0.0501","0.0323","","0.1093","","0.1048","","","1.142","","","1.266","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00","" "2011703","8.9499","0.0009","14.5","0.002","7.7348","0.0011","90","","101.63","0.01","90","","983.2","0.2","220","2","220","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H24 Cl2 Cu S6 -","- C12 H24 Cl2 Cu S6 -","- C24 H48 Cl4 Cu2 S12 -","2","0.5","DA1153","Blake, Alexander J.; Lippolis, Vito; Parsons, Simon; Schröder, Martin","catena-Poly[[trans-dichlorocopper(II)]-μ-1,4,7,10,13,16-hexathiacyclooctadecane-S^1^:S^10^]","Acta Crystallographica Section C","2001","57","1","36","37","10.1107/S0108270100014475","","","1.5418","CuKα","","0.0492","0.0397","","0.107","0.0981","","","","1.03","1.06","1.06","","","","","has coordinates","176760","2020-10-21","18:00:00","" "2011704","8.0595","0.0007","3.8631","0.0002","11.812","0.001","90","","90.16","0.008","90","","367.76","0.05","293","","","","","","","","","","","4","P 1 c 1","P -2yc","7","","p-Formamidebenzoic acid","","- C8 H7 N O3 -","- C8 H7 N O3 -","- C16 H14 N2 O6 -","2","1","DA1154","Novoa de Armas, Héctor; Peeters, Oswald M.; Blaton, Norbert M.; De Ranter, Camiel J.; Xuárez Marill, Lisbet","p-Formamidobenzoic acid","Acta Crystallographica Section C","2001","57","1","86","87","10.1107/S0108270100013615","","","1.54184","CuKα","","0.046","0.046","","0.129","","0.129","","","1.134","","","1.134","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00","" "2011705","11.088","0.002","6.884","0.001","21.976","0.004","90","","90","","90","","1677.4","0.5","293","2","150","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","1-phenyl-4-nitroimidazole","","- C9 H7 N3 O2 -","- C9 H7 N3 O2 -","- C72 H56 N24 O16 -","8","1","DE1151","Kubicki, Maciej; Borowiak, Teresa; Suwiński, Jerzy; Wagner, Paweł","Two 1-substituted 4-nitroimidazoles","Acta Crystallographica Section C","2001","57","1","106","108","10.1107/S0108270100014852","","","0.71073","MoKα","","0.0504","0.0349","","","","0.0957","","","","","","1.079","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00","" "2011706","14.143","0.003","3.888","0.001","20.66","0.004","90","","94.92","0.03","90","","1131.9","0.4","293","2","301","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1-(1-phenyl-4-imidazolyl)-4-nitroimidazole","","- C12 H9 N5 O2 -","- C12 H9 N5 O2 -","- C48 H36 N20 O8 -","4","1","DE1151","Kubicki, Maciej; Borowiak, Teresa; Suwiński, Jerzy; Wagner, Paweł","Two 1-substituted 4-nitroimidazoles","Acta Crystallographica Section C","2001","57","1","106","108","10.1107/S0108270100014852","","","0.71073","MoKα","","0.1627","0.0456","","","","0.1047","","","","","","0.781","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00","" "2011707","9.026","0.001","12.623","0.002","10.683","0.001","90","","113.9","0.01","90","","1112.8","0.3","298","2","298","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Bis{2-[bis(2-aminoethyl)amino]ethanol}-nickel(II) perchlorate","","- C12 H34 Cl2 N6 Ni O10 -","- C12 H34 Cl2 N6 Ni O10 -","- C24 H68 Cl4 N12 Ni2 O20 -","2","0.5","DE1158","Xia, Jiang; Sun, Wei-Yin; Xu, Yan; Yu, Kai-Bei; Tang, Wen-xia","Hydrogen bonds in the framework of bis{2-[bis(2-aminoethyl)amino]ethanol}nickel(II) diperchlorate","Acta Crystallographica Section C","2001","57","1","38","39","10.1107/S0108270100014682","","","0.71073","MoKα","","0.0454","0.0367","","","","0.1052","","","","","","1.064","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00","" "2011708","8.169","0.016","12.841","0.003","14.772","0.003","72.6","0.03","75.54","0.03","72.64","0.03","1389","3","293","2","293","2","","","","","","","","4","P -1","-P 1","2","3-Acetyl-1,2,6,7,12,12b-hexahydroindolo[2,3-a]quinolizin-2-one.","3-Acetyl-1,2,6,7,12,12b-hexahydroindolo[2,3-a]quinolizin-2-one.","","- C17 H16 N2 O2 -","- C17 H16 N2 O2 -","- C68 H64 N8 O8 -","4","2","FR1299","Varma, Ashok K.; Nangia, Ashwini; Desiraju, Gautam R.; Giri, Venkatachalam S.; Jaisankar, Parasuraman","Hydrogen bonding in two tetracyclic indole alkaloids","Acta Crystallographica Section C","2001","57","1","97","99","10.1107/S0108270100014220","","","0.71073","MoKα","","0.0786","0.0466","","","","0.1306","","","","","","1.072","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00","" "2011709","7.307","0.015","9.405","0.002","10.989","0.002","94.82","0.03","108.84","0.03","90.96","0.03","711.4","1.5","293","2","293","2","","","","","","","","4","P -1","-P 1","2","3-Acetyl-4-oxo-6,7-dihydro-12H-indolo[2,3-a]quinolizine monohytrate","3-Acetyl-4-oxo-6,7-dihydro-12H-indolo[2,3-a]quinolizine monohydrate","","- C17 H16 N2 O3 -","- C17 H16 N2 O3 -","- C34 H32 N4 O6 -","2","1","FR1299","Varma, Ashok K.; Nangia, Ashwini; Desiraju, Gautam R.; Giri, Venkatachalam S.; Jaisankar, Parasuraman","Hydrogen bonding in two tetracyclic indole alkaloids","Acta Crystallographica Section C","2001","57","1","97","99","10.1107/S0108270100014220","","","0.71073","MoKα","","0.1574","0.0624","","0.1668","","0.1167","","","1.031","","","1.156","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00","" "2011710","13.462","0.004","5.079","0.004","14.127","0.004","90","0.04","111.53","0.04","90","0.04","898.5","0.8","293","2","273","2","","","","","","","","4","P 1 21 1","P 2yb","4","","1-Methylindole-3-carboxyaldehyde oxime","","- C10 H10 N2 O -","- C10 H10 N2 O -","- C40 H40 N8 O4 -","4","2","GD1087","Janes, Robert W.; Potter, Brian S.; Naylor, Matthew A.; Ferguson, Amanda C.; Patel, Kantilal B.; Stratford, Michael R. L.; Wardman, Peter; Everett, Steven A.","1-Methylindole-3-carboxaldehyde oxime derivatives","Acta Crystallographica Section C","2001","57","1","58","61","10.1107/S0108270100005795","","","1.5418","CuKα","","0.144","0.049","","","","0.129","","","","","","1.001","","","","has coordinates","201957","2020-10-21","18:00:00","" "2011711","8.2351","0.0002","15.8892","0.0007","17.807","0.0011","71.148","0.004","81.245","0.004","75.124","0.003","2125.02","0.18","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","(E)-5-Methoxy-1-Methylindole-3-carboxyaldehyde oxime","","- C11 H12 N2 O2 -","- C11 H12 N2 O2 -","- C88 H96 N16 O16 -","8","4","GD1087","Janes, Robert W.; Potter, Brian S.; Naylor, Matthew A.; Ferguson, Amanda C.; Patel, Kantilal B.; Stratford, Michael R. L.; Wardman, Peter; Everett, Steven A.","1-Methylindole-3-carboxaldehyde oxime derivatives","Acta Crystallographica Section C","2001","57","1","58","61","10.1107/S0108270100005795","","","1.5418","CuKα","","0.11","0.054","","","","0.173","","","","","","1.046","","","","has coordinates","201957","2020-10-21","18:00:00","" "2011712","8.0746","0.0008","11.4613","0.0011","9.1121","0.0009","90","","90.338","0.002","90","","843.27","0.14","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","pseudokobusine","Hetisan-6, 11(β), 15(β)-triol","","- C20 H27 N O3 -","- C20 H27 N O3 -","- C40 H54 N2 O6 -","2","1","GG1019","Bhattacharyya, Kinkini; Kar, Tanusree; Bocelli, Gabriele; Righi, Lara; Joshi, Balwant Shankar","Pseudokobusine","Acta Crystallographica Section C","2001","57","1","68","69","10.1107/S0108270100012828","","","0.71073","MoKα","","0.097","0.044","","","","0.094","","","","","","0.813","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00","" "2011713","24.6342","0.0007","11.7501","0.0002","21.4967","0.0007","90","","102.397","0.001","90","","6077.2","0.3","150","2","150","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","3,6,9,16,19,22-Hexa-azatricyclo[22.2.2.2^11,14^]triconta- 1(26),11(29),12,14(30),24,27-hexaene‒3,5-dinitrobenzoic acid‒methanol (1/4/2)","","- C54 H62 N14 O26 -","- C54 H62 N14 O26 -","- C216 H248 N56 O104 -","4","0.5","GG1023","Burchell, Colin J.; Ferguson, George; Lough, Alan J.; Glidewell, Christopher","A hydrogen-bonded adduct containing seven-component supramolecular aggregates","Acta Crystallographica Section C","2001","57","1","88","91","10.1107/S0108270100013792","","","0.71073","MoKα","","0.096","0.058","","","","0.137","","","","","","1.04","","","","has coordinates,has disorder","176760","2020-10-21","18:00:00","" "2011714","10.5885","0.0004","11.584","0.0006","11.8301","0.0006","61.453","0.002","80.999","0.003","64.055","0.003","1143.62","0.1","150","1","150","1","","","","","","","","4","P -1","-P 1","2","","4,4'-Trimethylenedipiperidine‒benzene-1,2,4,5-tetracarboxylic acid‒water (1/1/1)","","- C23 H34 N2 O9 -","- C23 H34 N2 O9 -","- C46 H68 N4 O18 -","2","1","GG1025","Burchell, Colin J.; Ferguson, George; Lough, Alan J.; Glidewell, Christopher","A three-dimensional hydrogen-bonded framework in 4,4'-trimethylenedipiperidinium‒2,5-dicarboxybenzene-1,4-dicarboxylate‒water (1/1/1)","Acta Crystallographica Section C","2001","57","1","92","94","10.1107/S0108270100014013","","","0.71073","MoKα","","0.084","0.051","","","","0.118","","","","","","1.02","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00","" "2011715","12.4285","0.0014","14.4182","0.0014","17.8511","0.0018","90","","100.129","0.003","90","","3149","0.6","143","2","143","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","2,4-Bis{[6-(2,2-dimethylpropyl)-3-ethyl-1,3-benzothiazol-2(3H)-ylidene]methyl}-cyclobutenediylium-1,3-diolate","","- C34 H40 N2 O2 S2 -","- C34 H40 N2 O2 S2 -","- C136 H160 N8 O8 S8 -","4","1","GG1026","Lawrentz, Ulf; Grahn, Walter; Dix, Ina; Jones, Peter G.","2,4-Bis{[6-(2,2-dimethylpropyl)-3-ethyl-1,3-benzothiazol-2(3H)-ylidene]methyl}cyclobutenediylium-1,3-diolate","Acta Crystallographica Section C","2001","57","1","126","128","10.1107/S0108270100015626","","","0.71073","MoKα","","0.087","0.041","","","","0.092","","","","","","0.9","","","","has coordinates,has Fobs","194651","2020-10-21","18:00:00","" "2011716","9.2955","0.0001","8.6076","0.0001","26.5354","0.0003","90","","96.44","0.001","90","","2109.75","0.04","100","2","","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C23 H23 N O2 S Si -","- C23 H23 N O2 S Si -","- C92 H92 N4 O8 S4 Si4 -","4","1","GG1028","Matthews, Jennifer L.; McArthur, Duncan R.; Muir, Kenneth W.; White, David N.J.","3,3-Diphenyl-6-(p-toluenesulfonyl)-6-aza-3-silabicyclo[3.1.0]hexane","Acta Crystallographica Section C","2001","57","1","120","122","10.1107/S0108270100015638","","","0.71073","MoKα","","","0.041","","","","0.116","","","","","","1.04","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00","" "2011717","9.4105","0.0002","8.6979","0.0001","26.7515","0.0005","90","","95.993","0.001","90","","2177.69","0.07","293","2","","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C23 H23 N O2 S Si -","- C23 H23 N O2 S Si -","- C92 H92 N4 O8 S4 Si4 -","4","1","GG1028","Matthews, Jennifer L.; McArthur, Duncan R.; Muir, Kenneth W.; White, David N.J.","3,3-Diphenyl-6-(p-toluenesulfonyl)-6-aza-3-silabicyclo[3.1.0]hexane","Acta Crystallographica Section C","2001","57","1","120","122","10.1107/S0108270100015638","","","0.71073","MoKα","","","0.0448","","","","0.1307","","","","","","1.032","","","","has coordinates","201957","2020-10-21","18:00:00","" "2011718","9.4106","0.0006","8.6993","0.0003","26.7493","0.0016","90","","96","0.005","90","","2177.9","0.2","293","2","","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C23 H23 N O2 S Si -","- C23 H23 N O2 S Si -","- C92 H92 N4 O8 S4 Si4 -","4","1","GG1028","Matthews, Jennifer L.; McArthur, Duncan R.; Muir, Kenneth W.; White, David N.J.","3,3-Diphenyl-6-(p-toluenesulfonyl)-6-aza-3-silabicyclo[3.1.0]hexane","Acta Crystallographica Section C","2001","57","1","120","122","10.1107/S0108270100015638","","","0.71073","MoKα","","","0.0471","","","","0.1351","","","","","","0.988","","","","has coordinates","201957","2020-10-21","18:00:00","" "2011719","11.0323","0.0007","11.7742","0.0004","14.1121","0.0009","90","","99.38","0.002","90","","1808.6","0.17","298","","","","","","","","","","","4","P 1 21 1","P 2yb","4","","Dimethyl 3-benzyl-2-(4-methyl-2,5-dioxoimidazolidin-1-yl)butanedioate","","- C17 H20 N2 O6 -","- C17 H20 N2 O6 -","- C68 H80 N8 O24 -","4","2","GS1100","Rolland, Marc; Jenhi, Aicha; Lavergne, Jean-Pierre; Martinez, Jean; Hasnaoui, Aïssa","Diméthyl 3-benzyl-2-(4-méthyl-2,5-dioxoimidazolidin-1-yl)butanedioate","Acta Crystallographica Section C","2001","57","1","62","63","10.1107/S0108270100010830","","","0.71073","MoKα","","0.069","0.052","","","","0.048","","","1.215","","","1.241","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00","" "2011720","6.6653","0.0006","5.0767","0.0004","22.615","0.002","90","","95.262","0.002","90","","762.02","0.11","293","2","","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C17 H23 N O2 -","- C17 H23 N O2 -","- C34 H46 N2 O4 -","2","1","GS1106","Abdelhalim, Guelzim; Belloli, Emmanuelle; Yous, Said; Vaccher, Claude","Absolute configuration of N-[(‒)-2-(7-methoxy-1,2,3,4-tetrahydro-1-naphthyl)ethyl]cyclopropylcarboxamide, a highly potent and selective melatonin analogue","Acta Crystallographica Section C","2001","57","1","100","101","10.1107/S0108270100014724","","","0.71073","MoKα","","0.0392","0.036","","","","0.1069","","","","","","1.062","","","","has coordinates","201957","2020-10-21","18:00:00","" "2011721","7.8836","0.0012","20.134","0.003","6.089","0.004","90","","109.32","0.03","90","","912","0.6","293","2","293","2","","","","","","","","6","C 1 c 1","C -2yc","9","μ-chloro(tricinato-N,O,O')copper(II)","","","- C6 H12 Cl Cu N O5 -","- C6 H12 Cl Cu N O5 -","- C24 H48 Cl4 Cu4 N4 O20 -","4","1","","Ramos Silva, M.; Paixão, J. A.; Matos Beja, A.; Alte da Veiga, L.","Conformational flexibility of tricine as a chelating agent in catena-poly[[(tricinato)copper(II)]-μ-chloro]","Acta Crystallographica, Section C","2001","57","","09","11","10.1107/S0108270100014281","","","","","","","","","","","","","","","","","","","","","has coordinates","176760","2020-10-21","18:00:00","" "2011722","7.047","0.004","12.9533","0.0013","7.297","0.002","90","","100.25","0.016","90","","655.5","0.4","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C6 H14 Cl2 Cu N6 O4 -","- C6 H14 Cl2 Cu N6 O4 -","- C12 H28 Cl4 Cu2 N12 O8 -","2","0.5","","Ramos Silva, M.; Paixão, J. A.; Matos Beja, A.; Alte da Veiga, L.","Dichlorobis(glycocyamine-O)copper(II)","Acta Crystallographica, Section C","2001","57","","07","08","10.1107/S0108270100013469","","","","","","","","","","","","","","","","","","","","","has coordinates","176760","2020-10-21","18:00:00","" "2011723","11.8623","0.0002","16.3674","0.0001","14.1767","0.0002","90","","111.943","0.001","90","","2553.08","0.06","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Dichorobis(2-benzyl)benzimidazolo Zinc(II)","","- C28 H24 Cl2 N4 Zn -","- C28 H24 Cl2 N4 Zn -","- C112 H96 Cl8 N16 Zn4 -","4","1","LN1109","Bei, Fengli; Jian, Fangfang; Yang, Xujie; Lu, Lude; Wang, Xin; Razak, Ibrahim Abdul; Shanmuga Sundara Raj, S.; Fun, Hoong-Kun","Bis(2-benzyl-1H-benzimidazole-N^3^)dichorozinc(II)","Acta Crystallographica Section C","2001","57","1","45","46","10.1107/S0108270100014876","","","0.71073","MoKα","","0.082","0.051","","","","0.133","","","","","","0.93","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00","" "2011724","9.1333","0.0007","7.431","0.0004","14.7171","0.0012","90","","101.052","0.009","90","","980.32","0.13","130","2","130","2","","","","","","","","4","P 1 21 1","P 2yb","4","4,4'-Bipyridine dihydrate","","","- C10 H12 N2 O2 -","- C10 H12 N2 O2 -","- C40 H48 N8 O8 -","4","2","LN1112","Näther, Christian; Riedel, Jens; Jeß, Inke","4,4'-Bipyridine dihydrate at 130K","Acta Crystallographica Section C","2001","57","1","111","112","10.1107/S0108270100014888","","","0.71073","MoKα","","0.073","0.041","","","","0.126","","","","","","1.017","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00","" "2011725","9.2248","0.0005","17.6451","0.0015","30.282","0.003","90","","90","","90","","4929.1","0.7","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C51 H69 Cl3 O7 -","- C51 H69 Cl3 O7 -","- C204 H276 Cl12 O28 -","4","1","NA1482","Thuéry, Pierre; Nierlich, Martine; Vicens, Jacques; Masci, Bernardo","A 1:1:1 chloroform/tetrahydrofuran solvate of p-tert-butyltetrahomodioxacalix[4]arene","Acta Crystallographica Section C","2001","57","1","70","71","10.1107/S0108270100013329","","","0.71073","MoKα","","0.1356","0.0775","","","","0.213","","","","","","0.96","","","","has coordinates","201957","2020-10-21","18:00:00","" "2011726","12.373","0.002","31.939","0.002","11.064","0.002","90","","90","","90","","4372.3","1.1","294","2","294","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C43 H68 O11 -","- C43 H68 O11 -","- C172 H272 O44 -","4","1","NA1483","Allen, Paul; Brimble, Margaret A.; Turner, Peter","Polyether antibiotic CP44,161","Acta Crystallographica Section C","2001","57","1","95","96","10.1107/S0108270100013950","","","0.71069","MoKα","","0.1518","0.0387","","","","0.1258","","","","","","0.942","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00","" "2011727","7.677","0.002","7.915","0.003","20.408","0.005","90","","99.64","0.02","90","","1222.6","0.6","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","N-(8-quinolyl)-2-pyridinecarboxamide","","- C15 H11 N3 O -","- C15 H11 N3 O -","- C60 H44 N12 O4 -","4","1","NA1484","Zhang, Junyong; Liu, Qin; Xu, Yan; Zhang, Yong; You, Xiaozeng; Guo, Zijian","N-(8-Quinolyl)pyridine-2-carboxamide","Acta Crystallographica Section C","2001","57","1","109","110","10.1107/S0108270100015158","","","0.71073","MoKα","","0.08","0.046","","","","0.122","","","","","","1.073","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00","" "2011728","13.5489","0.0013","7.4975","0.001","13.6783","0.0012","90","","110.309","0.008","90","","1303.1","0.3","291","1","291","1","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","4,4'-Dibromo-2,2',3,3',5,5',6,6'-octafluorobiphenyl","","- C12 Br2 F8 -","- C12 Br2 F8 -","- C48 Br8 F32 -","4","1","NA1487","Pilati, Tullio; Metrangolo, Pierangelo; Resnati, Giuseppe","4,4'-Dibromo-2,2',3,3',5,5',6,6'-octafluorobiphenyl","Acta Crystallographica Section C","2001","57","1","113","114","10.1107/S0108270100015419","","","0.71069","MoKα","","0.068","0.034","","","","0.063","","","","","","0.83","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00","" "2011729","9.56","0.002","10.806","0.002","12.462","0.002","91.96","0.03","96.21","0.03","92.37","0.03","1277.8","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C32 H16 Cl N8 Sb -","- C32 H16 Cl N8 Sb -","- C64 H32 Cl2 N16 Sb2 -","2","1","NA1489","Janczak, Jan; Kubiak, Ryszard","[Phthalocyaninato(2‒)]antimony(III) chloride","Acta Crystallographica Section C","2001","57","1","55","57","10.1107/S0108270100015420","","","0.71073","MoKα","","0.1174","0.0498","","","","0.0605","","","","","","1.026","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00","" "2011730","33.622","0.007","10.562","0.002","7.067","0.001","90","","90","","90","","2509.6","0.8","293","2","295","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C11 H12 N6 O4 -","- C11 H12 N6 O4 -","- C88 H96 N48 O32 -","8","1","NA1491","Janczak, Jan; Perpétuo, Genivaldo Julio","Melaminium phthalate","Acta Crystallographica Section C","2001","57","1","123","125","10.1107/S0108270100016607","","","0.71073","MoKα","","0.1267","0.0456","","","","0.1257","","","","","","1.005","","","","has coordinates","209447","2020-10-21","18:00:00","" "2011731","17.258","0.004","17.614","0.004","6.925","0.002","90","","90","","90","","2105.1","0.9","298","","298","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C6 H6 Ba Cl2 O7 -","- C6 H6 Ba Cl2 O7 -","- C48 H48 Ba8 Cl16 O56 -","8","1","OA1107","Kashino, Setsuo; Ishida, Hiroyuki; Fukunaga, Takeo; Oishi, Shuji","A new polymorph of barium chloroanilate trihydrate","Acta Crystallographica Section C","2001","57","1","18","19","10.1107/S0108270100013639","","","0.71073","MoKα","","0.071","0.06","","0.067","","0.065","","","1.608","","","1.67","","","","has coordinates,has Fobs","189185","2020-10-21","18:00:00","" "2011732","7.3928","0.0018","14.1176","0.0011","15.7262","0.0016","92.439","0.008","96.573","0.014","104.249","0.011","1576.1","0.4","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","Bis-[3,6-bis(6-methyl-2-pyridyl)pyridazine-κ^2^N^2^,N^3^]chlorocopper(II) perchlorate","","- C32 H28 Cl2 Cu N8 O4 -","- C32 H28 Cl2 Cu N8 O4 -","- C64 H56 Cl4 Cu2 N16 O8 -","2","1","OA1109","Choi, Ki-Young; Sung, Nack-Do; Yun, Ki-Seob; Park, Young-Soo; Kim, Jin-Gyu; Suh, Il-Hwan","Bis[3,6-bis(6-methyl-2-pyridyl)pyridazine-κ^2^N^2^,N^3^]chlorocopper(II) perchlorate","Acta Crystallographica Section C","2001","57","1","47","48","10.1107/S0108270100015171","","","0.71073","MoKα","","0.107","0.06","","","","0.153","","","","","","1.019","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00","" "2011733","7.595","0.001","7.498","0.001","27.277","0.002","90","","95.332","0.007","90","","1546.6","0.3","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","4-{[(1E)-(2-Hydroxyphenyl)methylidene]amino}-1,5-dimethyl-2-phenyl-1,2-dihydro -3H-pyrazol-3-one","","- C18 H17 N3 O2 -","- C18 H17 N3 O2 -","- C72 H68 N12 O8 -","4","1","OS1128","Hökelek, Tuncer; Işıklan, Muhammed; Kılıç, Zeynel","4-{[(1E)-(2-Hydroxyphenyl)methylidene]amino}-1,5-dimethyl-2-phenyl-2,3-dihydro-1H-pyrazol-3-one","Acta Crystallographica Section C","2001","57","1","117","119","10.1107/S0108270100015535","","","1.5418","CuKα","","0.078","0.066","","","","0.18","","","","","","0.802","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00","" "2011734","7.5259","0.0015","14.25","0.003","14.565","0.003","111.79","0.03","90.72","0.03","90.92","0.03","1449.9","0.6","293","2","293","2","","","","","","","","6","P -1","-P 1","2","Tris{bis[N-(2-aminoethyl)-1,2-ethanediamine-κ^3^N]nickel(II)} bis(tetrathioantimonate)","","","- C24 H78 N18 Ni3 S8 Sb2 -","- C24 H78 N18 Ni3 S8 Sb2 -","- C24 H78 N18 Ni3 S8 Sb2 -","1","0.5","SK1394","Stähler, Ralph; Näther, Christian; Bensch, Wolfgang","Tris{bis[N-(2-aminoethyl)-1,2-ethanediamine-κ^3^N]nickel(II)} bis(tetrathioantimonate)","Acta Crystallographica Section C","2001","57","1","26","27","10.1107/S0108270100014359","","","0.71073","MoKα","","0.038","0.027","","","","0.071","","","","","","1.047","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00","" "2011735","12.7108","0.0008","7.4801","0.0006","14.2397","0.0009","90","","110.542","0.005","90","","1267.8","0.16","294","1","294","1","","","","","","","","5","P 1 21/a 1","-P 2yab","14","Ferrocenylthiophene carboxylic acid","2-(Ferrocenyl)thiophene-3-carboxylic acid","","- C15 H12 Fe O2 S -","- C15 H12 Fe O2 S -","- C60 H48 Fe4 O8 S4 -","4","1","SK1424","Gallagher, John F.; Hudson, Richard D. A.; Manning, A. R.","Intermolecular O—H···O and C—H···π(C~5~H~5~), and intramolecular C—H···O interactions in 2-(ferrocenyl)thiophene-3-carboxylic acid","Acta Crystallographica Section C","2001","57","1","28","30","10.1107/S0108270100014360","","","0.71073","MoKα","","0.045","0.033","","","","0.082","","","","","","1.05","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00","" "2011736","18.169","0.004","9.801","0.002","12.726","0.003","90","","126.96","0.03","90","","1810.8","1","130","2","130","2","","","","","","","","4","C 1 2 1","C 2y","5","(-)-Argemonine hemihydrate","(6S,12S)-2,3,8,9-tetramethoxy-13-methyl-13- azadibenzo[b,f]bicyclo[3.3.1]nona-2,6-diene hemihydrate","","- C21 H26 N O4.5 -","- C21 H26 N O4.5 -","- C84 H104 N4 O18 -","4","1","SX1108","Nečas, Marek; Dostál, Jiří; Slavík, Jiří","(‒)-Argemonine hemihydrate","Acta Crystallographica Section C","2001","57","1","66","67","10.1107/S010827010001252X","","","0.71073","MoKα","","0.028","0.028","","","","0.077","","","","","","1.057","","","","has coordinates","201957","2020-10-21","18:00:00","" "2011737","10.5807","0.0015","5.65","0.002","12.093","0.003","90","0.03","113.83","0.01","90","0.02","661.3","0.3","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Glycinium oxalate","Glycinium oxalate","","- C4 H7 N O6 -","- C4 H7 N O6 -","- C16 H28 N4 O24 -","4","1","VJ1115","Subha Nandhini, M.; Krishnakumar, R.V.; Natarajan, S.","Glycinium oxalate","Acta Crystallographica Section C","2001","57","1","115","116","10.1107/S0108270100015456","","","1.5418","CuKα","","0.0362","0.0358","","","","0.1059","","","","","","1.205","","","","has coordinates","201957","2020-10-21","18:00:00","" "2011738","13.5437","0.0005","8.8923","0.0001","9.7121","0.0004","90","","103.593","0.002","90","","1136.91","0.06","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","aqua(η^2^-allylammonium)bis(sulfamato-N)copper(I)","","- C3 H14 Cu N3 O7 S2 -","- C3 H14 Cu N3 O7 S2 -","- C12 H56 Cu4 N12 O28 S8 -","4","1","AV1052","Melnyk, Oksana P.; Schollmeyer, Dieter; Olijnyk, Volodymyr V.; Filinchuk, Yaroslav E.","(η^2^-Allylammonium)aquabis(sulfamato-N)copper(I)","Acta Crystallographica Section C","2001","57","2","151","153","10.1107/S0108270100016218","","","1.54178","CuKα","","0.042","0.0417","","","","0.1167","","","","","","1.251","","","","has coordinates","176760","2020-10-21","18:00:00","" "2011739","6.78","0.001","6.112","0.001","10.694","0.002","90","","107.25","0.01","90","","423.22","0.12","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","1,5-diaminotetrazole","1,5-diaminotetrazole","","- C H4 N6 -","- C H4 N6 -","- C4 H16 N24 -","4","1","AV1058","Lyakhov, Alexander S.; Gaponik, Pavel N.; Voitekhovich, Sergei V.","1,5-Diamino-1H-1,2,3,4-tetrazole","Acta Crystallographica Section C","2001","57","2","185","186","10.1107/S010827010001622X","","","0.71069","MoKα","","0.0459","0.0408","","","","0.1316","","","","","","1.077","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00","" "2011740","5.944","0.001","11.2","0.002","11.899","0.002","62.58","0.01","87.14","0.02","81.32","0.02","694.9","0.2","180","2","180","2","","","","","","","","5","P -1","-P 1","2","Thiophenolate sodium tetramethylethylenediamine","","","- C12 H21 N2 Na S -","- C12 H21 N2 Na S -","- C24 H42 N4 Na2 S2 -","2","1","AV1063","Heigel, Erik; Bock, Hans; Krenzel, Volker; Sievert, Mark","Sodium thiophenolate N,N,N',N'-tetramethylethylenediamine","Acta Crystallographica Section C","2001","57","2","154","155","10.1107/S0108270100016589","","","0.71073","MoKα","","0.0422","0.0345","","","","0.0939","","","","","","1.052","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00","" "2011741","8.505","0.003","9.541","0.003","6.827","0.002","90","","115.33","0.03","90","","500.7","0.3","145.2","","145.2","","","","","","","","","5","C 1 2/m 1","-C 2y","12","","Quinolizinium hexafluorophosphate","","- C9 H8 F6 N P -","- C9 H8 F6 N P -","- C18 H16 F12 N2 P2 -","2","0.25","BJ1008","Sato, Kiyoshi; Arai, Sadao; Yamagishi, Takamichi; Tanase, Tomoaki","Quinolizinium hexafluorophosphate","Acta Crystallographica Section C","2001","57","2","174","175","10.1107/S0108270100015742","","","0.7107","MoKα","","0.028","0.025","","","","0.068","","","","","","1.086","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00","" "2011742","17.3138","0.0005","7.333","0.0001","16.8507","0.0005","90","","117.838","0.001","90","","1891.81","0.08","150","2","150","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","2',4',6'-trihydroxy-1-methoxyacetophenone","","- C9 H12 O6 -","- C9 H12 O6 -","- C72 H96 O48 -","8","1","BJ1012","Ferreira, Ester S. B.; Hulme, Alison N.; McNab, Hamish; Parsons, Simon; Quye, Anita","2',4',6'-Trihydroxy-1-methoxyacetophenone monohydrate at 150K","Acta Crystallographica Section C","2001","57","2","211","212","10.1107/S0108270100018485","","","0.71073","MoKα","","0.0641","0.0405","","","","0.1091","","","","","","1.05","","","","has coordinates","201957","2020-10-21","18:00:00","" "2011743","10.698","0.005","8.939","0.004","23.026","0.011","90","","91.66","0.04","90","","2201","1.8","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Methyl 3-oxo-2-(triphenylphosphoranylidene)butyrate","","- C26 H24 O3 P -","- C26 H24 O3 P -","- C104 H96 O12 P4 -","4","1","BK1566","Castañeda, Fernando; Terraza, Claudio A.; Garland, Maria Teresa; Bunton, Clifford A.; Baggio, Ricardo F.","Methyl, ethyl, isopropyl and tert-butyl 3-oxo-2-(triphenylphosphoranylidene)butyrates, a common pattern for a preferred conformation","Acta Crystallographica Section C","2001","57","2","180","184","10.1107/S0108270100016012","","","0.71073","MoKα","","0.073","0.043","","","","0.094","","","","","","1.059","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00","" "2011744","14.815","0.004","16.226","0.005","17.67","0.005","90","","90","","90","","4248","2","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","Ethyl 3-oxo-2-(triphenylphosphoranylidene)butyrate","","- C24 H23 O3 P -","- C24 H23 O3 P -","- C192 H184 O24 P8 -","8","1","BK1566","Castañeda, Fernando; Terraza, Claudio A.; Garland, Maria Teresa; Bunton, Clifford A.; Baggio, Ricardo F.","Methyl, ethyl, isopropyl and tert-butyl 3-oxo-2-(triphenylphosphoranylidene)butyrates, a common pattern for a preferred conformation","Acta Crystallographica Section C","2001","57","2","180","184","10.1107/S0108270100016012","","","0.71073","MoKα","","0.138","0.058","","","","0.124","","","","","","0.988","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00","" "2011745","14.932","0.007","16.343","0.006","17.78","0.007","90","","90","","90","","4339","3","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","i-Propyl 3-oxo-2-(triphenylphosphoranylidene)butyrate","","- C25 H25 O3 P -","- C25 H25 O3 P -","- C200 H200 O24 P8 -","8","1","BK1566","Castañeda, Fernando; Terraza, Claudio A.; Garland, Maria Teresa; Bunton, Clifford A.; Baggio, Ricardo F.","Methyl, ethyl, isopropyl and tert-butyl 3-oxo-2-(triphenylphosphoranylidene)butyrates, a common pattern for a preferred conformation","Acta Crystallographica Section C","2001","57","2","180","184","10.1107/S0108270100016012","","","0.71073","MoKα","","0.195","0.089","","","","0.16","","","","","","1.026","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00","" "2011746","9.668","0.006","13.975","0.008","16.625","0.011","90","","94.69","0.05","90","","2239","2","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","t-Butyl 3-oxo-2-(triphenylphosphoranylidene)butyrate","","- C26 H27 O3 P -","- C26 H27 O3 P -","- C104 H108 O12 P4 -","4","1","BK1566","Castañeda, Fernando; Terraza, Claudio A.; Garland, Maria Teresa; Bunton, Clifford A.; Baggio, Ricardo F.","Methyl, ethyl, isopropyl and tert-butyl 3-oxo-2-(triphenylphosphoranylidene)butyrates, a common pattern for a preferred conformation","Acta Crystallographica Section C","2001","57","2","180","184","10.1107/S0108270100016012","","","0.71073","MoKα","","0.059","0.04","","","","0.101","","","","","","1.013","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00","" "2011747","10.643","0.003","15.624","0.003","11.349","0.003","90","","110.5","0.012","90","","1767.7","0.8","143","2","143","2","","","","","","","","5","P 1 21 1","P 2yb","4","","2-aminopyridinium di(benzenesulfonyl)amidate","","- C17 H17 N3 O4 S2 -","- C17 H17 N3 O4 S2 -","- C68 H68 N12 O16 S8 -","4","2","BM1426","Wijaya, Karna; Moers, Oliver; Jones, Peter G.; Blaschette, Armand","Polysulfonylamines. CXXXII. A robust~eight-membered ring motif in the hydrogen-bonded structure of 2-aminopyridinium di(benzenesulfonyl)amidate","Acta Crystallographica Section C","2001","57","2","167","169","10.1107/S010827010001427X","","","0.71073","MoKα","","0.045","0.04","","","","0.103","","","","","","1.044","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00","" "2011748","7.474","0.003","15.262","0.006","15.87","0.008","90","","90","","90","","1810.3","1.4","150","2","150","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","Nodosin","Nodosin","","- C20 H26 O6 -","- C20 H26 O6 -","- C80 H104 O24 -","4","1","BM1432","Cox, Philip J.; Meng, Yanhui; Sarker, Satyajit D.; Deng, Qinying; Xu, Guo","Nodosin","Acta Crystallographica Section C","2001","57","2","203","204","10.1107/S0108270100017406","","","0.71073","MoKα","","0.0885","0.047","","","","0.103","","","","","","1.019","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00","" "2011749","7.1139","0.0009","39.501","0.005","14.7094","0.0013","90","","96.636","0.009","90","","4105.7","0.8","298","","298","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","[N-(4-chlorobenzoyl)-N'-(picolinylidene)hydrazinato]dioxovanadium(V)","","- C13 H9 Cl N3 O3 V -","- C13 H9 Cl N3 O3 V -","- C156 H108 Cl12 N36 O36 V12 -","12","3","BM1436","Pal, Satyanarayan; Pal, Samudranil","[N-(4-Chlorobenzoyl)-N'-(picolinylidene)hydrazinato]dioxovanadium(V)","Acta Crystallographica Section C","2001","57","2","141","142","10.1107/S0108270100017418","","","0.71073","MoKα","","0.144","0.049","","","","0.126","","","","","","1.013","","","","has coordinates,has Fobs","184014","2020-10-21","18:00:00","" "2011750","9.0793","0.0003","9.0793","0.0003","14.4862","0.0008","90","","90","","90","","1194.15","0.09","10","2","10","2","","","","","","","","3","I 4/m c m","-I 4 2c","140","","","","- Cl5 Co Cs3 -","- Cl5 Co Cs3 -","- Cl20 Co4 Cs12 -","4","0.125","BR1294","Figgis, Brian N.; Sobolev, Alexandre N.","Cs~3~CoCl~5~ at 10K","Acta Crystallographica Section C","2001","57","2","139","140","10.1107/S0108270100017297","","","0.71073","MoKα","","0.0206","0.0206","","","","0.0448","","","","","","1.442","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00","" "2011751","6.6185","0.0005","12.3948","0.0008","14.5069","0.001","90","","90.822","0.001","90","","1189.95","0.14","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","sipeimine","3β,20β-dihydroxy-6-one-5α-cevanine","","- C27 H43 N O3 -","- C27 H43 N O3 -","- C54 H86 N2 O6 -","2","1","DE1149","Jiang, Ren-Wang; Ma, Shuang-Cheng; But, Paul P. H.; Dong, Hui; Mak, Thomas C. W.","Sipeimine, a steroidal alkaloid from Fritillaria roylei Hooker","Acta Crystallographica Section C","2001","57","2","170","171","10.1107/S0108270100014499","","","0.71073","MoKα","","0.0613","0.0413","","","","0.1105","","","","","","0.992","","","","has coordinates","201957","2020-10-21","18:00:00","" "2011752","8.9889","0.001","4.977","0.002","16.79","0.004","90","","90.9","0.01","90","","751.1","0.4","293","2","293","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","Bis(Methylglycyl)terephthalamide","","- C14 H16 N2 O6 -","- C14 H16 N2 O6 -","- C28 H32 N4 O12 -","2","0.5","DE1152","Armelin, Elaine; Escudero, Encarnacion; Campos, Lourdes; Puiggali, Jordi","N,N'-Bis(methoxycarbonylmethyl)terephthalamide","Acta Crystallographica Section C","2001","57","2","172","173","10.1107/S0108270100014864","","","1.54178","CuKα","","0.075","0.069","","","","0.175","","","","","","1.491","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00","" "2011753","6.33","0.005","9.007","0.007","12.25","0.01","84.427","0.009","85.113","0.009","79.425","0.009","681.7","0.9","163","2","163","2","","","","","","","","4","P -1","-P 1","2","","4,4'-Di(2-pyridyl)-3,3'-bi-1,2,5-thiadiazole","","- C14 H8 N6 S2 -","- C14 H8 N6 S2 -","- C28 H16 N12 S4 -","2","1","DE1157","Richardson, Chris; Steel, Peter J.","4,4'-Bis(2-pyridyl)-3,3'-bi-1,2,5-thiadiazole","Acta Crystallographica Section C","2001","57","2","197","198","10.1107/S0108270100017431","","","0.71073","MoKα","","0.0566","0.0378","","","","0.0988","","","","","","0.997","","","","has coordinates","201957","2020-10-21","18:00:00","" "2011754","19.5061","0.0019","5.382","0.0005","20.976","0.002","90","","103.897","0.002","90","","2137.6","0.4","193","2","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Diquinoxalino[2,3-a:2*,3*-c]phenazine chloroform","","- C25 H13 Cl3 N6 -","- C25 H13 Cl3 N6 -","- C100 H52 Cl12 N24 -","4","1","DE1159","Du, Miao; Bu, Xian-He; Biradha, Kumar","A large delocalized π-electron system: diquinoxalino[2,3-a:2',3'-c]phenazine chloroform solvate","Acta Crystallographica Section C","2001","57","2","199","200","10.1107/S0108270100017443","","","0.71073","MoKα","","","0.0465","","","","0.0927","","","","","","0.814","","","","has coordinates","201957","2020-10-21","18:00:00","" "2011755","17.134","0.005","18.9575","0.0008","14.0859","0.0006","90","","111.159","0.003","90","","4266.9","1.3","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Bis(μ-2-aminopyrimidine-N^1^) tetrakis[μ-(4-nitrophenyl)acetato-O:O'] dicopper(II)","","- C40 H34 Cu2 N10 O16 -","- C40 H34 Cu2 N10 O16 -","- C160 H136 Cu8 N40 O64 -","4","1","DE1163","Lynch, Daniel E.; Duckhouse, Helen L.","Tetrakis[μ-(4-nitrophenyl)acetato-O:O']bis[(2-aminopyrimidine-N^1^)copper(II)]","Acta Crystallographica Section C","2001","57","2","158","159","10.1107/S0108270100017455","","","0.71073","MoKα","","0.1944","0.0661","","","","0.1485","","","","","","0.918","","","","has coordinates","176760","2020-10-21","18:00:00","" "2011756","17.7211","0.0008","16.005","0.0007","18.5655","0.0009","90","","94.904","0.001","90","","5246.4","0.4","173","2","173","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C52 H45 B F20 Ga2 N4 O -","- C52 H45 B F20 Ga2 N4 O -","- C208 H180 B4 F80 Ga8 N16 O4 -","4","1","FR1292","Guzei, Ilia A.; Dagorne, Samuel; Jordan, Richard F.","A cationic hydroxo-bridged dinuclear gallium complex","Acta Crystallographica Section C","2001","57","2","143","144","10.1107/S0108270100013962","","","0.71073","MoKα","","0.082","0.038","","","","0.0542","","","","","","0.996","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00","" "2011757","7.492","0.003","28.929","0.007","10.334","0.005","90","","90","","90","","2239.8","1.5","293","2","293","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","μ-[1,3-bis(5-chlorosalicylideneamino)propanol]-O,N,O':O',N',O''-μ-(3,5- dimethylpyrazolato)-N:N'-dinickel(II)","","- C22 H20 Cl2 N4 Ni2 O3 -","- C22 H20 Cl2 N4 Ni2 O3 -","- C88 H80 Cl8 N16 Ni8 O12 -","4","0.5","FR1306","Elerman, Yalc̨ın; Kara, Hülya; Prout, Keith; Chipindale, Ann","A dinuclear pyrazolato-N:N'-bridged dinickel(II) complex of 1,3-bis(5-chlorosalicylideneamino)propan-2-ol","Acta Crystallographica Section C","2001","57","2","149","150","10.1107/S0108270100015808","","","1.5418","CuKα","","0.154","0.043","","","","0.155","","","","","","1.041","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00","" "2011758","10.328","0.002","11.605","0.002","14.796","0.003","70","0.03","86.37","0.03","76.19","0.03","1617.9","0.7","105","2","105","2","","","","","","","","4","P 1","P 1","1","","","","- C33 H36 N6 O8 -","- C33 H36 N6 O8 -","- C66 H72 N12 O16 -","2","2","GD1118","Ejsmont, Krzysztof; Makowski, Maciej; Zaleski, Jacek","N-(tert-Butoxycarbonylglycyl-α,β-dehydrophenylalanylglycylphenylalanyl)-4-nitroaniline","Acta Crystallographica Section C","2001","57","2","205","207","10.1107/S0108270100017753","","","0.71073","MoKα","","0.0375","0.0319","","","","0.1053","","","","","","1.018","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00","" "2011759","30.594","0.006","10.285","0.002","7.474","0.001","90","","91.07","0.03","90","","2351.4","0.7","150","1","150","2","","","","","","","","4","C 1 2 1","C 2y","5","","4-[β-D-(tri-O-acetyl)xylopyranosyl)amino-7-carbomethoxy-6-methyl- 5-methyoxy-1H-pyrrolo[3,4-c]pyridin-1,3(2H)-dione","","- C22 H25 N3 O12 -","- C22 H25 N3 O12 -","- C88 H100 N12 O48 -","4","1","GD1119","Low, John Nicolson; Garcia, Celeste; Melguizo, Manuel; Cobo, Justo; Nogueras, Manuel; Sanchez, Adolfo; Lο'pez, M. Dolores; Light, Mark E.","A unique axially triacetylated xylopyranose structure, methyl 6-methoxy-2-methyl-1,3-dioxo-4-[(2,3,4-tri-O-acetyl-β-D-xylopyranosyl)amino]-2,3-dihydro-1H-pyrrolo[3,4-c]pyridine-7-carboxylate","Acta Crystallographica Section C","2001","57","2","222","224","10.1107/S0108270100018163","","","0.71073","MoKα","","0.1426","0.0819","","","","0.226","","","","","","0.999","","","","has coordinates","201957","2020-10-21","18:00:00","" "2011760","11.1419","0.0012","20.2089","0.0014","8.7321","0.0009","90","","110.644","0.004","90","","1839.9","0.3","180","2","180","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","N,N,N'-Trimethylethylenediammonium Chloride","","- C10 H32 Cl4 N4 -","- C10 H32 Cl4 N4 -","- C40 H128 Cl16 N16 -","4","1","GD1121","Errington, William; Somasunderam, Usha; Willey, Gerald R.","N,N,N'-Trimethylethylenediammonium dichloride","Acta Crystallographica Section C","2001","57","2","190","191","10.1107/S0108270100016176","","","0.71073","MoKα","","0.1244","0.0508","","","","0.0962","","","","","","0.98","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00","" "2011761","12.106","0.003","13.187","0.003","15.819","0.004","90","","99.62","0.02","90","","2489.9","1.1","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","(2E)-1,2-Diaza-3-phenylprop-2-enyl-tri(cyclohexyl)phosphonium chloride","","- C25 H40 Cl N2 P -","- C25 H40 Cl N2 P -","- C100 H160 Cl4 N8 P4 -","4","1","GD1122","Batsanov, Andrei S.; Howard, Judith A. K.; Snowden, David G.","[(2E)-2-Benzylidenehydrazino]tricyclohexylphosphonium chloride","Acta Crystallographica Section C","2001","57","2","195","196","10.1107/S0108270100016590","","","0.71073","MoKα","","0.0464","0.034","","","","0.0874","","","","","","1.078","","","","has coordinates","201957","2020-10-21","18:00:00","" "2011762","5.3288","0.0003","6.3696","0.0006","18.1263","0.0009","90","","95.811","0.004","90","","612.09","0.07","293","2","","","","","","","","","","4","P 1 21 1","P 2yb","4","","L-Seryl-L-leucine","","- C9 H18 N2 O4 -","- C9 H18 N2 O4 -","- C18 H36 N4 O8 -","2","1","GG1024","Słowikowska, Joanna; Lipkowski, Janusz","L-Seryl-L-leucine","Acta Crystallographica Section C","2001","57","2","187","189","10.1107/S0108270100016164","","","1.54178","CuKα","","","0.029","","","","0.077","","","","","","1.02","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00","" "2011763","9.435","0.001","10.562","0.001","14.698","0.001","97.76","0.01","102.39","0.01","105.37","0.01","1350.5","0.2","173","2","173","2","","","","","","","","8","P -1","-P 1","2","","","","- C27 H27 B F6 Fe N4 O0.5 P -","- C27 H27 B F6 Fe N4 O0.5 P -","- C54 H54 B2 F12 Fe2 N8 O P2 -","2","1","GG1027","Ding, Li; Wagner, Matthias; Bolte, Michael","Pseudopolymorphism of [2,5-bis(2-pyridyl)pyrazine]ferrocenyl(methyl)boron hexafluorophosphate","Acta Crystallographica Section C","2001","57","2","162","164","10.1107/S0108270100017741","","","0.71073","MoKα","","0.128","0.08","","","","0.203","","","","","","1.08","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00","" "2011764","8.011","0.001","16.63","0.001","20.384","0.001","98.55","0.01","99.47","0.01","92.03","0.01","2643.8","0.4","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C26 H23.5 B F6 Fe N4.5 P -","- C26 H23.5 B F6 Fe N4.5 P -","- C104 H94 B4 F24 Fe4 N18 P4 -","4","2","GG1027","Ding, Li; Wagner, Matthias; Bolte, Michael","Pseudopolymorphism of [2,5-bis(2-pyridyl)pyrazine]ferrocenyl(methyl)boron hexafluorophosphate","Acta Crystallographica Section C","2001","57","2","162","164","10.1107/S0108270100017741","","","0.71073","MoKα","","0.153","0.076","","","","0.138","","","","","","1.08","","","","has coordinates,has disorder,has Fobs","176435","2020-10-21","18:00:00","" "2011765","29.207","0.002","6.586","0.0004","7.4782","0.0004","90","","90","","90","","1438.49","0.15","150","1","150","1","","","","","","","","4","P n m a","-P 2ac 2n","62","","4-(1-Adamantylamino)-2-amino-6-methoxy-5-nitrosopyrimidine","","- C15 H21 N5 O2 -","- C15 H21 N5 O2 -","- C60 H84 N20 O8 -","4","0.5","GG1029","Low, John Nicolson; Marchal, Antonio; Nogueras, Manuel; Melguizo, Manuel; Sánchez, Adolfo","4-(1-Adamantylamino)-2-amino-6-methoxy-5-nitrosopyrimidine","Acta Crystallographica Section C","2001","57","2","178","179","10.1107/S0108270100015754","","","0.71073","MoKα","","0.146","0.06","","","","0.181","","","","","","0.91","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00","" "2011766","10.16","0.0005","18.4257","0.001","22.643","0.0013","90","","109.808","0.005","90","","3988.1","0.4","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","cis-Bis[N^1^,N^2^-bis(trimethylsilyl)benzamidinato-κ^2^N^1^N^2^]-chloro- (4-tolylimido-κN)-vanadium(V)","","- C33 H53 Cl N5 Si4 V -","- C33 H53 Cl N5 Si4 V -","- C132 H212 Cl4 N20 Si16 V4 -","4","1","GG1031","Ellis, Dianne D.; Spek, Anthony L.","cis-Bis[N^1^,N^2^-bis(trimethylsilyl)benzamidinato-κ^2^N^1^,N^2^]chloro(4-tolylimido-κN)vanadium(V)","Acta Crystallographica Section C","2001","57","2","147","148","10.1107/S010827010001564X","","","0.71073","MoKα","","0.102","0.052","","","","0.108","","","","","","0.99","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00","" "2011767","5.7537","0.0004","5.7537","0.0004","48.108","0.004","90","","90","","120","","1379.25","0.18","293","2","293","2","","","","","","","","6","R -3 c :H","-R 3 2""c","167","","","","- Al Br0.478 Ca2 Cl0.522 H10 O8 -","- Al Br0.478 Ca2 Cl0.522 H10.0002 O8 -","- Al6 Br2.868 Ca12 Cl3.132 H60.0012 O48 -","6","0.166667","IZ1005","Rapin, Jean-Philippe; François, Michel","The double-layered hydroxide 3CaO·Al~2~O~3~·0.5CaBr~2~·0.5CaCl~2~·10H~2~O","Acta Crystallographica Section C","2001","57","2","137","138","10.1107/S0108270100014025","","","0.71073","MoKα","","0.0585","0.0381","","","","0.0901","","","","","","1.05","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00","" "2011768","6.6296","0.0001","16.3605","0.0002","14.6386","0.0002","90","","99.938","0.001","90","","1563.93","0.04","293","2","293","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","Trans-bis(aminopyridine)-bis(O,O'-diisopropyl dithiophosphato-S,S')nickel(II)","","- C22 H40 N4 Ni O4 P2 S4 -","- C22 H40 N4 Ni O4 P2 S4 -","- C44 H80 N8 Ni2 O8 P4 S8 -","2","0.5","LN1110","Hao, Qingli; Jian, Fangfang; Wang, Xin; Razak, Ibrahim Abdul; Shanmuga Sundara Raj, S.; Fun, Hoong-Kun","trans-Bis(2-aminopyridine-N)bis(O,O'-diisopropyl dithiophosphato-S,S')nickel(II)","Acta Crystallographica Section C","2001","57","2","160","161","10.1107/S0108270100016073","","","0.71073","MoKα","","0.041","0.035","","","","0.087","","","","","","0.97","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00","" "2011769","12.346","0.002","5.567","0.001","22.578","0.006","90","","95.2","0.01","90","","1545.4","0.6","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","N,N'-(1,2-phenylene)bis(pyridine-2-carboxamide)","","- C18 H14 N4 O2 -","- C18 H14 N4 O2 -","- C72 H56 N16 O8 -","4","1","NA1486","Lin, Jun; Zhang, Jun-Yong; Xu, Yan; Ke, Xiao-Kang; Guo, Zijian","N,N'-(1,2-phenylene)bis(pyridine-2-carboxamide) and N,N'-(1,2-cyclohexanediyl)bis(pyridine-2-carboxamide) toluene hemisolvate","Acta Crystallographica Section C","2001","57","2","192","194","10.1107/S0108270100016395","","","0.71073","MoKα","","0.104","0.053","","","","0.139","","","","","","1.031","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00","" "2011770","9.899","0.002","10.492","0.002","10.795","0.002","88.52","0.03","64.39","0.03","89.7","0.03","1010.7","0.4","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","N,N'-(1,2-cyclohexanediyl)bis(pyridine-2-carboxamide)","","- C21.5 H24 N4 O2 -","- C21.5 H20 N4 O2 -","- C43 H40 N8 O4 -","2","1","NA1486","Lin, Jun; Zhang, Jun-Yong; Xu, Yan; Ke, Xiao-Kang; Guo, Zijian","N,N'-(1,2-phenylene)bis(pyridine-2-carboxamide) and N,N'-(1,2-cyclohexanediyl)bis(pyridine-2-carboxamide) toluene hemisolvate","Acta Crystallographica Section C","2001","57","2","192","194","10.1107/S0108270100016395","","","0.71073","MoKα","","0.072","0.049","","","","0.173","","","","","","1.062","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00","" "2011771","8.447","0.0006","12.91","0.0012","12.985","0.0013","90","","105.27","0.006","90","","1366","0.2","123","2","123","2","","","","","","","","5","P 1 21 1","P 2yb","4","Dichloro[N,N,N',N'-tetrakis(2-pyridylmethyl)benzene-1,4-diamine]iron(II)","Dichloro[N,N,N',N'-tetrakis(2-pyridylmethyl)benzene-1,4-diamine]iron(II)","","- C30 H28 Cl2 Fe N6 -","- C30 H28 Cl2 Fe N6 -","- C60 H56 Cl4 Fe2 N12 -","2","1","NA1490","Batten, Stuart R.; McKenzie, Christine J.; Preuss Nielsen, Lars","Dichloro[N,N,N',N'-tetrakis(2-pyridylmethyl)benzene-1,4-diamine]iron(II)","Acta Crystallographica Section C","2001","57","2","156","157","10.1107/S010827010001684X","","","0.71073","MoKα","","0.1323","0.0796","","","","0.1558","","","","","","1.061","","","","has coordinates","176760","2020-10-21","18:00:00","" "2011772","17.4297","0.0008","17.4297","0.0008","4.1754","0.0003","90","","90","","90","","1268.46","0.12","293","2","293","2","","","","","","","","6","I -4","I -4","82","","Tetrathioureamercury(II) tetrathiocyanatomanganate(II)","","- C8 H16 Hg Mn N12 S8 -","- C8 H16 Hg Mn N12 S8 -","- C16 H32 Hg2 Mn2 N24 S16 -","2","0.25","SK1404","Yu, Wen Tao; Wang, Xin Qiang; Xu, Dong; Lu, Meng Kai; Yuan, Duo Rong","Tetrathioureamercury(II) tetrathiocyanatomanganate(II)","Acta Crystallographica Section C","2001","57","2","145","146","10.1107/S0108270100015651","","","0.71073","MoKα","","0.035","0.033","","","","0.08","","","","","","1.051","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00","" "2011773","4.5541","0.0002","16.314","0.0008","17.5245","0.0009","90","","96.234","0.002","90","","1294.29","0.11","293","2","293","2","","","","","","","","4","C 1 c 1","C -2yc","9","","4-[1H-Benzimidazolium]-Benzene Carbonic Acid dihydrate solvate","","- C14 H14 N2 O4 -","- C14 H14 N2 O4 -","- C56 H56 N8 O16 -","4","1","SK1423","Jian, Fangfang; Bei, Fengli; Yang, Xujie; Lu, Lude; Wang, Xin; Abdul Razak, Ibrahim; Shanmuga Sundara Raj, S.; Fun, Hoong-Kun","4-(1H-Benzimidazol-3-ium-2-yl)benzoate dihydrate","Acta Crystallographica Section C","2001","57","2","176","177","10.1107/S0108270100015675","","","0.71073","MoKα","","0.06","0.045","","","","0.111","","","","","","0.97","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00","" "2011774","7.3772","0.0014","20.063","0.003","10.4576","0.0012","90","","90.513","0.012","90","","1547.8","0.4","143","2","143","2","","","","","","","","4","P 1 21 1","P 2yb","4","","dimethyl (1R,8R)-1,11,11-trimethyl-2,3-diazatricyclo[6.2.1.0^2,6^]undecan-3,5- dien-4,5-dicarboxylate","","- C16 H22 N2 O4 -","- C16 H22 N2 O4 -","- C64 H88 N8 O16 -","4","2","SK1429","Bats, Jan W.; Grundl, Marc A.; Hashmi, A. Stephen K.","Dimethyl (1R,8R)-1,11,11-trimethyl-2,3-diazatricyclo[6.2.1.0^2,6^]undeca-3,5-diene-4,5-dicarboxylate, a chiral molecule with an approximate centrosymmetric crystal structure","Acta Crystallographica Section C","2001","57","2","208","210","10.1107/S0108270100017960","","","0.71073","MoKα","","0.0393","0.0359","","","","0.0959","","","","","","1.079","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00","" "2011775","7.8329","0.0015","7.99","0.002","12.369","0.003","79.766","0.017","81.257","0.019","69.646","0.008","710.8","0.3","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","4-Methyl-2-nitroaniline","","- C7 H8 N2 O2 -","- C7 H8 N2 O2 -","- C28 H32 N8 O8 -","4","2","SK1437","Cannon, Debbie; Glidewell, Christopher; Low, John N.; Quesada, Antonio; Wardell, James L.","Hydrogen bonding in C-methylated nitroanilines: three triclinic examples with Z' = 2 or 4","Acta Crystallographica Section C","2001","57","2","216","221","10.1107/S0108270100017984","","","0.71073","MoKα","","0.244","0.071","","","","0.174","","","","","","0.833","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00","" "2011776","7.1422","0.0014","7.4564","0.0015","17.044","0.003","81.43","0.03","89.27","0.03","61.84","0.03","789.6","0.4","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","4,5-Dimethyl-2-nitroaniline","","- C8 H10 N2 O2 -","- C8 H10 N2 O2 -","- C32 H40 N8 O8 -","4","2","SK1437","Cannon, Debbie; Glidewell, Christopher; Low, John N.; Quesada, Antonio; Wardell, James L.","Hydrogen bonding in C-methylated nitroanilines: three triclinic examples with Z' = 2 or 4","Acta Crystallographica Section C","2001","57","2","216","221","10.1107/S0108270100017984","","","0.71073","MoKα","","0.115","0.057","","","","0.159","","","","","","0.958","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00","" "2011777","7.3814","0.0002","8.2085","0.0003","23.5355","0.0009","87.931","0.0013","89.888","0.0012","88.371","0.002","1424.51","0.08","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","4-Methyl-3-nitroaniline","","- C7 H8 N2 O2 -","- C7 H8 N2 O2 -","- C56 H64 N16 O16 -","8","4","SK1437","Cannon, Debbie; Glidewell, Christopher; Low, John N.; Quesada, Antonio; Wardell, James L.","Hydrogen bonding in C-methylated nitroanilines: three triclinic examples with Z' = 2 or 4","Acta Crystallographica Section C","2001","57","2","216","221","10.1107/S0108270100017984","","","0.71073","MoKα","","0.14","0.063","","","","0.191","","","","","","0.969","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00","" "2011778","11.7729","0.0007","5.5841","0.0004","24.549","0.003","90","","97.52","0.007","90","","1600","0.2","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","betaine-betainium hydrogen oxalate","N,N,N-trimethylglycine-N,N,N-trimethylglycinium-hydrogenoxalate","","- C12 H24 N2 O8 -","- C12 H24 N2 O8 -","- C48 H96 N8 O32 -","4","1","SK1441","Rodrigues, V. H.; Paixão, J. A.; Costa, M.M.R.R.; Matos Beja, A.","Betaine betainium hydrogen oxalate","Acta Crystallographica Section C","2001","57","2","213","215","10.1107/S0108270100019193","","","0.71073","MoKα","","0.1157","0.0435","","","","0.1368","","","","","","1.003","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00","" "2011779","5.0038","0.0015","6.442","0.002","8.3179","0.0011","78.6","0.02","80.62","0.02","79.8","0.02","256.39","0.12","293","2","293","2","","","","","","","","4","P 1","P 1","1","sarcosinium tartrate","sarcosinium tartrate","","- C7 H13 N O8 -","- C7 H13 N O8 -","- C7 H13 N O8 -","1","1","VJ1116","Krishnakumar, R. V.; Subha Nandhini, M.; Natarajan, S.","Sarcosinium tartrate","Acta Crystallographica Section C","2001","57","2","165","166","10.1107/S0108270100012440","","","0.71073","Mokα","","0.025","0.025","","","","0.066","","","","","","1.089","","","","has coordinates","201957","2020-10-21","18:00:00","" "2011780","16.996","0.002","8.1356","0.0011","20.66","0.003","90","","90","","90","","2856.7","0.7","298","2","","","","","","","","","","3","P n a 21","P 2c -2n","33","","6,7-dicyano-2,3-di(2-pyridyl) pyrazine","","- C16 H8 N6 -","- C16 H8 N6 -","- C128 H64 N48 -","8","2","VJ1118","Du, Miao; Bu, Xian-He; Liu, He; Leng, Xue-Bing","5,6-Bis(2-pyridyl)-2,3-pyrazinedicarbonitrile","Acta Crystallographica Section C","2001","57","2","201","202","10.1107/S0108270100017625","","","0.71073","MoKα","","","0.0367","","","","0.1013","","","","","","0.983","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00","" "2011781","7.6207","0.0004","9.5869","0.0005","10.6829","0.0005","71.115","0.003","84.066","0.003","67.921","0.002","684.16","0.06","293","2","293","2","","","","","","","","5","P -1","-P 1","2","acridine-trichlorogold(III)","(acridine-N)trichlorogold(III)","","- C13 H9 Au Cl3 N -","- C13 H9 Au Cl3 N -","- C26 H18 Au2 Cl6 N2 -","2","1","AV1055","Sloufova, Ivana; Slouf, Miroslav","(Acridine-N)trichlorogold(III)","Acta Crystallographica Section C","2001","57","3","248","249","10.1107/S0108270100018151","","","0.71073","MoKα","","0.028","0.025","","","","0.059","","","","","","1.094","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00","" "2011782","10.2144","0.0007","18.018","0.001","13.1304","0.0009","90","","90.177","0.001","90","","2416.5","0.3","120","","120","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C39 H86 N O5 P Sn3 -","- C39 H86 N O5 P Sn3 -","- C78 H172 N2 O10 P2 Sn6 -","2","1","AV1061","Khoo, Lian Ee; Hazell, Alan","Polymeric [μ~3~-(N-phosphonomethyl)glycinato]tris(tri-n-butyltin)","Acta Crystallographica Section C","2001","57","3","254","256","10.1107/S0108270100018898","","","0.71073","MoKα","","","0.029","","","","0.071","","","","","","1.122","","","","has coordinates","176432","2020-10-21","18:00:00","" "2011783","8.141","0.002","13.7976","0.0016","21.852","0.002","90","","90","","90","","2454.6","0.7","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C26 H26 Br2 O5 -","- C26 H26 Br2 O5 -","- C104 H104 Br8 O20 -","4","1","BJ1007","Sim, Wonbo; Lee, Jai Young; Kim, Jong Seung; Kim, Jin-Gyu; Suh, Il-Hwan","6,7-Bis(bromomethyl)-2,11,18,21,24-pentaoxatetracyclo[23.4.0.0^4,9^.0^12,17^]nonacosa-1(25),4(9),5,7,12(17),13,15,26,28-nonaene","Acta Crystallographica Section C","2001","57","3","293","294","10.1107/S0108270100018473","","","0.71073","MoKα","","0.1832","0.0641","","","","0.1232","","","","","","1.011","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00","" "2011784","10.4971","0.0001","15.5281","0.0002","16.393","0.0002","90","","101.51","0.01","90","","2618.32","0.11","223","2","223","2","","","","","","","","6","C 1 c 1","C -2yc","9","","[Ethylene-1,2-bis(diphenylphosphine)-P,P']dinitratoplatinum(II)","","- C26 H24 N2 O6 P2 Pt -","- C26 H24 N2 O6 P2 Pt -","- C104 H96 N8 O24 P8 Pt4 -","4","1","BK1556","Arendse, Malcolm J.; Anderson, Gordon K.; Rath, Nigam P.","[Ethylene-1,2-bis(diphenylphosphine)-P,P']dinitratoplatinum(II) and cis-bis[(diphenylphosphinomethyl)diphenylphosphine oxide-O,P]platinum(II) dinitrate dihydrate","Acta Crystallographica Section C","2001","57","3","237","239","10.1107/S0108270100017273","","","0.71073","MoKα","","0.058","0.039","","","","0.069","","","","","","1.03","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00","" "2011785","12.9843","0.0002","16.3998","0.0002","22.6979","0.0003","90","","92.81","0.01","90","","4827.48","0.12","213","2","213","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","cis-[Bis(diphenylphosphinomethyl)diphenylphosphine oxide-O,P]platinum(II) dinitrate dihydrate","","- C50 H48 N2 O10 P4 Pt -","- C50 H48 N2 O10 P4 Pt -","- C200 H192 N8 O40 P16 Pt4 -","4","1","BK1556","Arendse, Malcolm J.; Anderson, Gordon K.; Rath, Nigam P.","[Ethylene-1,2-bis(diphenylphosphine)-P,P']dinitratoplatinum(II) and cis-bis[(diphenylphosphinomethyl)diphenylphosphine oxide-O,P]platinum(II) dinitrate dihydrate","Acta Crystallographica Section C","2001","57","3","237","239","10.1107/S0108270100017273","","","0.71073","MoKα","","0.049","0.031","","","","0.069","","","","","","1.09","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00","" "2011786","9.2351","0.0007","11.607","0.001","13.807","0.001","77.891","0.001","81.46","0.01","69.14","0.01","1347.8","0.2","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","bis(tetraphenylphosphonium) dioxobis(pyridine-2,6-dicarbothioate-O,N,O')uranium(VI)","","- C62 H46 N2 O6 P2 S4 U -","- C62 H46 N2 O6 P2 S4 U -","- C62 H46 N2 O6 P2 S4 U -","1","0.5","BK1565","Neu, Mary P.; Johnson, Mitchell T.; Matonic, John H.; Scott, Brian L.","Actinide interactions with microbial chelators: the dioxobis[pyridine-2,6-bis(monothiocarboxylato)]uranium(VI) ion","Acta Crystallographica Section C","2001","57","3","240","242","10.1107/S0108270100017285","","","0.71073","MoKα","","0.032","0.03","","","","0.073","","","","","","1.04","","","","has coordinates","176760","2020-10-21","18:00:00","" "2011787","11.7469","0.0001","18.2581","0.0002","14.5558","0.0001","90","","101.352","0.001","90","","3060.8","0.05","150","2","150","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C19 H48 B9 Br Mn N O3 -","- C19 H44.29 B9 Br Mn N O3 -","- C76 H177.16 B36 Br4 Mn4 N4 O12 -","4","1","BK1569","Kennedy, Alan R.; Morris, John H.","A nido-6-manganadecaborane salt","Acta Crystallographica Section C","2001","57","3","269","270","10.1107/S0108270100019843","","","0.71073","MoKα","","0.0742","0.0488","","","","0.1431","","","","","","1.03","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00","" "2011788","11.0346","0.0005","8.8957","0.0004","11.4161","0.0005","90","","103.946","0.001","90","","1087.58","0.08","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","trans-bis(ethanolamine)bis(saccharinato)copper(II)","","- C18 H22 Cu N4 O8 S2 -","- C18 H22 Cu N4 O8 S2 -","- C36 H44 Cu2 N8 O16 S4 -","2","0.5","BM1435","Yilmaz, Veysel T.; Andac, Omer; Topcu, Yildiray; Harrison, William T. A.","trans-Bis(ethanolamine-N,O)bis(saccharinato-N)copper(II)","Acta Crystallographica Section C","2001","57","3","271","272","10.1107/S0108270100019867","","","0.71073","MoKα","","0.043","0.033","","","","0.099","","","","","","1.04","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00","" "2011789","7.4692","0.0005","8.7343","0.0007","8.909","0.0007","68.104","0.004","77.038","0.004","67.31","0.004","495.34","0.07","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","3-Methyl-4-(dibromomethyl)methoxybenzene","","- C9 H10 Br2 O -","- C9 H10 Br2 O -","- C18 H20 Br4 O2 -","2","1","BM1445","Liu, Xiaoming; Kilner, Colin A.; Thornton-Pett, Mark; Halcrow, Malcolm A.","1-(Dibromomethyl)-4-methoxy-2-methylbenzene","Acta Crystallographica Section C","2001","57","3","317","318","10.1107/S0108270100019375","","","0.71073","MoKα","","0.0676","0.0452","","","","0.109","","","","","","1.013","","","","has coordinates","201957","2020-10-21","18:00:00","" "2011790","26.12","0.005","18.473","0.004","10.379","0.003","90","","90","","90","","5008","2","293","2","293","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","C.I. Solvent Yellow 4","4-(phenyldiazenyl)naphthalen-1-amine","","- C16 H13 N3 -","- C16 H13 N3 -","- C256 H208 N48 -","16","2","BR1305","Yatsenko, A. V.; Chernyshev, V. V.; Paseshnichenko, K. A.; Schenk, H.","4-(Phenyldiazenyl)naphthalen-1-amine and its hydrochloride","Acta Crystallographica Section C","2001","57","3","295","297","10.1107/S0108270100018692","","","0.71073","MoKα","","0.105","0.053","","","","0.118","","","","","","1.282","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00","" "2011791","7.426","0.003","13.305","0.004","14.027","0.004","90","","95.32","0.02","90","","1379.9","0.8","295","2","295","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","[4-(phenyldiazenyl)naphthalen-1-yl]ammonium chloride","","- C16 H14 Cl N3 -","- C16 H14 Cl N3 -","- C64 H56 Cl4 N12 -","4","1","BR1305","Yatsenko, A. V.; Chernyshev, V. V.; Paseshnichenko, K. A.; Schenk, H.","4-(Phenyldiazenyl)naphthalen-1-amine and its hydrochloride","Acta Crystallographica Section C","2001","57","3","295","297","10.1107/S0108270100018692","","","1.5418","CuKα","","","","","","","","","","1.6","","","","","","","has coordinates","201957","2020-10-21","18:00:00","" "2011792","23.534","0.0005","23.534","0.0005","23.534","0.0005","90","","90","","90","","13034.3","0.5","293","1","293","1","","","","","","","","3","P a -3","-P 2ac 2ab 3","205","","","","- O7 P2 Ti -","- O7 P2 Ti -","- O756 P216 Ti108 -","108","4.5","BR1307","Norberg, Stefan T.; Svennson, Göran; Albertsson, Jörgen","A TiP~2~O~7~ superstructure","Acta Crystallographica Section C","2001","57","3","225","227","10.1107/S0108270100018709","","","0.8522","synchrotronx-rayverticalwiggler","","0.048","0.046","","0.059","","0.059","","","2.779","","","2.872","","","","has coordinates","176435","2020-10-21","18:00:00","" "2011793","5.164","0.0006","5.4013","0.0007","9.2982","0.0011","90","","96.596","0.002","90","","257.63","0.05","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","Lithium tin hydroxide","Dilithium tin(VI) hexahydroxide","","- H6 Li2 O6 Sn -","- H6 Li2 O6 Sn -","- H12 Li4 O12 Sn2 -","2","0.5","BR1309","Yang, Shoufeng; Zavalij, Peter Y.; Whittingham, M. Stanley","Li~2~Sn(OH)~6~","Acta Crystallographica Section C","2001","57","3","228","229","10.1107/S0108270100018710","","","0.71073","MoKα","","0.019","0.017","","","","0.041","","","","","","1.058","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00","" "2011794","6.337","0.001","8.028","0.001","12.169","0.002","80.53","0.01","84.12","0.01","85.4","0.01","606.16","0.16","183","","","","","","","","","","","4","P -1","-P 1","2","","","","- C10 H23 N O4 -","- C10 H23 N O4 -","- C20 H46 N2 O8 -","2","1","DE1162","Wiebcke, Michael; Felsche, Jürgen","Benzyltrimethylammonium hydroxide trihydrate containing hydroxide‒water layers","Acta Crystallographica Section C","2001","57","3","306","308","10.1107/S0108270100019363","","","0.71073","MoKα","","","0.0553","","","","0.1613","","","","","","1.013","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00","" "2011795","7.334","0.004","10.791","0.006","11.543","0.007","69.7","0.02","75.01","0.02","86.653","0.015","827.1","0.8","156","","156","2","","","","","","","","4","P -1","-P 1","2","","3,3'-(1,2-Ethynediyl)bis-2(1H)-pyridinone (I) and 6,6'-(1,2-Ethynediyl)bis-2(1H)-pyridinone","","- C12.66667 H10.66667 N2 O2.66667 -","- C12.6667 H10.6667 N2 O2.66667 -","- C38 H32 N6 O8 -","3","1.5","FR1297","Maverick, Emily F.; Wash, Paul L.; Lightner, David A.","A hydrogen-bonded `trimer' of two symmetric dipyridones","Acta Crystallographica Section C","2001","57","3","284","285","10.1107/S0108270100015523","","","0.7107","MoKα","","0.134","0.051","","","","0.176","","","","","","1.079","","","","has coordinates","219800","2020-10-21","18:00:00","" "2011796","14.178","0.003","6.3433","0.0006","19.227","0.003","90","","101.538","0.015","90","","1694.2","0.5","295","","","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C17 H12 S5 -","- C17 H12 S5 -","- C68 H48 S20 -","4","1","FR1309","Kaynak, F. Betül; Özbey, Süheyla; Öztürk, Turan; Ertaş, Erdal","5-Benzyl-5-phenyl[1,3]dithiolo[4,5-d][1,3]dithiole-2-thione","Acta Crystallographica Section C","2001","57","3","319","320","10.1107/S0108270100019764","","","1.5418","CuKα","","","0.047","","","","0.054","","","","","","0.95","","","","has coordinates","176435","2020-10-21","18:00:00","" "2011797","6.2645","0.0007","5.444","0.0012","26.17","0.003","90","","91.339","0.011","90","","892.3","0.2","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","(±)-1-tetralone-3-carboxylic acid","(±)-4-oxo-1,2,3,4-tetrahydronaphthalene-2-carboxylic acid","","- C11 H10 O3 -","- C11 H10 O3 -","- C44 H40 O12 -","4","1","FR1312","Barcon, Alan; Brunskill, Andrew P. J.; Lalancette, Roger A.; Thompson, Hugh W.; Miller, Allan J.","(±)-1-Tetralone-3-carboxylic acid and (±)-1-tetralone-2-acetic acid: hydrogen bonding in two γ-keto acids","Acta Crystallographica Section C","2001","57","3","325","328","10.1107/S0108270100020783","","","0.71073","MoKα","","0.076","0.045","","","","0.106","","","","","","1.06","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00","" "2011798","8.0008","0.001","10.579","0.002","12.6789","0.0013","90","","105.616","0.008","90","","1033.5","0.3","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","(±)-1-tetralone-2-acetic acid","(±)-1-oxo-1,2,3,4-tetrahydronaphthalene-2-acetic acid","","- C12 H12 O3 -","- C12 H12 O3 -","- C48 H48 O12 -","4","1","FR1312","Barcon, Alan; Brunskill, Andrew P. J.; Lalancette, Roger A.; Thompson, Hugh W.; Miller, Allan J.","(±)-1-Tetralone-3-carboxylic acid and (±)-1-tetralone-2-acetic acid: hydrogen bonding in two γ-keto acids","Acta Crystallographica Section C","2001","57","3","325","328","10.1107/S0108270100020783","","","0.71073","MoKα","","0.069","0.043","","","","0.109","","","","","","1.04","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00","" "2011799","16.807","0.002","9.3006","0.0016","13.7677","0.001","90","","106.682","0.01","90","","2061.5","0.5","170","2","170","2","","","","","","","","6","C 1 c 1","C -2yc","9","doxylamine tetrachlorocuprate(II)","{2-[1-dimethylammonioethoxy)-1-phenylethyl]pyridinium} tetrachlorocuprate(II)","","- C17 H24 Cl4 Cu N2 O -","- C17 H24 Cl4 Cu N2 O -","- C68 H96 Cl16 Cu4 N8 O4 -","4","1","FR1314","Braitenbach, Kristin; Parvez, Masood","Doxylaminium tetrachlorocuprate(II)","Acta Crystallographica Section C","2001","57","3","262","263","10.1107/S010827010001917X","","","0.71069","MoKα","","0.117","0.044","","","","0.128","","","","","","1.02","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00","" "2011800","10.755","0.0005","13.523","0.0003","26.764","0.001","90","","87.356","0.002","90","","3888.4","0.2","190","","190","","","","","","","","","9","P 1 21/n 1","-P 2yn","14","","(4'-Chloro-2,2':6',2''-terpyridine-N,N',N'')(diethylphopshinothioato-S)platinu m(II) tetraphenylborate","","- C43 H40 B Cl N3 O3 P Pt S -","- C43 H40 B Cl N3 O3 P Pt S -","- C172 H160 B4 Cl4 N12 O12 P4 Pt4 S4 -","4","1","GD1116","Ross, Steven A.; Lowe, Gordon; Watkin, David J.","(4'-Chloro-2,2':6',2''-terpyridine-N,N',N'')(diethylphosphinothioato-S)platinum(II) tetraphenylborate","Acta Crystallographica Section C","2001","57","3","275","276","10.1107/S0108270100020023","","","0.71069","MoKα","","","0.03","","","","0.037","","","","","","1.026","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00","" "2011801","5.886","0.002","8.402","0.003","8.923","0.003","116.8","0.03","104.04","0.03","92.53","0.03","376.1","0.3","293","2","295","2","","","","","","","","4","P -1","-P 1","2","","","","- C8 H8 N2 O2 -","- C8 H8 N2 O2 -","- C16 H16 N4 O4 -","2","1","GD1117","Zaleski, Jacek; Daszkiewicz, Zdzisław; Kyzioł, Janusz B.","1-Nitroindoline","Acta Crystallographica Section C","2001","57","3","304","305","10.1107/S0108270100019144","","","0.71073","MoKα","","0.0487","0.0368","","","","0.1098","","","","","","1.012","","","","has coordinates","201957","2020-10-21","18:00:00","" "2011802","13.0265","0.0007","7.0672","0.0003","6.3376","0.0002","90","","96.432","0.004","90","","579.77","0.04","293","","293","","","","","","","","","3","P 1 21 1","P 2yb","4","","1,6-anhydro-2,3-O-(S)-benzylidene-β-D-mannopyranose","","- C13 H14 O5 -","- C13 H14 O5 -","- C26 H28 O10 -","2","1","GD1120","Foces-Foces, C.","Three 1,6-anhydro-β-D-glycopyranose derivatives","Acta Crystallographica Section C","2001","57","3","298","301","10.1107/S0108270100019065","","","1.54178","CuKα","","0.029","0.029","","0.032","","0.032","","","1.001","","","1.001","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00","" "2011803","11.9752","0.0005","5.7487","0.0002","18.0759","0.0014","90","","100.295","0.006","90","","1224.34","0.12","293","","293","","","","","","","","","3","C 1 2 1","C 2y","5","","1,6-anhydro-4-O-benzyl-β-D-mannopyranose","","- C13 H16 O5 -","- C13 H16 O5 -","- C52 H64 O20 -","4","1","GD1120","Foces-Foces, C.","Three 1,6-anhydro-β-D-glycopyranose derivatives","Acta Crystallographica Section C","2001","57","3","298","301","10.1107/S0108270100019065","","","1.54178","CuKα","","0.032","0.032","","0.04","","0.04","","","1.08","","","1.081","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00","" "2011804","9.0956","0.0003","5.8461","0.0002","11.0603","0.0005","90","","102.871","0.004","90","","573.34","0.04","293","","293","","","","","","","","","3","P 1 21 1","P 2yb","4","","1,6-anhydro-3,4-O-(S)-benzylidene-β-D-galactopyranose","","- C13 H14 O5 -","- C13 H14 O5 -","- C26 H28 O10 -","2","1","GD1120","Foces-Foces, C.","Three 1,6-anhydro-β-D-glycopyranose derivatives","Acta Crystallographica Section C","2001","57","3","298","301","10.1107/S0108270100019065","","","1.54178","CuKα","","0.034","0.034","","0.043","","0.043","","","1.046","","","1.046","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00","" "2011805","20.8676","0.0017","7.0151","0.0007","9.1087","0.0008","90","","92.843","0.005","90","","1331.8","0.2","150","2","150","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","2,5-Dihydroxy-1,4-benzoquinone‒4,4'-bipyridine (1/1)","","- C16 H12 N2 O4 -","- C16 H12 N2 O4 -","- C64 H48 N8 O16 -","4","0.5","GD1125","Cowan, John A.; Howard, J. A. K.; Leech, M. A.","The 1:1 adduct of 2,5-dihydroxy-1,4-benzoquinone with 4,4'-bipyridine","Acta Crystallographica Section C","2001","57","3","302","303","10.1107/S0108270100019077","","","0.71073","MoKα","","0.049","0.041","","","","0.113","","","","","","1.062","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00","" "2011806","21.484","0.003","9.4624","0.0008","7.3293","0.0007","90","","90","","90","","1490","0.3","160","2","160","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","Sodium hydrogenbis(phenoxyacetate)","","- C16 H15 Na O6 -","- C16 H15 Na O6 -","- C64 H60 Na4 O24 -","4","0.5","GD1129","Evans, James; Kapitan, Anoop; Rosair, Georgina; Roberts, Kevin J; White, Graeme","Sodium hydrogen bis(phenoxyacetate)","Acta Crystallographica Section C","2001","57","3","250","251","10.1107/S0108270100018175","","","0.71073","MoKα","","0.058","0.0389","","","","0.1088","","","","","","0.959","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00","" "2011807","11.8073","0.0013","10.0751","0.0012","21.453","0.003","90","","116.024","0.008","90","","2293.3","0.5","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C26 H26 N4 Pd -","- C26 H26 N4 Pd -","- C104 H104 N16 Pd4 -","4","1","GG1030","Ellis, Dianne D.; Spek, Anthony L.","[η^2^-(E)-But-2-enedinitrile](N,N'-diphenyl-1,7,7-trimethylbicyclo[2.2.1]heptane-2,3-diimine-N,N')palladium(0)","Acta Crystallographica Section C","2001","57","3","235","236","10.1107/S0108270100016401","","","0.71073","MoKα","","0.051","0.042","","","","0.086","","","","","","1.04","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00","" "2011808","9.995","0.002","10.462","0.002","10.569","0.002","95.13","0.02","92.48","0.02","105.23","0.02","1059.5","0.4","190","2","190","2","","","","","","","","6","P -1","-P 1","2","","","","- C26 H18 Cu F2 N2 O2 -","- C26 H18 Cu F2 N2 O2 -","- C52 H36 Cu2 F4 N4 O4 -","2","1","GG1032","Burgess, John; Fawcett, John; Palma, Vitor; Gilani, Syeda R.","Fluoro derivatives of bis(salicylideneaminato-N,O)copper(II) and -oxovanadium(IV)","Acta Crystallographica Section C","2001","57","3","277","280","10.1107/S0108270100020059","","","0.71073","MoKα","","0.054","0.04","","","","0.115","","","","","","1.095","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00","" "2011809","10.752","0.001","7.893","0.001","27.391","0.003","90","","90","","90","","2324.6","0.4","150","2","150","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C28 H22 Cu F2 N2 O2 -","- C28 H22 Cu F2 N2 O2 -","- C112 H88 Cu4 F8 N8 O8 -","4","0.5","GG1032","Burgess, John; Fawcett, John; Palma, Vitor; Gilani, Syeda R.","Fluoro derivatives of bis(salicylideneaminato-N,O)copper(II) and -oxovanadium(IV)","Acta Crystallographica Section C","2001","57","3","277","280","10.1107/S0108270100020059","","","0.71073","MoKα","","0.069","0.043","","","","0.121","","","","","","1.013","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00","" "2011810","14.607","0.002","7.423","0.001","27.109","0.002","90","","98.07","0.01","90","","2910.3","0.6","290","2","290","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C30 H16 Cu F12 N2 O2 -","- C30 H16 Cu F12 N2 O2 -","- C120 H64 Cu4 F48 N8 O8 -","4","0.5","GG1032","Burgess, John; Fawcett, John; Palma, Vitor; Gilani, Syeda R.","Fluoro derivatives of bis(salicylideneaminato-N,O)copper(II) and -oxovanadium(IV)","Acta Crystallographica Section C","2001","57","3","277","280","10.1107/S0108270100020059","","","0.71073","MoKα","","0.058","0.039","","","","0.096","","","","","","1.039","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00","" "2011811","14.768","0.001","10.663","0.001","8.32","0.001","90","","95.87","0.01","90","","1303.3","0.2","290","2","290","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C28 H18 Cu F6 N2 O4 -","- C28 H18 Cu F6 N2 O4 -","- C56 H36 Cu2 F12 N4 O8 -","2","0.5","GG1032","Burgess, John; Fawcett, John; Palma, Vitor; Gilani, Syeda R.","Fluoro derivatives of bis(salicylideneaminato-N,O)copper(II) and -oxovanadium(IV)","Acta Crystallographica Section C","2001","57","3","277","280","10.1107/S0108270100020059","","","0.71073","MoKα","","0.078","0.049","","","","0.14","","","","","","1.028","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00","" "2011812","27.392","0.003","10.048","0.002","9.654","0.001","90","","94.84","0.01","90","","2647.6","0.7","190","2","190","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C28 H18 F6 N2 O5 V -","- C28 H18 F6 N2 O5 V -","- C112 H72 F24 N8 O20 V4 -","4","1","GG1032","Burgess, John; Fawcett, John; Palma, Vitor; Gilani, Syeda R.","Fluoro derivatives of bis(salicylideneaminato-N,O)copper(II) and -oxovanadium(IV)","Acta Crystallographica Section C","2001","57","3","277","280","10.1107/S0108270100020059","","","0.71073","MoKα","","0.061","0.042","","","","0.108","","","","","","1.034","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00","" "2011813","8.663","0.002","8.956","0.002","13.293","0.003","73.029","0.003","83.852","0.004","61.662","0.003","867.6","0.3","120","","120","","","","","","","","","5","P -1","-P 1","2","","aqua[bis(salicylidene)ethylenediaminato-O,N,N',O']oxovanadium(V) nitrate","","- C16 H16 N3 O7 V -","- C16 H16 N3 O7 V -","- C32 H32 N6 O14 V2 -","2","1","GG1035","Hazell, Alan; Lund, Puk; Saugbjerg, Annemette","Two polymorphs of aqua[N,N'-ethylenebis(salicylideneaminato-N,O)]oxovanadium(V) nitrate","Acta Crystallographica Section C","2001","57","3","257","259","10.1107/S0108270100019132","","","0.71073","MoKα","","","0.033","","","","0.042","","","","","","1.327","","","","has coordinates","176435","2020-10-21","18:00:00","" "2011814","16.413","0.002","8.1634","0.0008","25.628","0.003","90","","96.619","0.002","90","","3410.9","0.7","120","","120","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","aqua[bis(salicylidene)ethylenediaminato-O,N,N',O']oxovanadium(V) nitrate","","- C16 H16 N3 O7 V -","- C16 H16 N3 O7 V -","- C128 H128 N24 O56 V8 -","8","1","GG1035","Hazell, Alan; Lund, Puk; Saugbjerg, Annemette","Two polymorphs of aqua[N,N'-ethylenebis(salicylideneaminato-N,O)]oxovanadium(V) nitrate","Acta Crystallographica Section C","2001","57","3","257","259","10.1107/S0108270100019132","","","0.71073","MoKα","","","0.05","","","","0.047","","","","","","1.059","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00","" "2011815","14.4773","0.0018","14.4773","0.0018","14.4773","0.0018","90","","90","","90","","3034.3","0.7","180","2","180","2","","","","","","","","4","P a -3","-P 2ac 2ab 3","205","","Tris(tert-butyl)phosphine selenide","","- C12 H27 P Se -","- C12 H27 P Se -","- C96 H216 P8 Se8 -","8","0.333333","JZ1439","Steinberger, Hans-Uwe; Ziemer, Burkhard; Meisel, Manfred","Tris(tert-butyl)phosphine selenide, the missing link in tris(tert-butyl)phosphine chalcogenide structures ^t^Bu~3~P=X (X = O, S, Se, Te)","Acta Crystallographica Section C","2001","57","3","323","324","10.1107/S010827010002000X","","","0.71073","MoKα","","0.023","0.018","","","","0.046","","","","","","1.025","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00","" "2011816","7.3003","0.0004","6.8114","0.0004","15.6135","0.0011","90","","90","","90","","776.39","0.08","293","2","293","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C8 H4 Cu N2 O4 -","- C8 H4 Cu N2 O4 -","- C32 H16 Cu4 N8 O16 -","4","0.5","LN1113","Näther, Christian; Jeß, Inke","Poly[copper(II)-μ-pyrazine-μ~3~-squarato]","Acta Crystallographica Section C","2001","57","3","260","261","10.1107/S0108270100018722","","","0.71073","MoKα","","0.0397","0.0356","","","","0.099","","","","","","1.064","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00","" "2011817","11.794","0.002","20.179","0.004","17.843","0.004","90","","107.78","0.03","90","","4043.6","1.5","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","octakis(4-isopropylpyridine-N)-di-μ~4~-oxo-hexa-μ~3~-oxo-octa-μ~2~-oxo- decaoxooctamolybdenum(V)dimolybdenum(VI)","","- C64 H88 Mo10 N8 O26 -","- C64 H88 Mo10 N8 O26 -","- C128 H176 Mo20 N16 O52 -","2","0.5","NA1493","Modec, Barbara; Brenčič, Jurij V.; Giester, Gerald","A decanuclear oxomolybdenum(V,VI) cluster with 4-isopropylpyridine","Acta Crystallographica Section C","2001","57","3","246","247","10.1107/S0108270100017303","","","0.71073","MoKα","","0.058","0.041","","0.092","0.086","","","","1.069","1.121","1.121","","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00","" "2011818","10.56","0.1","32.98","0.15","11.64","0.08","90","","92.8","0.7","90","","4049","5","298","","298","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","[Bis(tetrahydrofuran-κO)(meso-5,10,15,20-tetraisopropylporphyrinato-κ^4^N) iron(III)] perchlorate","","- C40 H52 Cl Fe N4 O6 -","- C40 H52 Cl Fe N4 O6 -","- C160 H208 Cl4 Fe4 N16 O24 -","4","1","OA1111","Ohgo, Yoshiki; Saitoh, Takashi; Nakamura, Mikio","Bis(tetrahydrofuran-κO)(meso-5,10,15,20-tetraisopropylporphyrinato-κ^4^N)iron(III) perchlorate","Acta Crystallographica Section C","2001","57","3","233","234","10.1107/S0108270100015833","","","0.71069","MoKα","","0.168","0.063","","","","0.215","","","","","","0.911","","","","has coordinates,has disorder","176760","2020-10-21","18:00:00","" "2011819","16.0884","0.0004","23.1083","0.0005","25.8233","0.0006","90","","104.09","0.001","90","","9311.6","0.4","150","1","150","1","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","[{K(18-crown-6-ether)(H~2~O)}~2~{K(18-crown-6-ether)(H~2~O)~2~}] [Rh~2~(O~2~CC~6~H~5~)~4~Fe(CN)~6~]8H~2~O (18-crown-6-ether = 1,4,7,10,13,16-hexaoxacyclooctadecane)","","- C70 H116 Fe K3 N6 O38 Rh2 -","- C70 H116 Fe K3 N6 O38 Rh2 -","- C280 H464 Fe4 K12 N24 O152 Rh8 -","4","1","OA1112","Kim, Youngmee; Kim, Sung-Jin; Nam, Wonwoo","A ferric-cyanide-bridged one-dimensional dirhodium complex with (18-crown-6)potassium cations","Acta Crystallographica Section C","2001","57","3","266","268","10.1107/S0108270100019776","","","0.71073","MoKα","","0.0959","0.0525","","","","0.1157","","","","","","1.022","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00","" "2011820","6.1387","0.0003","6.1387","0.0003","11.4071","0.0009","90","","90","","120","","372.27","0.04","293","","293","2","","","","","","","","3","P 63 c m","P 6c -2","185","","Yttrium manganese oxide","","- Mn O3 Y -","- Mn O3 Y -","- Mn6 O18 Y6 -","6","0.5","SK1421","Aken, Bas B. van; Meetsma, Auke; Palstra, Thomas T.M.","Hexagonal YMnO~3~","Acta Crystallographica Section C","2001","57","3","230","232","10.1107/S0108270100015663","","","0.71073","MoKα","","0.0506","0.0372","","","","0.1065","","","","","","1.117","","","","has coordinates","176760","2020-10-21","18:00:00","" "2011821","6.1277","0.0005","6.1277","0.0005","11.411","0.001","90","","90","","120","","371.06","0.05","180","","180","2","","","","","","","","3","P 63 c m","P 6c -2","185","","Ytrrium Manganese oxide","","- Mn O3 Y -","- Mn O3 Y -","- Mn6 O18 Y6 -","6","0.5","SK1421","Aken, Bas B. van; Meetsma, Auke; Palstra, Thomas T.M.","Hexagonal YMnO~3~","Acta Crystallographica Section C","2001","57","3","230","232","10.1107/S0108270100015663","","","0.71073","MoKα","","0.0484","0.0372","","","","0.1085","","","","","","1.094","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00","" "2011822","8.026","0.002","12.359","0.003","14.056","0.003","90","","96.63","0.02","90","","1384.9","0.6","293","","293","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C29 H29 N O9 -","- C29 H29 N O9 -","- C58 H58 N2 O18 -","2","1","SK1434","Renaudet, Olivier; Dumy, Pascal; Philouze, Christian","Methyl 2,3,6-tri-O-benzoyl-4-deoxy-4-methoxyamino-α-D-glucopyranoside","Acta Crystallographica Section C","2001","57","3","309","310","10.1107/S0108270100019387","","","0.7107","MoKα","","0.068","0.068","","0.04","","0.04","","","1.896","","","1.896","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00","" "2011823","12.1752","0.0002","22.2029","0.0001","19.8479","0.0004","90","","117.168","0.001","90","","4773.42","0.13","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Bis[2,2'-ethylenedioxydibenzaldehyde bis(thiocarbohydrazide)] tripyridine","","- C49 H47 N11 O4 S2 -","- C49 H47 N11 O4 S2 -","- C196 H188 N44 O16 S8 -","4","1","SK1435","Chantrapromma, Suchada; Razak, Ibrahim Abdul; Fun, Hoong-Kun; Karalai, Chatchanok; Zhang, Hao; Xie, Fu-Xin; Tian, Yu-Peng; Ma, Wen; Zhang, Yin-Han; Ni, Shi-Sheng","Bis[2,2'-ethylenedioxydibenzaldehyde bis(thiocarbohydrazide)] tris(pyridine) solvate","Acta Crystallographica Section C","2001","57","3","289","290","10.1107/S0108270100017972","","","0.71073","MoKα","","0.135","0.068","","","","0.166","","","","","","1.051","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00","" "2011824","13.8921","0.0009","15.339","0.0006","14.0209","0.0008","90","","95.666","0.002","90","","2973.1","0.3","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Racemic 5,5,7,12,12,14-hexamethyl-1,4,8,11-tetraazacyclotetradecane‒ 1,3,5-benzenetricarboxylic acid‒methanol‒water (1/1/0.78/1.12)","","- C25.78 H47.36 N4 O7.9 -","- C25.784 H44.8 N4 O7.9 -","- C103.136 H179.2 N16 O31.6 -","4","1","SK1438","Burchell, Colin J.; Ferguson, George; Lough, Alan J.; Glidewell, Christopher","Hydrogen-bonded sheets in the 1:1 salt of tet-b and trimesic acid","Acta Crystallographica Section C","2001","57","3","311","314","10.1107/S0108270100019399","","","0.71073","MoKα","","0.138","0.077","","","","0.212","","","","","","0.986","","","","has coordinates,has disorder,has Fobs","176435","2020-10-21","18:00:00","" "2011825","8.8444","0.0003","9.7581","0.0002","11.922","0.0003","112.009","0.001","94.99","0.001","99.585","0.001","927.98","0.04","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","Bis(dicyclohexylammonium 3-thienylacetate)","","- C36 H58 N2 O4 S2 -","- C36 H58 N2 O4 S2 -","- C36 H58 N2 O4 S2 -","1","0.5","SK1439","Ng, Seik Weng; Chantrapromma, Suchada; Razak, Ibrahim Abdul; Fun, Hoong-Kun","Bis(dicyclohexylammonium 3-thienylacetate)","Acta Crystallographica Section C","2001","57","3","291","292","10.1107/S0108270100019326","","","0.71073","MoKα","","0.0831","0.0602","","","","0.1622","","","","","","0.926","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00","" "2011826","7.764","0.003","7.881","0.0015","13.047","0.0015","79.507","0.006","78.79","0.011","63.308","0.011","695.5","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","Racemic cis-dichlorobis(pentane-2,4-dionato)titanium(IV)","","- C10 H14 Cl2 O4 Ti -","- C10 H14 Cl2 O4 Ti -","- C20 H28 Cl4 O8 Ti2 -","2","1","SK1440","Ferguson, George; Glidewell, Christopher; .","Enantiomeric disorder in racemic cis-dichlorobis(pentane-2,4-dionato)titanium(IV)","Acta Crystallographica Section C","2001","57","3","264","265","10.1107/S0108270100019181","","","0.71073","MoKα","","0.1571","0.0529","","","","0.1709","","","","","","0.942","","","","has coordinates,has disorder","176760","2020-10-21","18:00:00","" "2011827","7.6113","0.0005","11.6304","0.0007","8.2286","0.0005","90","","94.05","0.002","90","","726.6","0.08","150","2","150","2","","","","","","","","4","I 1 a 1","I -2ya","9","","2-Methyl-4-nitroaniline","","- C7 H8 N2 O2 -","- C7 H8 N2 O2 -","- C28 H32 N8 O8 -","4","1","SK1442","Ferguson, George; Glidewell, Christopher; Low, John N.; Skakle, Janet M. S.; Wardell, James L.","Hydrogen bonding in C-methylated nitroanilines: the three-dimensional framework structure of 2-methyl-4-nitroaniline","Acta Crystallographica Section C","2001","57","3","315","316","10.1107/S0108270100019405","","","0.71073","MoKα","","0.056","0.043","","","","0.113","","","","","","0.995","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00","" "2011828","11.224","0.001","13.65","0.001","14.11","0.001","75.27","0.002","73.07","0.002","76.27","0.002","1968.7","0.3","293","","","","","","","","","","","3","P -1","-P 1","2","","","","- C23 H22 N6 -","- C23 H22 N6 -","- C92 H88 N24 -","4","2","SX1110","Moreno-Fuquen, Rodolfo; Abonia, Rodrigo; Valderrama-Naranjo, Jaime; Albornoz, Andrea; Mariezcurrena, Raul","5,12-Dimethyl-3,10-diphenyl-1,3,4,8,10,11-hexaazatetracyclo[6.6.1.0^2,6^.0^9,13^]pentadeca-2(6),4,9(13),11-tetraene, a new Tröger's base analogue","Acta Crystallographica Section C","2001","57","3","281","283","10.1107/S0108270100012531","","","0.71069","MoKα","","0.098","0.043","","","","0.141","","","","","","1.016","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00","" "2011829","9.9411","0.0016","18.0364","0.0014","7.3758","0.0018","90","","90","","90","","1322.5","0.4","273","2","273","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","maílione","","","- C14 H19 Br O2 -","- C14 H19 Br O2 -","- C56 H76 Br4 O8 -","4","1","SX1116","Suescun, Leopoldo; Mombrú, Alvaro W.; Mariezcurrena, Raúl A.; Davyt, Danilo; Fernández, Rafael; Manta, Eduardo","Two natural products from the algae Laurencia scoparia","Acta Crystallographica Section C","2001","57","3","286","288","10.1107/S0108270100017935","","","0.71069","MoKα","","0.115","0.044","","","","0.128","","","","","","0.936","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00","" "2011830","11.872","0.005","11.897","0.004","21.575","0.004","90","","90","","90","","3047.3","1.7","273","2","273","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","isorigidol","","","- C15 H23 Br O2 -","- C15 H23 Br O2 -","- C120 H184 Br8 O16 -","8","2","SX1116","Suescun, Leopoldo; Mombrú, Alvaro W.; Mariezcurrena, Raúl A.; Davyt, Danilo; Fernández, Rafael; Manta, Eduardo","Two natural products from the algae Laurencia scoparia","Acta Crystallographica Section C","2001","57","3","286","288","10.1107/S0108270100017935","","","0.71069","MoKα","","0.117","0.034","","","","0.094","","","","","","0.941","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00","" "2011831","10.4243","0.0014","20.3334","0.0018","8.3832","0.0011","90","","85.639","0.013","90","","1771.8","0.4","295","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C38 H38 N4 O8 Zn3 -","- C38 H38 N4 O8 Zn3 -","- C76 H76 N8 O16 Zn6 -","2","0.5","TA1298","Ülkü, Dinçer; Tatar, Leyla; Atakol, Orhan; Aksu, Mecit","Bis{(μ-acetato)[μ-bis(salicylidene)-1,3-propanediaminato]zinc(II)}zinc(II)","Acta Crystallographica Section C","2001","57","3","273","274","10.1107/S0108270100019983","","","0.71073","MoKα","","","0.045","","","","0.056","","","","","","1.01","","","","has coordinates","176760","2020-10-21","18:00:00","" "2011832","15.529","0.003","14.77","0.003","10.477","0.002","90","","92.02","0.03","90","","2401.5","0.8","294","2","294","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","μ-hexavanadato(V)-bis[bis(2,2'-bipyridine)nickel(II)]","","- C40 H32 N8 Ni2 O17 V6 -","- C40 H32 N8 Ni2 O17 V6 -","- C80 H64 N16 Ni4 O34 V12 -","2","0.5","TA1302","Lin, Bi-Zhou; Liu, Shi-Xinog","Polymeric bis[bis(2,2'-bipyridine)nickel(II)] hexavanadate(V)","Acta Crystallographica, Section C: Crystal Structure Communications","2001","57","3","243","245","10.1107/S0108270100017339","","","0.71069","MoKα","","0.072","0.043","","0.13","","0.115","","","1.05","","","1.085","","","","has coordinates,has Fobs","209472","2020-10-21","18:00:00","" "2011833","6.6009","0.0011","10.9678","0.0017","20.278","0.005","90","","92.704","0.016","90","","1466.4","0.5","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","[5,10,15,20-Tetrakis(2-thienyl)porphyrinato]zinc(II)","","- C36 H20 N4 S4 Zn -","- C36 H8 N4 S4.002 Zn -","- C72 H16 N8 S8.004 Zn2 -","2","0.5","VJ1107","Purushothaman, Bhavana; Varghese, Babu; Bhyrappa, Puttaiah","[5,10,15,20-Tetrakis(2-thienyl)porphyrinato]zinc(II)","Acta Crystallographica Section C","2001","57","3","252","253","10.1107/S0108270100018552","","","0.71073","MoKα","","0.055","0.04","","","","0.121","","","","","","1.151","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00","" "2011834","11.3887","0.001","22.0576","0.0019","11.7301","0.001","90","","113.33","0.001","90","","2705.8","0.4","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","N-(tolyl-p-sulfonyl)-3-aza-1,5-bis(tolyl-p-sulfonyloxy)pentane","","- C25 H29 N O8 S3 -","- C25 H29 N O8 S3 -","- C100 H116 N4 O32 S12 -","4","1","VJ1127","Yoon, Il; Park, Ki-Min; Lee, Shim Sung","Tritosylate of diethanolamine","Acta Crystallographica Section C","2001","57","3","321","322","10.1107/S0108270100019788","","","0.71073","MoKα","","0.1019","0.0465","","","","0.1358","","","","","","1.003","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00","" "2011835","13.249","0.004","10.086","0.009","16.695","0.005","90","","101.99","0.02","90","","2182","2","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C21 H21 Cl3 N2 Ni O2 -","- C21 H21 Cl3 N2 Ni O2 -","- C84 H84 Cl12 N8 Ni4 O8 -","4","1","AV1056","de Castro, B.; Freire, C.; Duarte, M. Teresa; Minas da Piedade, M.F.; Santos, I.C.","trans-[N,N'-Bis(salicylidene)cyclohexane-1,2-diaminato]nickel(II)‒chloroform (1/1)","Acta Crystallographica Section C","2001","57","4","370","372","10.1107/S0108270100020849","","","0.71069","MoKα","","0.066","0.0501","","","","0.156","","","","","","1.06","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00","" "2011836","7.573","0.001","17.75","0.001","8.277","0.001","90","","93.53","0.01","90","","1110.5","0.2","298","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H11 N O2 -","- C14 H11 N O2 -","- C56 H44 N4 O8 -","4","1","AV1060","Hökelek, Tuncer; Patır, Süleyman; Ergün, Yavuz; Okay, Gürol","4-Methylcarbazole-3-carboxylic acid","Acta Crystallographica Section C","2001","57","4","414","416","10.1107/S0108270100020199","","","1.5418","CuKα","","","0.061","","","","0.071","","","","","","0.87","","","","has coordinates","176435","2020-10-21","18:00:00","" "2011837","13.4239","0.0011","7.2198","0.0005","25.441","0.003","90","","90","","90","","2465.7","0.4","298","2","298","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","3-Phenylfuro[3,2-c]chromen-4-one","","- C17 H10 O3 -","- C17 H10 O3 -","- C136 H80 O24 -","8","1","AV1062","Bruno, Giuseppe; Nicoló, Francesco; Rotondo, Archimede; Foti, Francesco; Risitano, Francesco; Grassi, Giovanni; Bilardo, Cristina","3-Phenyl-4H-furo[3,2-c]chromen-4-one","Acta Crystallographica Section C","2001","57","4","493","494","10.1107/S0108270101001433","","","0.71073","MoKα","","0.111","0.052","","","","0.123","","","","","","0.98","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00","" "2011838","9.3261","0.0003","32.34003","0.00014","7.5005","0.0003","90","","90.595","0.002","90","","2262.08","0.12","290","1","290","1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","n-heptylammonium dihydrogenarsenate","","- C7 H20 As N O4 -","- C7 H20 As N O4 -","- C56 H160 As8 N8 O32 -","8","2","AV1066","Fábry, Jan; Krupková, Radmila; Císařová, Ivana","Ferroelastic n-heptylammonium dihydrogenarsenate","Acta Crystallographica Section C","2001","57","4","403","405","10.1107/S0108270100020850","","","0.71073","MoKα","","0.0916","0.0435","","0.0532","","0.0532","","","1.46","1.92","1.92","1.46","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00","" "2011839","11.1331","0.0005","11.8704","0.0006","18.8044","0.0007","92.239","0.003","101.526","0.003","91.353","0.003","2431.86","0.19","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C88 H108 Cl8 Gd2 N12 O10 U -","- C90 H98 Cl8 Gd2 N10 O10 U -","- C90 H98 Cl8 Gd2 N10 O10 U -","1","0.5","AV1069","Pons y Moll, Olivier; Le Borgne, Thierry; Thuéry, Pierre; Ephritikhine, Michel","An ion pair uniting a gadolinium(III)‒Schiff base complex and uranyl tetrachloride","Acta Crystallographica Section C","2001","57","4","392","393","10.1107/S0108270101001445","","","0.71073","MoKα","","0.055","0.038","","","","0.099","","","","","","1.019","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00","" "2011840","6.2806","0.0016","13.5616","0.0013","9.6165","0.001","90","","107.488","0.011","90","","781.2","0.2","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","tricine","N-[tris(hydroxymethyl)methyl]glycine or N-(2-hydroxy-1,1-bis[hydroxymethyl]ethyl)glycine","","- C6 H13 N O5 -","- C6 H13 N O5 -","- C24 H52 N4 O20 -","4","1","BJ1011","Ramos Silva, M.; Paixão, J. A.; Matos Beja, A.; Alte da Veiga, L.","N-[Tris(hydroxymethyl)methyl]glycine (tricine)","Acta Crystallographica Section C","2001","57","4","421","422","10.1107/S0108270100020266","","","0.71073","MoKα","","0.039","0.03","","","","0.089","","","","","","1.063","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00","" "2011841","7.522","0.002","13.856","0.003","15.544","0.003","90","","94.75","0.03","90","","1614.5","0.6","295","2","295","2","","","","","","","","5","P 1 c 1","P -2yc","7","","Aminoguanidinium(1+)(2+) heksachloroantimonate(III)","","- C2 H15 Cl6 N8 Sb -","- C2 H15 Cl6 N8 Sb -","- C8 H60 Cl24 N32 Sb4 -","4","2","BJ1014","Bujak, Maciej; Osadczuk, Przemysław; Zaleski, Jacek","Aminoguanidinium(2+) aminoguanidinium(1+) hexachloroantimonate(III) at 295 and 92K","Acta Crystallographica Section C","2001","57","4","388","391","10.1107/S0108270101000774","","","0.71073","MoKα","","0.0327","0.0244","","","","0.0645","","","","","","1.097","","","","has coordinates","176760","2020-10-21","18:00:00","" "2011842","7.426","0.002","13.836","0.003","15.403","0.003","90","","95.27","0.03","90","","1575.9","0.6","92","0.5","295","2","","","","","","","","5","P 1 c 1","P -2yc","7","","Aminoguanidinium(1+)(2+) heksachloroantimonate(III)","","- C2 H15 Cl6 N8 Sb -","- C2 H15 Cl6 N8 Sb -","- C8 H60 Cl24 N32 Sb4 -","4","2","BJ1014","Bujak, Maciej; Osadczuk, Przemysław; Zaleski, Jacek","Aminoguanidinium(2+) aminoguanidinium(1+) hexachloroantimonate(III) at 295 and 92K","Acta Crystallographica Section C","2001","57","4","388","391","10.1107/S0108270101000774","","","0.71073","MoKα","","0.0212","0.0192","","","","0.0477","","","","","","1.093","","","","has coordinates","176760","2020-10-21","18:00:00","" "2011843","12.596","0.008","7.157","0.002","16.498","0.003","90","","95.53","0.03","90","","1480.4","1.1","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","2,2'-(2,4,8,10-tetrathiaspiro[5.5]undecane-3,9-diylidene)bis(propanedinitrile)","","- C13 H8 N4 S4 -","- C13 H8 N4 S4 -","- C52 H32 N16 S16 -","4","0.5","BJ1015","Zhou, Zheng-Rong; Xu, Wei; Xia, Yi; Wang, Quan-Rui; Ding, Zong-Biao; Chen, Min-Qin; Hua, Zhong-Yi; Tao, Feng-Gang","3,9-Bis(dicyanomethylene)-2,4,8,10-tetrathiaspiro[5.5]undecane","Acta Crystallographica Section C","2001","57","4","471","472","10.1107/S0108270101000543","","","0.71073","MoKα","","0.103","0.057","","","","0.177","","","","","","1.036","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00","" "2011844","25.4244","0.0005","5.056","0.0001","18.9045","0.0004","90","","126.327","0.001","90","","1957.8","0.07","173","2","173","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","Poly[[{(1,2-η)-benzene}silver(I)]-μ-trifluoromethanesulfonate-O;O';O'':O'']","","- C7 H6 Ag F3 O3 S -","- C7 H6 Ag F3 O3 S -","- C56 H48 Ag8 F24 O24 S8 -","8","1","BJ1018","Wadepohl, Hubert; Pritzkow, Hans","Poly[[[(1,2-η)-benzene]silver(I)]-μ-trifluoromethanesulfonate-O;O';O'':O'']","Acta Crystallographica Section C","2001","57","4","383","384","10.1107/S0108270101000610","","","0.71073","MoKα","","0.025","0.023","","","","0.06","","","","","","1.085","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00","" "2011845","9.8818","0.0017","27.375","0.006","9.811","0.0012","90","","90","","90","","2654","0.8","296","","296","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","9-(1-Acetoxyethylidene)fluorene","","- C17 H14 O2 -","- C17 H14 O2 -","- C136 H112 O16 -","8","1","BJ1021","Robinson, Paul D.; Lutfi, Hisham G.; Hou, Yuqing; Meyers, Cal Y.","9-(1-Acetoxyethylidene)fluorene (`diacetylfluorene'), a by-product from the acetylation of 9-fluorenyllithium","Acta Crystallographica Section C","2001","57","4","428","430","10.1107/S0108270100020539","","","0.71069","MoKα","","0.143","0.041","","","","0.115","","","","","","0.96","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00","" "2011846","9.319","0.0005","7.7083","0.0007","16.816","0.0014","90","","102.422","0.004","90","","1179.68","0.16","120","","120","","","","","","","","","5","P 1 21 1","P 2yb","4","pteropodine","(1'S,3R,4'aS,5'aS,10'aS)-1,2,5',5'a,7',8',10',10'a-octahydro-1'- methyl-2-oxo-spiro[3H-indole-3,6'(4'aH)-[1H]pyrano[3,4- f]indolizine]-4'-carboxylic acid methyl ester, chloroform solvate","","- C22 H25 Cl3 N2 O4 -","- C22 H25 Cl3 N2 O4 -","- C44 H50 Cl6 N4 O8 -","2","1","BJ1025","Muhammad, Ilias; Khan, Ikhlas A.; Fischer, Nikolaus H.; Fronczek, Frank R.","Two stereoisomeric pentacyclic oxindole alkaloids from Uncaria tomentosa: uncarine C and uncarine E","Acta Crystallographica Section C","2001","57","4","480","482","10.1107/S0108270101000932","","","0.71073","MoKα","","0.095","0.059","","","","0.16","","","","","","0.98","","","","has coordinates,has disorder","176760","2020-10-21","18:00:00","" "2011847","10.9943","0.0008","21.062","0.003","12.3039","0.0015","90","","96.86","0.006","90","","2828.7","0.6","120","","120","","","","","","","","","4","P 1 21 1","P 2yb","4","isopteropodine","(1'S,3S,4'aS,5'aS,10'aS)-1,2,5',5'a,7',8', 10',10'a-octahydro -1'-methyl-2-oxo-spiro[3H-indole-3,6'(4'aH)-[1H]pyrano[3,4-f] indolizine]-4'-carboxylic acid methyl ester","","- C21 H24 N2 O4 -","- C21 H24 N2 O4 -","- C126 H144 N12 O24 -","6","3","BJ1025","Muhammad, Ilias; Khan, Ikhlas A.; Fischer, Nikolaus H.; Fronczek, Frank R.","Two stereoisomeric pentacyclic oxindole alkaloids from Uncaria tomentosa: uncarine C and uncarine E","Acta Crystallographica Section C","2001","57","4","480","482","10.1107/S0108270101000932","","","0.71073","MoKα","","0.123","0.052","","","","0.108","","","","","","0.894","","","","has coordinates","201957","2020-10-21","18:00:00","" "2011848","8.22","0.003","9.365","0.003","17.89","0.003","90","","90","","90","","1377.2","0.7","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C12 H14 Br F N2 O3 -","- C12 H14 Br F N2 O3 -","- C48 H56 Br4 F4 N8 O12 -","4","1","BK1579","Belin, Renaud; Tillard, Monique; Maurel, Jean-Louis; Ribet, Jean-Paul","Absolute configuration of (+)-(S)-2-(5-fluoro-2-methoxy-1,4-benzodioxan-2-yl)imidazolinium bromide","Acta Crystallographica Section C","2001","57","4","483","484","10.1107/S0108270101000981","","","0.71069","MoKα","","0.0881","0.0385","","","","0.096","","","","","","0.968","","","","has coordinates","176760","2020-10-21","18:00:00","" "2011849","9.273","0.003","9.333","0.003","10.372","0.004","94.16","0.02","112.17","0.02","93.09","0.02","825.9","0.5","293","2","293","2","","","","","","","","4","P -1","-P 1","2","Boc-Aib-Obzl","tert butyloxycarbonyl-α-aminoisobutyrate","","- C16 H23 N O4 -","- C16 H23 N O4 -","- C32 H46 N2 O8 -","2","1","BK1584","Leduc, Anne-Marie; Mashuta, Mark S.; Spatola, Arno F.","Benzyl tert-butoxycarbonyl-α-aminoisobutyrate","Acta Crystallographica Section C","2001","57","4","487","488","10.1107/S010827010100110X","","","0.71073","MoKα","","0.06","0.0481","","","","0.1159","","","","","","1.011","","","","has coordinates","201957","2020-10-21","18:00:00","" "2011850","7.4252","0.0008","9.4231","0.0007","9.4957","0.0009","64.253","0.002","74.117","0.002","88.504","0.002","572.28","0.09","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H16 Cl4 Cu4 N4 -","- C20 H16 Cl4 Cu4 N4 -","- C20 H16 Cl4 Cu4 N4 -","1","0.5","BM1430","Cui, Yong; Chen, Jiutong; Ren, Jing; Chen, Gang; Yu, Weichao; Qian, Yitai","Bis(2,2-bipyridine-N,N')tetra-μ-chloro-tetracopper(I)","Acta Crystallographica Section C","2001","57","4","349","351","10.1107/S0108270100019855","","","0.71073","MoKα","","0.0711","0.0551","","","","0.1621","","","","","","1.053","","","","has coordinates","176760","2020-10-21","18:00:00","" "2011851","9.764","0.003","11.006","0.002","19.78","0.003","97.56","0.02","102.29","0.02","101.73","0.02","1999.3","0.8","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","3',4'-Di-(p-chlorophenyl)-spiroisoxazoline-[5'.3]-4-chromanone","","- C23 H15 Cl2 N O3 -","- C23 H15 Cl2 N O3 -","- C92 H60 Cl8 N4 O12 -","4","2","BM1437","Abdul Ajees, A.; Parthasarathy, S.; Manikandan, S.; Raghunathan, R.","3',4'-Bis(4-chlorophenyl)spiro[chroman-3,5'(4'H)-isoxazol]-4-one","Acta Crystallographica Section C","2001","57","4","473","475","10.1107/S0108270101000920","","","1.5418","CuKα","","0.1584","0.0479","","","","0.1394","","","","","","1.006","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00","" "2011852","4.869","0.003","7.53","0.005","9.15","0.005","83.037","0.01","88.727","0.015","79.806","0.01","327.7","0.3","200","2","200","2","","","","","","","","4","P -1","-P 1","2","","1,4,8,11-tetraazacyclotetradecane-2,9-dione dihydrate","","- C10 H24 N4 O4 -","- C10 H24 N4 O4 -","- C10 H24 N4 O4 -","1","0.5","BM1440","Hubin, Timothy J.; Tyryshkin, Nickolay; Alcock, Nathaniel W.; Busch, Daryle H.","trans-Dioxocyclam (1,4,8,11-tetraazacyclotetradecane-2,9-dione) dihydrate and its Ni^II^ complex","Acta Crystallographica Section C","2001","57","4","359","362","10.1107/S0108270100020308","","","0.71073","MoKα","","0.066","0.046","","","","0.118","","","","","","0.967","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00","" "2011853","20.861","0.003","7.3385","0.001","9.613","0.0013","90","","112.205","0.002","90","","1362.5","0.3","180","2","180","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","(1,4,8,11-tetraazacyclotetradecane-2,9-dione-κ^4^N)nickel(II) dihydrate","","- C10 H22 N4 Ni O4 -","- C10 H22 N4 Ni O4 -","- C40 H88 N16 Ni4 O16 -","4","0.5","BM1440","Hubin, Timothy J.; Tyryshkin, Nickolay; Alcock, Nathaniel W.; Busch, Daryle H.","trans-Dioxocyclam (1,4,8,11-tetraazacyclotetradecane-2,9-dione) dihydrate and its Ni^II^ complex","Acta Crystallographica Section C","2001","57","4","359","362","10.1107/S0108270100020308","","","0.71073","MoKα","","0.107","0.06","","","","0.153","","","","","","1.04","","","","has coordinates,has Fobs","206183","2020-10-21","18:00:00","" "2011854","9.6413","0.0004","9.6413","0.0004","11.5935","0.0007","90","","90","","120","","933.29","0.08","293","2","293","2","","","","","","","","4","R -3 c :H","-R 3 2""c","167","","Tristrontium cadmium platinum hexaoxide","","- Cd O6 Pt Sr3 -","- Cd O6 Pt Sr3 -","- Cd6 O36 Pt6 Sr18 -","6","0.166667","BR1306","Smith, Mark D.; zur Loye, Hans-Conrad","Sr~3~ZnPtO~6~ and Sr~3~CdPtO~6~","Acta Crystallographica Section C","2001","57","4","337","338","10.1107/S0108270100020060","","","0.71073","MoKα","","0.032","0.03","","","","0.072","","","","","","1.086","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00","" "2011855","9.6267","0.0007","9.6267","0.0007","11.2292","0.0011","90","","90","","120","","901.23","0.13","293","2","293","2","","","","","","","","4","R -3 c :H","-R 3 2""c","167","","Tristrontium zinc platinum hexaoxide","","- O6 Pt Sr3 Zn -","- O6 Pt Sr3 Zn -","- O36 Pt6 Sr18 Zn6 -","6","0.166667","BR1306","Smith, Mark D.; zur Loye, Hans-Conrad","Sr~3~ZnPtO~6~ and Sr~3~CdPtO~6~","Acta Crystallographica Section C","2001","57","4","337","338","10.1107/S0108270100020060","","","0.71073","MoKα","","0.036","0.029","","","","0.059","","","","","","0.981","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00","" "2011856","16.703","0.003","3.634","0.001","20.248","0.003","90","","117.38","0.01","90","","1091.3","0.4","295","2","295","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","4-(2-pyridylazo)-resorcinol","sodium 4-(2-pyridinylazo)-1,3-benzenediolate monohydrate","","- C11 H10 N3 Na O3 -","- C11 H10 N3 Na O3 -","- C44 H40 N12 Na4 O12 -","4","1","BR1310","Yatsenko, A. V.; Paseshnichenko, K. A.; Chernyshev, V. V.; Schenk, H.","Sodium 4-(2-pyridinyldiazenyl)resorcinolate monohydrate and ammonium 2,4-dinitro-1-naphthalenolate from powder diffraction data","Acta Crystallographica Section C","2001","57","4","397","399","10.1107/S0108270101000014","","","1.5418","CuKα","","","","","","","","","","2.14","","","","","","","has coordinates","199684","2020-10-21","18:00:00","" "2011857","3.924","0.001","20.314","0.004","13.336","0.003","90","","94.31","0.01","90","","1060","0.4","295","2","295","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Acid Yellow 24","ammonium 2,4-dinitro-1-naphthalenolate","","- C10 H9 N3 O5 -","- C10 H9 N3 O5 -","- C40 H36 N12 O20 -","4","1","BR1310","Yatsenko, A. V.; Paseshnichenko, K. A.; Chernyshev, V. V.; Schenk, H.","Sodium 4-(2-pyridinyldiazenyl)resorcinolate monohydrate and ammonium 2,4-dinitro-1-naphthalenolate from powder diffraction data","Acta Crystallographica Section C","2001","57","4","397","399","10.1107/S0108270101000014","","","1.5418","CuKα","","","","","","","","","","2.01","","","","","","","has coordinates","176760","2020-10-21","18:00:00","" "2011858","3.878","0.001","3.878","","11.818","0.002","90","","90","","90","","177.73","0.05","297.2","","","","","","","","","","","4","P 4/m m m","-P 4 2","123","","","","- Ba2 Cu3 O6.26 Sm -","- Ba2 Cu3 O6.26 Sm -","- Ba2 Cu3 O6.26 Sm -","1","0.0625","BR1311","Sato, Shoichi; Kino, Yoshihiro; Shibata, Atsushi; Nakamura, Masaru; Krauns, Christian; Shiohara, Yuh","Tetragonal SmBa~2~Cu~3~O~7{-~x} [x~=~0.74(4)]","Acta Crystallographica Section C","2001","57","4","341","343","10.1107/S0108270100020242","","","0.7107","MoKα","","","0.019","","","","0.026","","","","","","1.594","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00","" "2011859","5.733","0.001","11.602","0.002","16.038","0.003","90","","93.16","0.03","90","","1065.1","0.3","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","trans-1-(4-aminophenyl)-2-phenyldiazene 2-oxide","","- C12 H11 N3 O -","- C12 H11 N3 O -","- C48 H44 N12 O4 -","4","1","DA1152","Domański, Andrzej; Ejsmont, Krzysztof; Kyzioł, Janusz B.; Zaleski, Jacek","Two trans-4-aminoazoxybenzenes","Acta Crystallographica Section C","2001","57","4","467","470","10.1107/S0108270101000518","","","0.71073","MoKα","","0.051","0.037","","","","0.101","","","","","","1.033","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00","" "2011860","8.764","0.002","6.103","0.001","10.791","0.002","90","","112.97","0.03","90","","531.4","0.2","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","trans-2-(4-aminophenyl)-1-phenyldiazene 2-oxide","","- C12 H11 N3 O -","- C12 H11 N3 O -","- C24 H22 N6 O2 -","2","1","DA1152","Domański, Andrzej; Ejsmont, Krzysztof; Kyzioł, Janusz B.; Zaleski, Jacek","Two trans-4-aminoazoxybenzenes","Acta Crystallographica Section C","2001","57","4","467","470","10.1107/S0108270101000518","","","0.71073","MoKα","","0.064","0.031","","","","0.096","","","","","","1.044","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00","" "2011861","9.433","0.0012","25.266","0.003","27.258","0.004","90","","90","","90","","6496.5","1.5","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","[Co(tren)(DL-ile)](ClO~4~)~2~","trans-(DL-Isoleucinato-N,O)[tris(2-aminoethyl)amine-κ^4^N]cobalt(III) diperchlorate","","- C12 H30 Cl2 Co N5 O10 -","- C12 H30 Cl2 Co N5 O10 -","- C144 H360 Cl24 Co12 N60 O120 -","12","3","DA1160","Cai, Jiwen; Hu, Xiaopeng; Chen, Cai-Hong; Ji, Liang-Nian","trans-(DL-Isoleucinato-N,O)[tris(2-aminoethyl)amine-κ^4^N]cobalt(III) diperchlorate","Acta Crystallographica Section C","2001","57","4","394","396","10.1107/S0108270101001548","","","0.71073","MoKα","","0.062","0.046","","","","0.125","","","","","","1.003","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00","" "2011862","4.51","0.0004","14.462","0.001","13.231","0.001","90","","98.823","0.007","90","","852.76","0.12","100","","100","","","","","","","","","3","P 1 21 1","P 2yb","4","","4(R),7(R)-di-(hydroxymethyl)-5(R),6(R)-dihydroxy-1,3-dioxepane","","- C7 H14 O6 -","- C7 H14 O6 -","- C28 H56 O24 -","4","2","DA1162","Xiao, Yingxin; Voll, Ronald J.; Billodeaux, Damon R.; Fronczek, Frank R.; Younathan, Ezzat S.","2,5-O-Methylene-D-mannitol: two polymorphs and the NaI complex","Acta Crystallographica Section C","2001","57","4","379","382","10.1107/S0108270101000506","","","0.71073","MoKα","","0.083","0.056","","","","0.151","","","","","","1.1","","","","has coordinates","201957","2020-10-21","18:00:00","" "2011863","7.218","0.003","14.042","0.007","9.16","0.002","90","","110.64","0.02","90","","868.8","0.6","100","","","","","","","","","","","3","P 1 21 1","P 2yb","4","","4(R),7(R)-di-(hydroxymethyl)-5(R),6(R)-dihydroxy-1,3-dioxepane","","- C7 H14 O6 -","- C7 H14 O6 -","- C28 H56 O24 -","4","2","DA1162","Xiao, Yingxin; Voll, Ronald J.; Billodeaux, Damon R.; Fronczek, Frank R.; Younathan, Ezzat S.","2,5-O-Methylene-D-mannitol: two polymorphs and the NaI complex","Acta Crystallographica Section C","2001","57","4","379","382","10.1107/S0108270101000506","","","0.71073","MoKα","","","0.045","","","","0.113","","","","","","1.07","","","","has coordinates","201957","2020-10-21","18:00:00","" "2011864","6.948","0.003","11.4543","0.0006","15.305","0.0007","90","","90","","90","","1218","0.5","297","","","","","","","","","","","5","C 2 2 21","C 2c 2","20","","4(R),7(R)-di-(hydroxymethyl)-5(R),6(R)-dihydroxy-1,3-dioxepane sodium iodide","","- C7 H14 I Na O6 -","- C7 H14 I Na O6 -","- C28 H56 I4 Na4 O24 -","4","0.5","DA1162","Xiao, Yingxin; Voll, Ronald J.; Billodeaux, Damon R.; Fronczek, Frank R.; Younathan, Ezzat S.","2,5-O-Methylene-D-mannitol: two polymorphs and the NaI complex","Acta Crystallographica Section C","2001","57","4","379","382","10.1107/S0108270101000506","","","0.71073","MoKα","","","0.021","","","","0.059","","","","","","1.091","","","","has coordinates","176760","2020-10-21","18:00:00","" "2011865","8.043","0.003","5.459","0.003","15.74","0.004","90","","92.73","0.02","90","","690.3","0.5","292","","292","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H10 Cl2 N4 O4 -","- C12 H10 Cl2 N4 O4 -","- C24 H20 Cl4 N8 O8 -","2","0.5","DE1164","Ishida, Hiroyuki; Kashino, Setsuo","1:2 Complexes of chloranilic acid with pyrazole and imidazole, and the acetonitrile solvate of a 1:1 complex with imidazole","Acta Crystallographica Section C","2001","57","4","476","479","10.1107/S0108270101000944","","","0.71073","MoKα","","0.053","0.05","","0.079","","0.076","","","1.43","","","1.43","","","","has coordinates","176435","2020-10-21","18:00:00","" "2011866","7.547","0.002","8.1565","0.0015","11.75","0.004","90","","101.1","0.03","90","","709.8","0.3","298","","298","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H10 Cl2 N4 O4 -","- C12 H10 Cl2 N4 O4 -","- C24 H20 Cl4 N8 O8 -","2","0.5","DE1164","Ishida, Hiroyuki; Kashino, Setsuo","1:2 Complexes of chloranilic acid with pyrazole and imidazole, and the acetonitrile solvate of a 1:1 complex with imidazole","Acta Crystallographica Section C","2001","57","4","476","479","10.1107/S0108270101000944","","","0.71073","MoKα","","0.058","0.051","","0.079","","0.073","","","1.35","","","1.35","","","","has coordinates","176435","2020-10-21","18:00:00","" "2011867","9.3895","0.0019","9.628","0.002","8.214","0.002","95.86","0.02","99.82","0.02","111.156","0.016","671.5","0.3","297","","297","","","","","","","","","5","P -1","-P 1","2","","","","- C11 H9 Cl2 N3 O4 -","- C11 H9 Cl2 N3 O4 -","- C22 H18 Cl4 N6 O8 -","2","1","DE1164","Ishida, Hiroyuki; Kashino, Setsuo","1:2 Complexes of chloranilic acid with pyrazole and imidazole, and the acetonitrile solvate of a 1:1 complex with imidazole","Acta Crystallographica Section C","2001","57","4","476","479","10.1107/S0108270101000944","","","0.71073","MoKα","","0.062","0.052","","0.069","","0.063","","","1.37","","","1.37","","","","has coordinates","176435","2020-10-21","18:00:00","" "2011868","13.3463","0.0003","23.46","0.0001","14.5584","0.0003","90","","100.56","0.001","90","","4481.09","0.14","173","1","173","1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","iodo(pyridine-N)(5,10,15,20-tetraphenylporphyrinato-κ^4^N)rhodium(III) toluene solvate","","- C56 H41 I N5 Rh -","- C56 H41 I N5 Rh -","- C224 H164 I4 N20 Rh4 -","4","1","FG1606","Jameson, Geoffrey B.; Collman, James P.; Boulatov, Roman","Superimposed saddle and ruffled distortions of the porphyrin in iodo(pyridine-N)(5,10,15,20-tetraphenylporphyrinato-κ^4^N)rhodium(III) toluene solvate","Acta Crystallographica Section C","2001","57","4","406","408","10.1107/S0108270101001536","","","0.7107","MoKα","","0.134","0.07","","","","0.126","","","","","","1.13","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00","" "2011869","19.4661","0.0007","10.7312","0.0004","8.3","0.0003","90","","90","","90","","1733.83","0.11","123","1","123","1","","","","","","","","4","P b c n","-P 2n 2ab","60","Compound 1","2,7‒dihydro‒2,2,7,7‒tetramethyl‒3,6‒diphenyl‒1,4,5‒thiadiazepine","","- C20 H22 N2 S -","- C20 H22 N2 S -","- C80 H88 N8 S4 -","4","0.5","FG1607","Cuthbertson, Eric; Frampton, Christopher S.; MacNicol, David D.","A comparison of 2,7-dihydro-2,2,7,7-tetramethyl-3,6-diphenyl-1,4,5-thiadiazepine and the corresponding 1,1-dioxide","Acta Crystallographica Section C","2001","57","4","431","432","10.1107/S0108270100020564","","","0.71073","MoKα","","0.0386","0.0335","","","","0.1219","","","","","","1.007","","","","has coordinates","176760","2020-10-21","18:00:00","" "2011870","18.9551","0.0011","11.4905","0.0007","8.1745","0.0004","90","","90","","90","","1780.44","0.17","123","1","123","1","","","","","","","","5","P b c n","-P 2n 2ab","60","Compound 2","2,7‒dihydro‒2,2,7,7‒tetramethyl‒3,6‒diphenyl‒1,4,5‒thiadiazepine‒1,1 ‒dioxide","","- C20 H22 N2 O2 S -","- C20 H22 N2 O2 S -","- C80 H88 N8 O8 S4 -","4","0.5","FG1607","Cuthbertson, Eric; Frampton, Christopher S.; MacNicol, David D.","A comparison of 2,7-dihydro-2,2,7,7-tetramethyl-3,6-diphenyl-1,4,5-thiadiazepine and the corresponding 1,1-dioxide","Acta Crystallographica Section C","2001","57","4","431","432","10.1107/S0108270100020564","","","0.71073","MoKα","","0.0438","0.0337","","","","0.0928","","","","","","1.006","","","","has coordinates","176760","2020-10-21","18:00:00","" "2011871","8.6663","0.0009","9.671","0.003","15.47","0.004","90","","90","","90","","1296.6","0.5","150","2","150","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C15 H20 O2 -","- C15 H20 O2 -","- C60 H80 O8 -","4","1","FG1617","Ellis, Dianne D.; Spek, Anthony L.","(3R,4aS,5R)-3-Hydroxy-5-isopropenyl-3,8-dimethyl-4,4a,5,6-tetrahydro-2(3H)-naphthalenone","Acta Crystallographica Section C","2001","57","4","497","498","10.1107/S0108270101002049","","","0.71073","MoKα","","0.0491","0.0395","","","","0.1002","","","","","","1.019","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00","" "2011872","9.494","0.002","15.936","0.003","7.137","0.0014","90","","90","","90","","1079.8","0.4","293","2","293","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","Dichloro(2,2'-diamino-4,4'-bi-1,3-thiazole-N^3^,N^3^')copper(II)","","- C6 H6 Cl2 Cu N4 S2 -","- C6 H6 Cl2 Cu N4 S2 -","- C24 H24 Cl8 Cu4 N16 S8 -","4","0.5","FR1305","Liu, Jia-Geng; Nie, Jing-Jing; Xu, Duan-Jun; Xu, Yuan-Zhi; Wu, Jing-Yun; Chiang, Michael Y.","Dichloro(2,2'-diamino-4,4'-bi-1,3-thiazole-N^3^,N^3'^)copper(II)","Acta Crystallographica Section C","2001","57","4","354","355","10.1107/S0108270100020163","","","0.71073","MoKα","","0.027","0.023","","0.063","","0.061","","","1.13","","","1.153","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00","" "2011873","16.785","0.003","10.211","0.002","14.054","0.003","90","","102.54","0.03","90","","2351.3","0.8","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","[(2-(Imidazol-4-yl)ethylamine]{[2-(imidazol-4-yl) ethyl][(1-methylimidazol-2-yl)methyl]amine}copper(II) diperchlorate","","- C15 H24 Cl2 Cu N8 O8 -","- C15 H24 Cl2 Cu N8 O8 -","- C60 H96 Cl8 Cu4 N32 O32 -","4","1","FR1308","Scarpellini, Marciela; Neves, Ademir; Bortoluzzi, Adailton J.; Joussef, Antônio C.","[2-(Imidazol-4-yl)ethylamine]{[2-(imidazol-4-yl)ethyl][(1-methylimidazol-2-yl)methyl]amine}copper(II) diperchlorate","Acta Crystallographica Section C","2001","57","4","356","358","10.1107/S0108270100020254","","","0.71073","MoKα","","0.115","0.043","","","","0.114","","","","","","1.021","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00","" "2011874","5.966","0.003","13.392","0.002","14.898","0.003","90","","93.01","0.02","90","","1188.7","0.7","303","2","303","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C14 H12 Cl N O2 -","- C14 H12 Cl N O2 -","- C56 H48 Cl4 N4 O8 -","4","1","FR1313","Elmali, Ayhan; Elerman, Yalc̨ın; Svoboda, Ingrid","5-Chloro-N-(2-hydroxy-5-methylphenyl)salicylaldimine","Acta Crystallographica Section C","2001","57","4","485","486","10.1107/S0108270101000993","","","0.71073","MoKα","","0.042","0.037","","","","0.1063","","","","","","1.069","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00","" "2011875","10.601","0.002","8.673","0.002","15.322","0.005","90","","103.81","0.02","90","","1368","0.6","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","4-ethoxycarbonyl-3-hydroxy-3-phenylcyclohexanone","","- C15 H18 O4 -","- C15 H18 O4 -","- C60 H72 O16 -","4","1","FR1318","Hernández-Ortega, Simón; Jiménez-Cruz, Federico; Ríos-Olivares, Héctor; Rubio-Arroyo, Manuel","4-Ethoxycarbonyl-3-hydroxy-3-phenylcyclohexanone","Acta Crystallographica Section C","2001","57","4","425","427","10.1107/S0108270100020461","","","0.71073","MoKα","","0.14","0.048","","","","0.128","","","","","","0.765","","","","has coordinates","201957","2020-10-21","18:00:00","" "2011876","12.538","0.004","16.239","0.006","7.866","0.005","90","","90","","90","","1601.6","1.3","298","2","298","2","","","","","","","","5","C m c m","-C 2c 2","63","","Pentacarbonyl(4-phenylpyridine)tungsten(0)","","- C16 H9 N O5 W -","- C16 H9 N O5 W -","- C64 H36 N4 O20 W4 -","4","0.25","GD1123","Creaven, Bernadette S.; Howie, R. Alan; .; Long, Conor; .","Pentacarbonyl(4-phenylpyridine)tungsten(0) and pentacarbonyl(2-phenylpyridine)chromium(0)","Acta Crystallographica Section C","2001","57","4","385","387","10.1107/S0108270101000622","","","0.71073","MoKα","","0.037","0.032","","","","0.072","","","","","","1.083","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00","" "2011877","6.223","0.004","13.635","0.012","18.17","0.009","90","","92.6","0.05","90","","1540.1","1.8","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Pentacarbonyl(2-phenylpyridine)chromium(0)","","- C16 H9 Cr N O5 -","- C16 H9 Cr N O5 -","- C64 H36 Cr4 N4 O20 -","4","1","GD1123","Creaven, Bernadette S.; Howie, R. Alan; Long, Conor","Pentacarbonyl(4-phenylpyridine)tungsten(0) and pentacarbonyl(2-phenylpyridine)chromium(0)","Acta Crystallographica Section C","2001","57","4","385","387","10.1107/S0108270101000622","","","0.71073","MoKα","","0.203","0.087","","","","0.157","","","","","","1.026","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00","" "2011878","6.65","0.0012","12.261","0.003","16.058","0.003","90","","92.19","0.03","90","","1308.3","0.5","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Di-μ-chloro-dicarbonyl-cis,cis-η^4^-1,5-cyclooctadienedirhodium(I)","","- C10 H12 Cl2 O2 Rh2 -","- C10 H12 Cl2 O2 Rh2 -","- C40 H48 Cl8 O8 Rh8 -","4","1","GD1124","Abou Rida, Maurice; Saikaili, Joseph; Smith, Anthony K.; Thozet, Alain","Dicarbonyldi-μ-chloro-cis,cis-η^4^-1,5-cyclooctadienedirhodium(I)","Acta Crystallographica Section C","2001","57","4","352","353","10.1107/S0108270100020035","","","0.71069","MoKα","","0.1182","0.0671","","","","0.196","","","","","","1.118","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00","" "2011879","7.017","0.001","7.307","0.001","18.091","0.001","94.673","0.003","92.059","0.003","106.633","0.003","884.11","0.18","298","2","298","2","","","","","","","","5","P -1","-P 1","2","sulfasalazine","2-hydroxy-5-[[4-[(2-pyridinylamino)sulfonyl]phenyl]azo]benzoic acid","","- C18 H14 N4 O5 S -","- C18 H14 N4 O5 S -","- C36 H28 N8 O10 S2 -","2","1","GD1126","Filip, Lorena A.; Caira, Mino R.; Fǎrcaş, Sorin I.; Bojiţǎ, Marius T.","Triclinic polymorph of sulfasalazine","Acta Crystallographica Section C","2001","57","4","435","436","10.1107/S0108270100020771","","","0.71073","MoKα","","0.0643","0.0428","","","","0.1134","","","","","","1.032","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00","" "2011880","6.318","0.003","15.867","0.01","7.571","0.004","90","","115.03","0.03","90","","687.7","0.7","150","2","150","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","4-Ethynyl-1,2-methylenedioxybenzene","","- C9 H6 O2 -","- C9 H6 O2 -","- C36 H24 O8 -","4","1","GD1130","Lawrence, Simon E.; Blake, Alexander J.; Maguire, Anita R.; Moynihan, Edmond J.A.","4-Ethynyl-1,2-methylenedioxybenzene at 150K","Acta Crystallographica Section C","2001","57","4","412","413","10.1107/S0108270100019909","","","0.71073","MoKα","","0.175","0.086","","","","0.163","","","","","","1.153","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00","" "2011881","8.0746","0.0008","11.4613","0.0011","9.1121","0.0009","90","","90.338","0.002","90","","843.27","0.14","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","pseudokobusine","Hetisan-6, 11(β), 15(β)-triol","","- C20 H27 N O3 -","- C20 H27 N O3 -","- C40 H54 N2 O6 -","2","1","GG9019","Mehmet Akkurt","Pseudokobusine. Erratum","Acta Crystallographica Section C","2001","57","4","500","500","10.1107/S0108270101003948","","","0.71073","MoKα","","0.097","0.044","","","","0.094","","","","","","0.813","","","","has coordinates","201957","2020-10-21","18:00:00","" "2011882","3.1546","0.0006","9.988","0.002","9.6769","0.0019","90","","90","","90","","304.9","0.1","293","2","293","2","","","","","","","","3","P b c m","-P 2c 2b","57","Calcium dimanganese Oxide","Calcium dimanganese(III) Oxide","","- Ca Mn2 O4 -","- Ca Mn2 O4 -","- Ca4 Mn8 O16 -","4","0.5","IZ1001","Giesber, Henry G.; Pennington, William T.; Kolis, Joseph W.","Redetermination of CaMn~2~O~4~","Acta Crystallographica Section C","2001","57","4","329","330","10.1107/S0108270100011367","","","0.71073","MoKα","","0.0225","0.0224","","0.0515","","0.0515","","","1.332","","","1.332","","","","has coordinates","176760","2020-10-21","18:00:00","" "2011883","10.4889","0.0008","8.1503","0.0009","7.244","0.0012","90","","90","","90","","619.27","0.13","293","2","293","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","barium oxo-aluminate hydride","","- Al Ba3 H O4 -","- Al Ba3 H O4 -","- Al4 Ba12 H4 O16 -","4","0.5","IZ1007","Zumdick, Markus; Althoff, Gerhard; Röhr, Caroline","Barium oxoaluminate hydride","Acta Crystallographica Section C","2001","57","4","339","340","10.1107/S0108270100020229","","","0.7107","MoKα","","0.0251","0.0225","","","","0.0543","","","","","","1.129","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00","" "2011884","9.9639","0.0006","9.9639","0.0006","9.3806","0.0009","90","","90","","90","","931.3","0.12","298","5","293","2","","","","","","","","5","I 41/a :2","-I 4ad","88","Gismondine","","","- Ga5.76 H6.8 K5.76 O35.36 Si10.24 -","- Ga5.76 K5.76 O35.36 Si10.24 -","- Ga5.76 K5.76 O35.36 Si10.24 -","1","0.0625","IZ1009","Tripathi, Akhilesh; Parise, John; Kim, Sun Jin; Lee, Yongjae; Uh, Young Sun","K~5.76~Ga~5.76~Si~10.24~O~32~·3.4H~2~O, a gallosilicate with the zeolite gismondine topology","Acta Crystallographica Section C","2001","57","4","344","346","10.1107/S0108270100021090","","","0.643","Synchrotron","","0.0844","0.0671","","","","0.1558","","","","","","1.131","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00","" "2011885","8.8047","0.0002","8.8047","0.0002","5.4329","0.0002","90","","90","","90","","421.17","0.02","293","2","293","2","","","","","","","","3","I -4 2 d","I -4 2bw","122","zinc cyanamide","zinc cyanamide","","- C N2 Zn -","- C N2 Zn -","- C8 N16 Zn8 -","8","0.5","IZ1010","Becker, Michael; Jansen, Martin","Zinc cyanamide, Zn(CN~2~)","Acta Crystallographica Section C","2001","57","4","347","348","10.1107/S0108270101000865","","","0.71073","MoKα","","0.0268","0.0233","","","","0.0534","","","","","","1.007","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00","" "2011886","8.6469","0.0005","17.8651","0.0008","28.7434","0.0015","90","","90","","90","","4440.2","0.4","193","2","193","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","(Dicyanamido)bis(2,2'-bipyridine)copper(II) tetrafluoroborate","","- C22 H16 B Cu F4 N7 -","- C22 H16 B Cu F4 N7 -","- C176 H128 B8 Cu8 F32 N56 -","8","1","JZ1434","Potočňák, Ivan; Dunaj-Jurčo, Michal; Mikloš, Dušan; Massa, Werner; Jäger, Lothar","Bis(2,2'-bipyridine)(dicyanamido)copper(II) tetrafluoroborate","Acta Crystallographica Section C","2001","57","4","363","365","10.1107/S0108270100020503","","","0.71073","MoKα","","0.087","0.045","","","","0.141","","","","","","0.865","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00","" "2011887","9.0382","0.0007","19.2008","0.0013","11.9087","0.0008","90","","96.579","0.006","90","","2053","0.3","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","(Z)-1-(4,5-dinitroimidazol-1-yl)-3-morpholinopropan-2-one 2,4-dinitrophenylhydrazone","","- C16 H17 N9 O9 -","- C16 H17 N9 O9 -","- C64 H68 N36 O36 -","4","1","JZ1436","Gzella, Andrzej; Wrzeciono, Urszula; Pöppel, Wolfram","Azole. 45. Über 2,4-Dinitrophenylhydrazone von Morpholinonitroimidazolderivaten","Acta Crystallographica Section C","2001","57","4","462","466","10.1107/S0108270101000270","","","1.54178","CuKα","","0.055","0.042","","","","0.127","","","","","","1.077","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00","" "2011888","8.0664","0.0006","12.3698","0.001","13.228","0.0013","111.282","0.008","106.037","0.007","90.735","0.006","1172.55","0.19","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","(Z)-1-(4-morpholino-5-nitroimidazol-1-yl)-3-morpholinopropan-2-one 2,4-dinitrophenylhydrazone","","- C20 H25 N9 O8 -","- C20 H25 N9 O8 -","- C40 H50 N18 O16 -","2","1","JZ1436","Gzella, Andrzej; Wrzeciono, Urszula; Pöppel, Wolfram","Azole. 45. Über 2,4-Dinitrophenylhydrazone von Morpholinonitroimidazolderivaten","Acta Crystallographica Section C","2001","57","4","462","466","10.1107/S0108270101000270","","","1.54178","CuKα","","0.045","0.036","","","","0.106","","","","","","1.037","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00","" "2011889","7.2885","0.0006","27.686","0.002","14.3642","0.0011","90","","101.707","0.008","90","","2838.2","0.4","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(E)-1-(4-morpholino-5-nitroimidazol-1-yl)-3-morpholinopropan-2-one 2,4-dinitrophenylhydrazone tetrahydrofuran solvate","","- C24 H33 N9 O9 -","- C24 H33 N9 O9 -","- C96 H132 N36 O36 -","4","1","JZ1436","Gzella, Andrzej; Wrzeciono, Urszula; Pöppel, Wolfram","Azole. 45. Über 2,4-Dinitrophenylhydrazone von Morpholinonitroimidazolderivaten","Acta Crystallographica Section C","2001","57","4","462","466","10.1107/S0108270101000270","","","1.54178","CuKα","","0.065","0.046","","","","0.154","","","","","","1.048","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00","" "2011890","12.3403","0.0008","18.3849","0.0017","8.5868","0.0006","90","","91.958","0.008","90","","1947","0.3","153","2","153","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H18 N4 O -","- C24 H18 N4 O -","- C96 H72 N16 O4 -","4","1","JZ1445","Ana Tesouro Vallina; Helen Stoeckli-Evans","Bis[4-(2-pyridylmethyleneamino)phenyl] ether","Acta Crystallographica Section C","2001","57","4","489","490","10.1107/S0108270101001111","","","0.71073","MoKα","","0.0462","0.0347","","","","0.0942","","","","","","1.015","","","","has coordinates","201957","2020-10-21","18:00:00","" "2011891","11.749","0.001","12.296","0.001","14.591","0.001","90","","107.544","0.003","90","","2009.9","0.3","293","2","293","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","Diethylammonium [2-(2,6-dichlorophenylamino)phenyl]acetate hydrate","","- C18 H24 Cl2 N2 O3 -","- C18 H24 Cl2 N2 O3 -","- C72 H96 Cl8 N8 O12 -","4","1","NA1485","Castellari, Carlo; Comelli, Fabio; Ottani, Stefano","Anti-inflammatory drugs. IX. Hydrated diethylammonium [2-(2,6-dichlorophenylamino)phenyl]acetate (HDEA·D·H~2~O)","Acta Crystallographica Section C","2001","57","4","437","438","10.1107/S010827010002076X","","","0.71073","MoKα","","0.097","0.048","","0.146","","0.121","","","0.9","","","1.055","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00","" "2011892","6.5984","0.0005","7.1839","0.0004","11.2817","0.0006","103.084","0.004","98.38","0.005","102.485","0.005","497.81","0.06","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C12 H11 N O3 -","- C12 H11 N O3 -","- C24 H22 N2 O6 -","2","1","NA1499","Ellis, Dianne D.; Spek, Anthony L.","3-(1-Hydroxyethylidene)-1-phenylpyrrolidine-2,4-dione","Acta Crystallographica Section C","2001","57","4","433","434","10.1107/S0108270100020758","","","0.71073","MoKα","","0.0677","0.0439","","","","0.1155","","","","","","1.022","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00","" "2011893","6.5843","0.0005","10.404","0.0007","22.3443","0.0012","90","","90","","90","","1530.65","0.18","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","(5S,9S,17S)-9(10\ρightarrow5)-abeo-4,5-dihydroestrene-17-hydroxy-3,10-dione","","- C18 H26 O3 -","- C18 H26 O3 -","- C72 H104 O12 -","4","1","NA1501","Pilati, Tullio; Casalone, Gianluigi","Two 17-hydroxy-9(10→5)-abeo-estr-4-ene-3,10-diones","Acta Crystallographica Section C","2001","57","4","495","496","10.1107/S0108270101001767","","","0.71073","MoKα","","0.0426","0.0345","","","","0.0861","","","","","","0.979","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00","" "2011894","6.6278","0.0005","11.1491","0.0009","21.1609","0.0019","90","","90","","90","","1563.7","0.2","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","(5R,9R,17S)-9(10\ρightarrow5)-abeo-4,5-dihydroestrene-17-hydroxy-3,10-dione","","- C18 H26 O3 -","- C18 H26 O3 -","- C72 H104 O12 -","4","1","NA1501","Pilati, Tullio; Casalone, Gianluigi","Two 17-hydroxy-9(10→5)-abeo-estr-4-ene-3,10-diones","Acta Crystallographica Section C","2001","57","4","495","496","10.1107/S0108270101001767","","","0.71073","MoKα","","0.065","0.0393","","","","0.0915","","","","","","0.96","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00","" "2011895","12.826","0.002","7.392","0.001","11.447","0.002","90","","90","","90","","1085.3","0.3","200","2","200","","","","","","","","","6","P n m a","-P 2ac 2n","62","","diiodo-3,4,5,6-tetrahydropyrimidinium-2-thiolato mercury(II)","","- C4 H8 Hg I2 N2 S -","- C4 H8 Hg I2 N2 S -","- C16 H32 Hg4 I8 N8 S4 -","4","0.5","NA1502","Matković-Čalogović, Dubravka; Popović, Zora; Pavlović, Gordana; Soldin, Željka; Giester, Gerald","Diiodo(3,4,5,6-tetrahydropyrimidinium-2-thiolato-S)mercury(II)","Acta Crystallographica Section C","2001","57","4","409","411","10.1107/S0108270101001822","","","0.71073","MoKα","","0.0293","0.0247","","","","0.0565","","","","","","1.116","","","","has coordinates","176760","2020-10-21","18:00:00","" "2011896","28.485","0.002","12.964","0.003","5.413","0.002","90","","93.27","0.03","90","","1995.7","0.9","293","","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","Trimethorprim maleate","","","- C18 H22 N4 O7 -","- C18 H22 N4 O7 -","- C72 H88 N16 O28 -","4","1","OA1113","Prabakaran, Ponraj; Justin Robert, Jebamony; Thomas Muthiah, Packianathan; Bocelli, Gabriele; Righi, Lara","Aminopyrimidine‒carboxyl(ate) interactions in trimethoprim maleate, an antifolate drug","Acta Crystallographica Section C","2001","57","4","459","461","10.1107/S0108270101000269","","","1.54178","CuKα","","0.1465","0.0651","","","","0.2569","","","","","","0.911","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00","" "2011897","11.046","0.003","27.336","0.004","6.707","0.006","90","","97.45","0.04","90","","2008.1","1.9","296.2","","","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C16 H14 As Cl2 N4 -","- C16 H14 As Cl2 N4 -","- C64 H56 As4 Cl8 N16 -","4","0.5","OA1116","Ueda, Kazumasa; Sugimoto, Toyonari; Tada, Toshiji; Nishimura, Kei-ichiro; Mochida, Tomoyuki","A uniform and one-dimensional stacking of 2,5-dichlorotetracyanoquinodimethanide molecules in the tetramethylarsonium salt","Acta Crystallographica Section C","2001","57","4","400","402","10.1107/S0108270101000245","","","0.7107","MoKα","","","0.0626","","","","0.0905","","","","","","1.954","","","","has coordinates","176760","2020-10-21","18:00:00","" "2011898","8.5981","0.0003","5.1355","0.0002","18.2159","0.0007","90","","90","","90","","804.33","0.05","253","2","253","1","","","","","","","","4","P b c n","-P 2n 2ab","60","","3,3'-Selenobis(propionic acid)","","- C6 H10 O4 Se -","- C6 H10 O4 Se -","- C24 H40 O16 Se4 -","4","0.5","OS1132","Doudin, Khaled I.; Songstad, Jon; Törnroos, Karl W.","3,3'-Selenobis(propionic acid)","Acta Crystallographica Section C","2001","57","4","439","440","10.1107/S0108270100021077","","","0.71073","MoKα","","0.0335","0.0232","","","","0.0612","","","","","","1.15","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00","" "2011899","5.7502","0.0009","5.7502","0.0009","8.637","0.003","90","","90","","90","","285.58","0.12","293","","293","","","","","","","","","3","I 41/a m d :2","-I 4bd 2","141","","","","- Li0.91 Mn2.09 O4 -","- Li0.907 Mn2.093 O4 -","- Li3.628 Mn8.372 O16 -","4","0.125","SK1365","Björk, Helen; Dabkowska, Hanna; Greedan, John E.; Gustafsson, Torbjörn; Thomas, John O.","(Li~0.91~Mn~0.09~)Mn~2~O~4~","Acta Crystallographica Section C","2001","57","4","331","332","10.1107/S0108270100019430","","","0.71073","MolybdenumKα~1~","","0.038","0.038","","0.083","","0.083","","","","","","3.94","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00","" "2011900","7.382","0.003","18.187","0.011","5.413","0.002","90","","90","","90","","726.7","0.6","293","2","293","2","","","","","","","","4","A m a 2","A 2 -2a","40","Rubidiumdicoppervanadiumtetrasulfide","Rubidiumdicoppervanadiumtetrasulfide","","- Cu2 Rb S4 V -","- Cu2 Rb S4 V -","- Cu8 Rb4 S16 V4 -","4","0.5","SK1402","Tillinski, Ralf; Näther, Christian; Bensch, Wolfgang","RbCu~2~VS~4~","Acta Crystallographica Section C","2001","57","4","333","334","10.1107/S0108270100019442","","","0.71073","MoKα","","0.058","0.033","","","","0.078","","","1.039","1.08","1.08","","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00","" "2011901","13.852","0.0003","20.076","0.0004","10.474","0.0002","90","","125.066","0.0012","90","","2384.05","0.09","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","[1,6-bis(dimethylamino)methyl]phenyl}diphenyltin bromine monohydrate","","- C24 H31 Br N2 O Sn -","- C24 H31 Br N2 O Sn -","- C96 H124 Br4 N8 O4 Sn4 -","4","0.5","SK1427","Jambor, Roman; Císařová, Ivana; Rǔžička, Aleš; Holeček, Jaroslav","{2,6-Bis[(dimethylamino)methyl]phenyl-N^2^,C^1^,N^6^}diphenyltin(II) bromide monohydrate","Acta Crystallographica Section C","2001","57","4","373","374","10.1107/S0108270101000026","","","0.71073","MoKα","","0.0211","0.0202","","","","0.0503","","","","","","1.114","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00","" "2011902","8.558","0.003","12.989","0.003","24.991","0.005","90","","90","","90","","2778","1.3","293","2","293","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C34 H22 Cl Fe N2 O2 S2 -","- C34 H22 Cl Fe N2 O2 S2 -","- C136 H88 Cl4 Fe4 N8 O8 S8 -","4","1","SK1428","Elmali, Ayhan; Elerman, Yalc̨ın; Svoboda, Ingrid","{Bis[2-(2-oxido-1-naphthylmethylideneamino)phenyl] disulfide}chloroiron(III)","Acta Crystallographica Section C","2001","57","4","375","376","10.1107/S0108270101000038","","","0.71073","MoKα","","0.029","0.024","","","","0.067","","","","","","1.078","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00","" "2011903","9.5078","0.0002","9.5078","0.0002","87.797","0.002","90","","90","","120","","6873.4","0.3","293","2","293","2","","","","","","","","3","R -3 :H","-R 3","148","","","","- Mo21 Rb4 Se24 -","- Mo21 Rb4 Se24 -","- Mo126 Rb24 Se144 -","6","0.333333","SK1436","Picard, S.; Gougeon, P.; Potel, M.","Rb~4~Mo~21~Se~24~ containing Mo~12~ and Mo~15~ clusters","Acta Crystallographica Section C","2001","57","4","335","336","10.1107/S0108270100019466","","","0.71073","MoKα","","0.118","0.051","","","","0.117","","","","","","0.959","","","","has coordinates","176760","2020-10-21","18:00:00","" "2011904","9.71","0.002","10.3412","0.0012","11.051","0.002","89.442","0.011","82.317","0.014","70.628","0.008","1036.7","0.3","143","2","143","2","","","","","","","","3","P -1","-P 1","2","","Dimethyl dispiro[tricyclo[3.3.1.1^3,7^]decan-1,2'-bicyclo[1.1.0]butan-4',1""- tricyclo[3.3.1.1^3,7^]decane]-1',3'-dicarboxylate","","- C26 H34 O4 -","- C26 H34 O4 -","- C52 H68 O8 -","2","1","SK1443","Bats, Jan W.; Bolte, Michael; Grundl, Marc A.; Hashmi, A. Stephen K.","Dimethyl dispiro[tricyclo[3.3.1.1^3,7^]decane-1,2'-bicyclo[1.1.0]butane-4',1''-tricyclo[3.3.1.1^3,7^]decane]-1',3'-dicarboxylate, a strain-enhanced bicyclo[1.1.0]butane with a very short intramolecular C—H···H—C contact","Acta Crystallographica Section C","2001","57","4","441","443","10.1107/S010827010100004X","","","0.71073","MoKα","","0.051","0.04","","","","0.108","","","","","","1.06","","","","has coordinates","201957","2020-10-21","18:00:00","" "2011905","11.459","0.002","9.7078","0.0011","13.468","0.004","90","","90","","90","","1498.2","0.5","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Poly[copper(I)-μ-bromo-μ-2,3-dimethylpyrazine-N:N']","","- C6 H8 Br Cu N2 -","- C6 H8 Br Cu N2 -","- C48 H64 Br8 Cu8 N16 -","8","1","SK1444","Näther, Christian; Greve, Jan","Poly[copper(I)-μ-bromo-μ-2,3-dimethylpyrazine-N:N']","Acta Crystallographica Section C","2001","57","4","377","378","10.1107/S0108270101000051","","","0.71073","MoKα","","0.057","0.032","","","","0.085","","","","","","1.048","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00","" "2011906","21.186","0.004","21.186","0.004","36.633","0.001","90","","90","","90","","16443","4","173","2","173","2","","","","","","","","4","I 41 c d","I 4bw -2c","110","","","","- C23 H27 F O4 -","- C23 H27 F O4 -","- C736 H864 F32 O128 -","32","2","SK1446","Bolte, Michael; Degen, Alexander; Rühl, Stephan","Packing considerations of bis-dimedone derivatives","Acta Crystallographica Section C","2001","57","4","446","451","10.1107/S0108270101001792","","","0.71073","MoKα","","0.057","0.0433","","","","0.0825","","","","","","1.046","","","","has coordinates","201957","2020-10-21","18:00:00","" "2011907","14.892","0.001","11.813","0.001","13.351","0.001","90","","115.78","0.01","90","","2114.9","0.3","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C23 H27 Cl O4 -","- C23 H27 Cl O4 -","- C92 H108 Cl4 O16 -","4","1","SK1446","Bolte, Michael; Degen, Alexander; Rühl, Stephan","Packing considerations of bis-dimedone derivatives","Acta Crystallographica Section C","2001","57","4","446","451","10.1107/S0108270101001792","","","0.71073","MoKα","","0.0656","0.0397","","","","0.1007","","","","","","1.007","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00","" "2011908","9.736","0.002","11.37","0.003","18.263","0.003","90","","99.54","0.01","90","","1993.7","0.7","173","2","173","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C23 H28 O5 -","- C23 H28 O5 -","- C92 H112 O20 -","4","1","SK1446","Bolte, Michael; Degen, Alexander; Rühl, Stephan","Packing considerations of bis-dimedone derivatives","Acta Crystallographica Section C","2001","57","4","446","451","10.1107/S0108270101001792","","","0.71073","MoKα","","0.1784","0.0792","","","","0.2257","","","","","","1.223","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00","" "2011909","9.339","0.001","11.638","0.001","20.052","0.001","90","","102.65","0.01","90","","2126.5","0.3","173","2","173","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C24 H30 O4 -","- C24 H30 O4 -","- C96 H120 O16 -","4","1","SK1446","Bolte, Michael; Degen, Alexander; Rühl, Stephan","Packing considerations of bis-dimedone derivatives","Acta Crystallographica Section C","2001","57","4","446","451","10.1107/S0108270101001792","","","0.71073","MoKα","","0.0559","0.041","","","","0.111","","","","","","1.038","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00","" "2011910","8.916","0.002","11.573","0.002","21.106","0.005","90","","98.15","0.01","90","","2155.8","0.8","173","2","173","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C24 H30 O5 -","- C24 H30 O5 -","- C96 H120 O20 -","4","1","SK1446","Bolte, Michael; Degen, Alexander; Rühl, Stephan","Packing considerations of bis-dimedone derivatives","Acta Crystallographica Section C","2001","57","4","446","451","10.1107/S0108270101001792","","","0.71073","MoKα","","0.0809","0.046","","","","0.1141","","","","","","1","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00","" "2011911","9.223","0.001","12.012","0.001","20.661","0.001","90","","101.42","0.01","90","","2243.6","0.3","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C25 H33 N O4 -","- C25 H33 N O4 -","- C100 H132 N4 O16 -","4","1","SK1446","Bolte, Michael; Degen, Alexander; Rühl, Stephan","Packing considerations of bis-dimedone derivatives","Acta Crystallographica Section C","2001","57","4","446","451","10.1107/S0108270101001792","","","0.71073","MoKα","","0.0871","0.0557","","","","0.1314","","","","","","1.029","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00","" "2011912","11.936","0.003","12.969","0.004","16.204","0.005","74.5","0.01","90.16","0.01","65.5","0.01","2180.9","1.1","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C23 H26 Cl2 O4 -","- C23 H26 Cl2 O4 -","- C92 H104 Cl8 O16 -","4","2","SK1447","Bolte, Michael; Degen, Alexander; Rühl, Stephan","Two diastereomers of 9-(2,6-dichlorophenyl)-4a-hydroxy-3,3,6,6-tetramethyl-1,2,3,4,4a,5,6,7,8,9a-decahydroxanthene-1,8-dione in the same crystal","Acta Crystallographica Section C","2001","57","4","444","445","10.1107/S0108270101000063","","","0.71073","MoKα","","0.1534","0.0787","","","","0.2414","","","","","","0.916","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00","" "2011913","12.052","0.003","8.009","0.003","14.354","0.003","90","","92.35","0.02","90","","1384.3","0.7","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","ethylhydroxamic acid","N-propionylhydroxylamine","","- C3 H7 N O2 -","- C3 H7 N O2 -","- C36 H84 N12 O24 -","12","3","SK1449","Ferguson, George; Glidewell, Christopher","N-Propionylhydroxylamine forms a three-dimensional hydrogen-bonded framework structure","Acta Crystallographica Section C","2001","57","4","452","454","10.1107/S0108270101000075","","","0.71073","MoKα","","0.0504","0.0376","","","","0.1138","","","","","","1.02","","","","has coordinates","201957","2020-10-21","18:00:00","" "2011914","10.4286","0.0005","12.1213","0.0012","14.6271","0.0018","90","","90","","90","","1849","0.3","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","dimethylglycinium trifluoroacetate","1-Carboxy-N,N-dimethylmethanaminium trifluoroacetate","","- C6 H10 F3 N O4 -","- C6 H10 F3 N O4 -","- C48 H80 F24 N8 O32 -","8","1","SK1450","Rodrigues, V. H.; Paixão, J. A.; Costa, M. M. R. R.; Matos Beja, A.","Conformation of cationic N,N-dimethylglycine in dimethylglycinium trifluoroacetate","Acta Crystallographica Section C","2001","57","4","417","420","10.1107/S0108270101000087","","","0.71073","MoKα","","0.052","0.037","","","","0.105","","","","","","1.038","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00","" "2011915","4.4772","0.0003","11.1379","0.0007","13.1891","0.0009","90","","94.748","0.001","90","","655.44","0.08","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","1,3-diamino-4 -nitrobenzene","","- C6 H7 N3 O2 -","- C6 H7 N3 O2 -","- C24 H28 N12 O8 -","4","1","SK1454","Glidewell, Christopher; Cannon, Debbie; Quesada, Antonio; Low, John N.; McWilliam, Susan A.; Skakle, Janet M. S.; Wardell, James L.","Hydrogen bonding in substituted nitroanilines: isolated nets in 1,3-diamino-4-nitrobenzene and continuously interwoven nets in 3,5-dinitroaniline","Acta Crystallographica Section C","2001","57","4","455","458","10.1107/S0108270101001809","","","0.71073","MoKα","","0.0918","0.0587","","","","0.1925","","","","","","1.037","","","","has coordinates","201957","2020-10-21","18:00:00","" "2011916","8.5377","0.0006","14.0119","0.0009","12.7071","0.0008","90","","90.899","0.002","90","","1519.96","0.17","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","3,5-dinitroaniline","","- C6 H5 N3 O4 -","- C6 H5 N3 O4 -","- C48 H40 N24 O32 -","8","2","SK1454","Glidewell, Christopher; Cannon, Debbie; Quesada, Antonio; Low, John N.; McWilliam, Susan A.; Skakle, Janet M. S.; Wardell, James L.","Hydrogen bonding in substituted nitroanilines: isolated nets in 1,3-diamino-4-nitrobenzene and continuously interwoven nets in 3,5-dinitroaniline","Acta Crystallographica Section C","2001","57","4","455","458","10.1107/S0108270101001809","","","0.71073","MoKα","","0.1412","0.0464","","","","0.1325","","","","","","0.825","","","","has coordinates","201957","2020-10-21","18:00:00","" "2011917","20.674","0.007","7.653","0.002","19.211","0.006","90","","116.939","0.004","90","","2709.7","1.4","168","2","168","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","{N-[2-(η^5^-cyclopentadienyl)ethyl]-4-toluenesulfonamido-N,O} (tetrahydrofuran-O)bis(trifluoromethanesulfonato-O)titanium(II)","","- C20 H23 F6 N O9 S3 Ti -","- C20 H23 F6 N O9 S3 Ti -","- C80 H92 F24 N4 O36 S12 Ti4 -","4","1","TA1308","Lensink, Cornelis; Gainsford, Graeme J.; Baxter, Neville I.","{N-[2-(η^5^-Cyclopentadienyl)ethyl]-4-toluenesulfonamido-N,O}(tetrahydrofuran-O)bis(trifluoromethanesulfonato-O)titanium(II)","Acta Crystallographica Section C","2001","57","4","366","367","10.1107/S0108270100020515","","","0.71073","MoKα","","0.088","0.044","","","","0.12","","","","","","0.964","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00","" "2011918","11.551","0.004","15.068","0.005","15.218","0.005","90","","93.233","0.005","90","","2644.5","1.5","173","2","173","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","Bis(μ-{N-[η^5^-2-(cyclopentadienyl)ethyl]-p-toluenesulfonamido-N,O:O'}) bis[bis(trifluoromethanesulfonato-O)titanium(II)] bis(dichloromethane) solvate","","- C34 H34 Cl4 F12 N2 O16 S6 Ti2 -","- C34 H34 Cl4 F12 N2 O16 S6 Ti2 -","- C68 H68 Cl8 F24 N4 O32 S12 Ti4 -","2","0.5","TA1309","Lensink, Cornelis; Gainsford, Graeme J.; Baxter, Neville I.","Bis{μ-N-[2-(η^5^-cyclopentadienyl)ethyl]-4-toluenesulfonamido-N,O:O'}bis[bis(trifluoromethanesulfonato-O)titanium(II)] bis(dichloromethane) solvate","Acta Crystallographica Section C","2001","57","4","368","369","10.1107/S0108270100020527","","","0.71073","MoKα","","0.126","0.056","","","","0.139","","","","","","1.053","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00","" "2011919","5.007","0.001","17.676","0.003","6.523","0.001","90","","100.4","0.02","90","","567.83","0.18","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","L-prolinium tartrate","L-prolinium tartrate","","- C9 H15 N O8 -","- C9 H15 N O8 -","- C18 H30 N2 O16 -","2","1","VJ1124","Subha Nandhini, M.; Krishnakumar, R.V.; Natarajan, S.","L-Prolinium tartrate","Acta Crystallographica Section C","2001","57","4","423","424","10.1107/S0108270100020370","","","1.5418","CuKα","","0.0276","0.0275","","","","0.0736","","","","","","1.035","","","","has coordinates,has disorder","176760","2020-10-21","18:00:00","" "2011920","30.992","0.007","8.613","0.004","6.721","0.007","90","","90","","90","","1794","2","293","2","293","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","Cyclohexylammonium (2-oxy-2'-hydroxy-biphenyl)phosphonate","","- C18 H24 N O4 P -","- C18 H24 N O4 P -","- C72 H96 N4 O16 P4 -","4","1","VJ1128","Kumara Swamy, K. C.; Said, Musa A.","Cyclohexylammonium 2'-hydroxy-2-biphenyl phosphonate","Acta Crystallographica Section C","2001","57","4","491","492","10.1107/S0108270101001184","","","0.71073","MoKα","","0.0843","0.0543","","","","0.1769","","","","","","1.137","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00","" "2011921","22.939","0.001","6.574","0.002","16.481","0.002","90","","114.67","0.01","90","","2258.5","0.8","293","2","293","2","","","","","","","","3","C 1 2 1","C 2y","5","Tricoccin R2","","","- C25 H26 O7 -","- C25 H26 O7 -","- C100 H104 O28 -","4","1","VJ1131","Abdul Ajees, A.; Sekar, K.; Parthasarathy, S.; Schenk, H.; Epe, B.; Mondon, A.","Tricoccin R2. Erratum","Acta Crystallographica Section C","2001","57","4","499","499","10.1107/S010827010002045X","","","1.5418","CuKα","","0.0401","0.0364","","","","0.1034","","","","","","1.067","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00","" "2011922","10.292","0.002","5.741","0.001","23.474","0.004","90","","95.05","0.01","90","","1381.6","0.4","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","7-chloro-1-(2,6-difluorophenyl)-1H,3H-thiazolo[3,4-a]benzimidazole","","- C15 H9 Cl F2 N2 S -","- C15 H9 Cl F2 N2 S -","- C60 H36 Cl4 F8 N8 S4 -","4","1","AV1059","Nicoló, Francesco; Bruno, Giuseppe; Scopelliti, Rosario; Grasso, Silvana; Rao, Angela; Zappalá, Maria","7-Chloro-1-(2,6-difluorophenyl)-1H,3H-thiazolo[3,4-a]benzimidazole and 1-(2,6-difluorophenyl)-6-methyl-1H,3H-thiazolo[3,4-a]benzimidazole","Acta Crystallographica Section C","2001","57","5","572","574","10.1107/S0108270101001421","","","0.71073","MoKα","","0.0399","0.0314","","","","0.0891","","","","","","1.066","","","","has coordinates,has Fobs","192027","2020-10-21","18:00:00","" "2011923","7.616","0.001","10.202","0.003","10.868","0.002","108.86","0.02","106.96","0.01","105.46","0.02","701","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","1-(2,6-Difluorophenyl)-6-methyl-1H,3H-thiazolo[3,4-a]benzimidazole","","- C16 H12 F2 N2 S -","- C16 H12 F2 N2 S -","- C32 H24 F4 N4 S2 -","2","1","AV1059","Nicoló, Francesco; Bruno, Giuseppe; Scopelliti, Rosario; Grasso, Silvana; Rao, Angela; Zappalá, Maria","7-Chloro-1-(2,6-difluorophenyl)-1H,3H-thiazolo[3,4-a]benzimidazole and 1-(2,6-difluorophenyl)-6-methyl-1H,3H-thiazolo[3,4-a]benzimidazole","Acta Crystallographica Section C","2001","57","5","572","574","10.1107/S0108270101001421","","","0.71073","MoKα","","0.0459","0.0302","","","","0.0729","","","","","","0.916","","","","has coordinates","191031","2020-10-21","18:00:00","" "2011924","9.9302","0.0008","7.9433","0.0009","7.1288","0.0008","98.31","0.01","110.58","0.01","75.108","0.009","507.83","0.1","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","nitrocarbamimidoyl azide","","- C H2 N6 O2 -","- C H2 N6 O2 -","- C4 H8 N24 O8 -","4","2","AV1067","Vasiliev, Alexander D.; Astachov, Alexander M.; Nefedov, Andrey A.; Kruglyakova, Ludmila A.; Stepanov, Rudolf S.","Nitroguanyl azide","Acta Crystallographica Section C","2001","57","5","625","626","10.1107/S0108270101002827","","","1.5418","CuKα","","0.036","0.0339","","","","0.0951","","","","","","1.087","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00","" "2011925","7.333","0.003","9.389","0.004","17.161","0.007","90","","95.05","0.04","90","","1176.9","0.8","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","4-hydroxy-7-methoxy-2-methyl-5H-1-benzopyrano[4,3-b]pyridin-5-one","","- C14 H11 N O4 -","- C14 H11 N O4 -","- C56 H44 N4 O16 -","4","1","AV1068","Kettmann, Viktor; Světlík, Jan; Kratky, Christoph","4-Hydroxy-7-methoxy-2-methyl-5H-1-benzopyrano[4,3-b]pyridin-5-one","Acta Crystallographica Section C","2001","57","5","590","592","10.1107/S0108270101002360","","","0.71073","MoKα","","0.101","0.054","","0.185","","0.15","","","","","","1.022","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00","" "2011926","15.6","0.004","20.764","0.006","5.826","0.003","90","","90","","90","","1887.1","1.2","173","2","173","2","","","","","","","","6","P 21 21 2","P 2 2ab","18","","(2S)-N-[5-(4-chlorophenyl)-2,3-dihydro-6H-1,3,4-thiadiazin-2-ylidene]-2- (phenylsulfonyl)amino]propanamide","","- C18 H17 Cl N4 O3 S2 -","- C18 H17 Cl N4 O3 S2 -","- C72 H68 Cl4 N16 O12 S8 -","4","1","AV1070","Schröder, Jörg; Wenzel, Herbert; Stammler, Hans-Georg; Stammler, Anja; Neumann, Beate; Tschesche, Harald","Novel heterocyclic inhibitors of matrix metalloproteinases: three 6H-1,3,4-thiadiazines","Acta Crystallographica Section C","2001","57","5","593","596","10.1107/S0108270101002372","","","0.71073","MoKα","","0.074","0.051","","","","0.123","","","","","","1.02","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00","" "2011927","9.675","0.019","12.704","0.019","15.606","0.015","90","","90","","90","","1918","5","173","2","173","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","(2R)-N-[5-(4-fluoro-phenyl)-6H-1,3,4-thiadiazin-2-yl]-2- [(phenylsulfonyl)amino]propanamide","","- C18 H17 F N4 O3 S2 -","- C18 H17 F N4 O3 S2 -","- C72 H68 F4 N16 O12 S8 -","4","1","AV1070","Schröder, Jörg; Wenzel, Herbert; Stammler, Hans-Georg; Stammler, Anja; Neumann, Beate; Tschesche, Harald","Novel heterocyclic inhibitors of matrix metalloproteinases: three 6H-1,3,4-thiadiazines","Acta Crystallographica Section C","2001","57","5","593","596","10.1107/S0108270101002372","","","0.71073","MoKα","","0.06","0.049","","","","0.128","","","","","","1.011","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00","" "2011928","10.613","0.004","11.193","0.004","16.399","0.005","90","","102.48","0.03","90","","1902","1.2","173","2","173","2","","","","","","","","6","P 1 21 1","P 2yb","4","","(2S)-N-[5-(5-chloro-2-thienyl)-6H-1,3,4-thiadiazin-2-yl]-2- [(phenylsulfonyl)amino]propanamide","","- C16 H15 Cl N4 O3 S3 -","- C16 H15 Cl N4 O3 S3 -","- C64 H60 Cl4 N16 O12 S12 -","4","2","AV1070","Schröder, Jörg; Wenzel, Herbert; Stammler, Hans-Georg; Stammler, Anja; Neumann, Beate; Tschesche, Harald","Novel heterocyclic inhibitors of matrix metalloproteinases: three 6H-1,3,4-thiadiazines","Acta Crystallographica Section C","2001","57","5","593","596","10.1107/S0108270101002372","","","0.71073","MoKα","","0.107","0.061","","","","0.125","","","","","","1.016","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00","" "2011929","7.7492","0.0002","10.447","0.0003","14.3852","0.0003","90","","100.81","0.001","90","","1143.9","0.05","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","O-ethyl N-(2,3,4,6-tetra-O-acetyl-β-d-glucopyranosyl)carbamothiate","","- C17 H25 N O10 S -","- C17 H25 N O10 S -","- C34 H50 N2 O20 S2 -","2","1","BJ1013","Zhang, Shusheng; Wang, Zhongwei; Li, Ming; Jiao, Kui; Razak, Ibrahim Abdul; Shanmuga Sundara Raj, S.; Fun, Hoong-Kun","O-Ethyl and O-methyl N-(2,3,4,6-tetra-O-acetyl-β-D-glucopyranosyl)thiocarbamate","Acta Crystallographica Section C","2001","57","5","566","568","10.1107/S0108270101000609","","","0.71073","MoKα","","0.096","0.062","","","","0.168","","","","","","0.88","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00","" "2011930","7.3543","0.0002","10.2555","0.0001","14.0142","0.0004","90","","100.684","0.002","90","","1038.66","0.04","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","O-methyl N-(2,3,4,6-tetra-O-acetyl-β-d-glucopyranosyl)carbamothiate","","- C16 H23 N O10 S -","- C16 H23 N O10 S -","- C32 H46 N2 O20 S2 -","2","1","BJ1013","Zhang, Shusheng; Wang, Zhongwei; Li, Ming; Jiao, Kui; Razak, Ibrahim Abdul; Shanmuga Sundara Raj, S.; Fun, Hoong-Kun","O-Ethyl and O-methyl N-(2,3,4,6-tetra-O-acetyl-β-D-glucopyranosyl)thiocarbamate","Acta Crystallographica Section C","2001","57","5","566","568","10.1107/S0108270101000609","","","0.71073","MoKα","","0.126","0.072","","","","0.184","","","","","","0.86","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00","" "2011931","7.197","0.004","47.756","0.002","5.076","0.003","90","","90","","90","","1744.6","1.4","296.2","","296.2","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","1,17-Heptadecanediol","","","- C17 H36 O2 -","- C17 H36 O2 -","- C68 H144 O8 -","4","1","BJ1023","Nakamura, Naotake; Uno, Kenjiro; Ogawa, Yoshihiro","1,17-Heptadecanediol","Acta Crystallographica Section C","2001","57","5","585","586","10.1107/S010827010100213X","","","1.5418","CuKα","","0.0689","0.0435","","0.0615","","0.0541","","","1.362","","","1.459","","","","has coordinates","176435","2020-10-21","18:00:00","" "2011932","9.968","0.003","9.909","0.004","4.068","0.002","103.06","0.04","103.51","0.04","98.15","0.03","372.5","0.3","295","","295","","","","","","","","","4","P -1","-P 1","2","","","","- C5 H7 K O5 -","- C5 H7 K O5 -","- C10 H14 K2 O10 -","2","1","BJ1024","Kashino, Setsuo; Taka, Jun-ichiro; Fukunaga, Takeo; Ishida, Hiroyuki","Potassium hydrogen trans-glutaconate monohydrate at 295, 245 and 40K, and its rubidium analogue at 298K","Acta Crystallographica Section C","2001","57","5","549","552","10.1107/S0108270101003237","","","0.71073","MoKα","","0.045","0.043","","0.052","","0.051","","","1.7","","","1.74","","","","has coordinates","176435","2020-10-21","18:00:00","" "2011933","9.944","0.002","9.885","0.002","4.0314","0.0008","103.22","0.02","103.08","0.02","98.44","0.02","367.43","0.14","245","","245","","","","","","","","","4","P -1","-P 1","2","","","","- C5 H7 K O5 -","- C5 H7 K O5 -","- C10 H14 K2 O10 -","2","1","BJ1024","Kashino, Setsuo; Taka, Jun-ichiro; Fukunaga, Takeo; Ishida, Hiroyuki","Potassium hydrogen trans-glutaconate monohydrate at 295, 245 and 40K, and its rubidium analogue at 298K","Acta Crystallographica Section C","2001","57","5","549","552","10.1107/S0108270101003237","","","0.71073","MoKα","","","0.094","","","","0.107","","","","","","2.14","","","","has coordinates","176760","2020-10-21","18:00:00","" "2011934","9.927","0.002","9.866","0.002","4.0015","0.0008","103.4","0.01","102.77","0.02","98.73","0.02","363.2","0.14","40","","40","","","","","","","","","4","P -1","-P 1","2","","","","- C5 H7 K O5 -","- C5 H7 K O5 -","- C10 H14 K2 O10 -","2","1","BJ1024","Kashino, Setsuo; Taka, Jun-ichiro; Fukunaga, Takeo; Ishida, Hiroyuki","Potassium hydrogen trans-glutaconate monohydrate at 295, 245 and 40K, and its rubidium analogue at 298K","Acta Crystallographica Section C","2001","57","5","549","552","10.1107/S0108270101003237","","","0.71073","MoKα","","","0.069","","","","0.085","","","","","","2.01","","","","has coordinates","176760","2020-10-21","18:00:00","" "2011935","10.015","0.005","9.988","0.004","4.2432","0.0015","101.5","0.03","104.41","0.03","97.29","0.03","395.8","0.3","298","","298","","","","","","","","","4","P -1","-P 1","2","","","","- C5 H7 O5 Rb -","- C5 H6 O5 Rb -","- C10 H12 O10 Rb2 -","2","1","BJ1024","Kashino, Setsuo; Taka, Jun-ichiro; Fukunaga, Takeo; Ishida, Hiroyuki","Potassium hydrogen trans-glutaconate monohydrate at 295, 245 and 40K, and its rubidium analogue at 298K","Acta Crystallographica Section C","2001","57","5","549","552","10.1107/S0108270101003237","","","0.71073","MoKα","","0.057","0.054","","0.052","","0.052","","","1.567","","","1.59","","","","has coordinates","176435","2020-10-21","18:00:00","" "2011936","9.162","0.003","9.898","0.003","3.7672","0.0017","98.86","0.04","97.66","0.03","109.61","0.03","311.6","0.2","298","","298","","","","","","","","","4","P -1","-P 1","2","","","","- C12 H12 N2 O6 -","- C12 H12 N2 O6 -","- C12 H12 N2 O6 -","1","0.5","BK1582","Kashino, Setsuo; Fukunaga, Takeo; Izutsu, Hironobu; Miyashita, Shiho","Hydrogen-bonded complexes of 2-pyridone with centrosymmetric and non-centrosymmetric dicarboxylic acids","Acta Crystallographica Section C","2001","57","5","627","631","10.1107/S0108270101002839","","","0.71073","MoKα","","0.06","0.059","","0.1","","0.098","","","1.96","","","1.98","","","","has coordinates","176435","2020-10-21","18:00:00","" "2011937","9.824","0.003","5.572","0.0017","15.556","0.005","90","","101.31","0.03","90","","835","0.5","298","","298","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C16 H18 N2 O6 -","- C16 H18 N2 O6 -","- C32 H36 N4 O12 -","2","0.5","BK1582","Kashino, Setsuo; Fukunaga, Takeo; Izutsu, Hironobu; Miyashita, Shiho","Hydrogen-bonded complexes of 2-pyridone with centrosymmetric and non-centrosymmetric dicarboxylic acids","Acta Crystallographica Section C","2001","57","5","627","631","10.1107/S0108270101002839","","","0.71073","MoKα","","0.06","0.059","","0.106","","0.102","","","1.89","","","1.93","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00","" "2011938","7.889","0.003","16.839","0.01","8.288","0.002","90","","100.49","0.03","90","","1082.6","0.8","298","","298","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C10 H11 N O5 -","- C10 H11 N O5 -","- C40 H44 N4 O20 -","4","1","BK1582","Kashino, Setsuo; Fukunaga, Takeo; Izutsu, Hironobu; Miyashita, Shiho","Hydrogen-bonded complexes of 2-pyridone with centrosymmetric and non-centrosymmetric dicarboxylic acids","Acta Crystallographica Section C","2001","57","5","627","631","10.1107/S0108270101002839","","","0.71073","MoKα","","0.082","0.079","","0.096","","0.088","","","1.47","","","1.46","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00","" "2011939","8.528","0.005","20.668","0.008","6.5438","0.0015","90","","90","","90","","1153.4","0.9","295","","295","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C9 H13 N O8 -","- C9 H13 N O8 -","- C36 H52 N4 O32 -","4","1","BK1582","Kashino, Setsuo; Fukunaga, Takeo; Izutsu, Hironobu; Miyashita, Shiho","Hydrogen-bonded complexes of 2-pyridone with centrosymmetric and non-centrosymmetric dicarboxylic acids","Acta Crystallographica Section C","2001","57","5","627","631","10.1107/S0108270101002839","","","0.71073","MoKα","","0.047","0.044","","0.046","","0.044","","","1.8","","","1.81","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00","" "2011940","17.624","0.005","27.665","0.005","10.428","0.003","90","","94.52","0.02","90","","5069","2","296.2","","","","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C27 H21 Cl3 N2 P Re -","- C27 H21 Cl3 N2 P Re -","- C216 H168 Cl24 N16 P8 Re8 -","8","2","BK1586","Miyashita, Yoshitaro; Mahboob, Nagina; Tsuboi, Satoko; Yamada, Yasunori; Fujisawa, Kiyoshi; Okamoto, Ken-ichi","fac-Trichloro(quinolin-8-ylimido-N,N')(triphenylphosphine-P)rhenium(V)","Acta Crystallographica Section C","2001","57","5","558","559","10.1107/S0108270101003535","","","0.7107","MoKα","","","0.0483","","","","0.1265","","","","","","0.973","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00","" "2011941","9.7467","0.0012","14.2911","0.0018","9.2122","0.0011","94.091","0.011","95.769","0.011","70.809","0.009","1204.7","0.3","296","2","296","2","","","","","","","","3","P -1","-P 1","2","5,7-dimethyl-1,2-diphenyl-6-(4,5-benzo-1,3-dithiol-2-ylidene)- C~1~-homobasketane","5,7-dimethyl-1,2-diphenyl-6-(1,3-benzodithiol-2-ylidene) pentacyclo[5.4.0.0^2,5^.0^3,11^.0^4,8^]undecane","","- C32 H28 S2 -","- C32 H28 S2 -","- C64 H56 S4 -","2","1","BK1587","Tomura, Masaaki; Yamashita, Yoshiro","A molecule with a C~1~-homobasketane framework","Acta Crystallographica Section C","2001","57","5","619","620","10.1107/S0108270101002761","","","0.71069","MoKα","","0.117","0.042","","","","0.122","","","","","","0.998","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00","" "2011942","10.579","0.002","12.104","0.002","7.003","0.002","90","","102.26","0.03","90","","876.3","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Hydronium-5-amino-uracil-6-sulphonate hydrate","","","- C4 H9 N3 O7 S -","- C4 H9 N3 O7 S -","- C16 H36 N12 O28 S4 -","4","1","BM1438","Mazumder, G.; De, M.; Mazumder, S.K.; Mukhopadhyay, A.","Oxonium 5-aminouracil-6-sulfonate hydrate","Acta Crystallographica Section C","2001","57","5","562","563","10.1107/S010827010001742X","","","1.5418","CuKα","","0.0532","0.0517","","","","0.1385","","","","","","0.922","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00","" "2011943","8.147","0.0016","8.412","0.0017","11.149","0.002","98.46","0.03","108.69","0.03","96.93","0.03","704.3","0.3","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","5-acetyl-2-amino-6-methyl-4-(3-nitrophenyl)-4H-pyran-3-carbonitrile","","- C15 H13 N3 O4 -","- C15 H13 N3 O4 -","- C30 H26 N6 O8 -","2","1","BM1442","Vladimir N. Nesterov; Elena A. Viltchinskaia","5-Acetyl-2-amino-6-methyl-4-(3-nitrophenyl)-4H-pyran-3-carbonitrile and 2-amino-5-ethoxycarbonyl-6-methyl-4-(3-nitrophenyl)-4H-pyrano-3-carbonitrile","Acta Crystallographica Section C","2001","57","5","616","618","10.1107/S0108270101002682","","","0.71073","MoKα","","0.1083","0.0552","","","","0.1687","","","","","","1.024","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00","" "2011944","8.455","0.001","8.475","0.001","12.073","0.002","83.05","0.02","71.33","0.02","76.35","0.02","795.5","0.2","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","ethyl 6-amino-5-cyano-2-methyl-4-(3-nitrophenyl)-4H-pyrano-3-carboxylate","","- C16 H15 N3 O5 -","- C16 H15 N3 O5 -","- C32 H30 N6 O10 -","2","1","BM1442","Vladimir N. Nesterov; Elena A. Viltchinskaia","5-Acetyl-2-amino-6-methyl-4-(3-nitrophenyl)-4H-pyran-3-carbonitrile and 2-amino-5-ethoxycarbonyl-6-methyl-4-(3-nitrophenyl)-4H-pyrano-3-carbonitrile","Acta Crystallographica Section C","2001","57","5","616","618","10.1107/S0108270101002682","","","0.71073","MoKα","","0.1126","0.0579","","","","0.1537","","","","","","1.028","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00","" "2011945","18.97","0.004","18.97","0.004","12.414","0.005","90","","90","","120","","3868.8","1.9","294","","","","","","","","","","","5","P 62 2 2","P 62 2 (0 0 4)","180","","","","- B H32 K5 O56 W12 -","- B K2 O54 W12 -","- B3 K6 O162 W36 -","3","0.25","BR1308","Fletcher, Heath; Allen, Christine C.; Burns, Robert C.; Craig, Donald C.","Pentapotassium dodecatungstoborate(III) hexadecahydrate","Acta Crystallographica Section C","2001","57","5","505","507","10.1107/S0108270101002840","","","0.71073","MoKα","","","0.036","","","","0.048","","","","","","1.54","","","","has coordinates","176432","2020-10-21","18:00:00","" "2011946","13.097","0.0009","6.531","0.0005","10.6873","0.0006","90","","90","","90","","914.15","0.11","293","","293","","","","","","","","","5","P n a n","-P 2n 2bc","52","","","","- Ge0.32 K O5 Sb Si0.68 -","- Ge0.324 K0.999 O5 Sb Si0.675 -","- Ge2.592 K7.992 O40 Sb8 Si5.4 -","8","1","BR1312","Norberg, Stefan T.; Svensson, Göran; Albertsson, Jörgen","KSbO(Ge~0.32~Si~0.68~)O~4~, a KTP isomorph","Acta Crystallographica Section C","2001","57","5","510","512","10.1107/S0108270101003547","","","0.71073","MoKα","","0.123","0.046","","0.168","","0.168","","","1","","","1","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00","" "2011947","28.6498","0.0004","10.67","0.0002","18.2997","0.0004","90","","121.524","0.001","90","","4768.53","0.16","180","2","180","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","[8-(5-iodo-n-hexyl)-5-(pentahapto-pentamethylcyclopentadienyl)- arachno-3-rhoda-7,8-dithia-arachno-undecaborane]","","- C15 H34 B8 I Rh S2 -","- C15 H34 B8 I Rh S2 -","- C120 H272 B64 I8 Rh8 S16 -","8","1","BR1313","Macías, Ramón; Barrett, Simon A; Bould, Jonathan; Dörfler, Udo; Holub, Josef; Kennedy, John D.; Thornton-Pett, Mark; Bohumil Štíbr","Ten-vertex rhodadithiaborane chemistry: [8-{I(CH~2~)~5~}-3-(η^5^-C~5~Me~5~)-arachno-3,7,8-RhS~2~B~8~H~9~]","Acta Crystallographica Section C","2001","57","5","520","522","10.1107/S010827010100244X","","","0.71069","MoKα","","0.0615","0.0578","","","","0.1622","","","","","","1.094","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00","" "2011948","7.3566","0.0008","7.1341","0.0009","13.793","0.0013","90","","114.28","0.02","90","","659.86","0.16","293","2","293","2","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","","Rubidium antimonide","","- Rb Sb -","- Rb Sb -","- Rb8 Sb8 -","8","2","BR1316","Hirschle, Christian; Emmerling, Franziska; Röhr, Caroline","β-Rubidium antimonide, Rb~4~Sb~4~","Acta Crystallographica Section C","2001","57","5","501","502","10.1107/S0108270101002451","","","0.7107","MoKα","","0.1238","0.0481","","","","0.127","","","","","","1.022","","","","has coordinates,has Fobs","281689","2023-03-07","09:04:01","" "2011949","11.3717","0.0006","11.3717","0.0006","36.739","0.003","90","","90","","120","","4114.4","0.5","293","2","293","2","","","","","","","","3","P 31 2 1","P 31 2""","152","","3α-hydroxytirucalla-7,24-diene-21-oic acid","","- C30 H48 O3 -","- C30 H48 O3 -","- C180 H288 O18 -","6","1","DA1159","Mora, Asiloé J.; Delgado, Gerzon; Delgado, Graciela Díaz de; Usubillaga, Alfredo; Khouri, Nancy; Bahsas, Ali","3α-Hydroxytirucalla-7,24-dien-21-oic acid: a triterpene from Protium crenatum Sandwith","Acta Crystallographica Section C","2001","57","5","638","640","10.1107/S0108270101003316","","","0.71073","MoKα","","0.101","0.049","","","","0.14","","","","","","0.901","","","","has coordinates","201957","2020-10-21","18:00:00","" "2011950","10.552","0.005","15.287","0.002","16.072","0.009","90","","96.6","0.05","90","","2575.4","1.9","153","2","153","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C27 H15 B F15 N O -","- C27 H15 B F15 N O -","- C108 H60 B4 F60 N4 O4 -","4","1","DA1161","Stibrany, Robert T.; Brant, Patrick","Dimethyl(2-methylphenyl)ammonium hydroxotris(pentafluorophenyl)borate","Acta Crystallographica Section C","2001","57","5","644","645","10.1107/S0108270101003328","","","1.5418","CuKα","","0.0708","0.0444","","","","0.1178","","","","","","1.05","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00","" "2011951","7.6541","0.0002","11.0918","0.0003","17.599","0.0005","90","","90","","90","","1494.12","0.07","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","L-Phenylalanyl-L-alanine dihydrate","","- C12 H20 N2 O5 -","- C12 H20 N2 O5 -","- C48 H80 N8 O20 -","4","1","DA1163","Görbitz, Carl Henrik","L-Phenylalanyl-L-alanine dihydrate","Acta Crystallographica Section C","2001","57","5","575","576","10.1107/S010827010100155X","","","0.71073","MoKα","","0.0444","0.0348","","","","0.0895","","","","","","1.022","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00","" "2011952","8.596","0.004","9.15","0.005","10.724","0.005","92.528","0.009","101.917","0.009","99.127","0.009","812.3","0.7","153","2","153","2","","","","","","","","6","P -1","-P 1","2","","trans-bis(hexafluoroantimonato-F)(phthalocyaninato- κ^4^N^29^,N^30^,N^31^,N^32^)copper(II)","","- C32 H16 Cu F12 N8 Sb2 -","- C32 H16 Cu F12 N8 Sb2 -","- C32 H16 Cu F12 N8 Sb2 -","1","0.5","DA1164","Gardberg, Anna S.; Ibers, James A.","trans-Bis(hexafluoroantimonato)(phthalocyaninato)copper(II)","Acta Crystallographica Section C","2001","57","5","528","529","10.1107/S0108270101001561","","","0.71073","MoKα","","0.114","0.064","","","","0.15","","","","","","1.343","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00","" "2011953","10.474","0.002","13.221","0.002","20.288","0.003","90","","91.33","0.01","90","","2808.7","0.8","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","[Ni(rac-Me6[14]aneN4)(nicotinato)]ClO4","(Nicotinato-O,O')(C-rac-5,5,7,12,12,14-hexamethyl-1,4,8,11- tetraazacyclotetradecane-N,N',N'',N''')nickel(II) perchlorate","","- C22 H40 Cl N5 Ni O6 -","- C22 H40 Cl N5 Ni O6 -","- C88 H160 Cl4 N20 Ni4 O24 -","4","1","DA1165","Basiuk, Elena V.; Basiuk, Vladimir A.; Hernández-Ortega, Simón; Martínez-García, Marcos; Saniger-Blesa, José-Manuel","(C-rac-5,5,7,12,12,14-Hexamethyl-1,4,8,11-tetraazacyclotetradecane-κ^4^N)(nicotinato-O,O')nickel(II) perchlorate","Acta Crystallographica Section C","2001","57","5","553","555","10.1107/S010827010100333X","","","0.71073","MoKα","","0.087","0.046","","","","0.1","","","","","","0.959","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00","" "2011954","12.313","0.002","10.674","0.005","19.535","0.002","90","","90","","90","","2567.5","1.3","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","7-phenyl-1-oxa-4-thiaspiro[4.5]decan-7-ol","7-phenyl-1-oxa-4-thiaspiro[4.5]decan-7-ol","","- C14 H18 O2 S -","- C14 H18 O2 S -","- C112 H144 O16 S8 -","8","1","DA1168","Parvez, Masood; Senthil, Govindaraji; Yadav, Veejendra K.","7-Phenyl-1-oxa-4-thiaspiro[4.5]decan-7-ol stereoisomers","Acta Crystallographica Section C","2001","57","5","577","579","10.1107/S0108270101001573","","","1.54178","CuKα","","0.081","0.052","","","","0.15","","","","","","1.03","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00","" "2011955","22.136","0.008","10.144","0.002","24.923","0.006","90","","114.17","0.02","90","","5106","3","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","7-phenyl-1-oxa-4-thiaspiro[4.5]decan-7-ol","7-phenyl-1-oxa-4-thiaspiro[4.5]decan-7-ol","","- C14 H18 O2 S -","- C14 H18 O2 S -","- C224 H288 O32 S16 -","16","2","DA1168","Parvez, Masood; Senthil, Govindaraji; Yadav, Veejendra K.","7-Phenyl-1-oxa-4-thiaspiro[4.5]decan-7-ol stereoisomers","Acta Crystallographica Section C","2001","57","5","577","579","10.1107/S0108270101001573","","","1.54178","CuKα","","0.075","0.044","","","","0.124","","","","","","1.03","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00","" "2011956","5.8759","0.0006","6.9198","0.0007","22.262","0.002","90","","90.08","0.002","90","","905.17","0.15","153","2","153","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","gabapentin","1-(aminomethyl)cyclohexaneacetic acid","","- C9 H17 N O2 -","- C9 H17 N O2 -","- C36 H68 N4 O8 -","4","1","DA1172","Ibers, James A.","Gabapentin and gabapentin monohydrate","Acta Crystallographica Section C","2001","57","5","641","643","10.1107/S0108270101003341","","","0.71073","MoKα","","0.0664","0.0464","","","","0.1182","","","","","","0.981","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00","" "2011957","14.567","0.003","9.2153","0.0018","7.6503","0.0015","90","","93.375","0.003","90","","1025.2","0.4","153","2","153","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","gabapentin monohydrate","1-(aminomethyl)cyclohexaneacetic acid monohydrate","","- C9 H19 N O3 -","- C9 H19 N O3 -","- C36 H76 N4 O12 -","4","1","DA1172","Ibers, James A.","Gabapentin and gabapentin monohydrate","Acta Crystallographica Section C","2001","57","5","641","643","10.1107/S0108270101003341","","","0.71073","MoKα","","0.0997","0.0573","","","","0.1329","","","","","","0.974","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00","" "2011958","8.0796","0.0004","10.197","0.0007","13.7534","0.0009","90","","90","","90","","1133.11","0.12","293","","","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","9,10-dimethoxy-11-oxatricyclo[6.2.1.0^2,7^]undeca-4,9-diene-3,6-diol","","- C12 H16 O5 -","- C12 H16 O5 -","- C48 H64 O20 -","4","1","DA1175","Zukerman-Schpector, J.; Caracelli, I.; Vega, Mauricio; Constantino, Mauricio Gomes; Beatriz, Adilson; da Silva, Gil Valdo","Two polycyclic compounds derived from a Diels‒Alder reaction","Acta Crystallographica Section C","2001","57","5","646","648","10.1107/S0108270101003365","","","0.71073","MoKα","","0.034","0.028","","0.073","","0.071","","","1.054","","","1.054","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00","" "2011959","7.545","0.001","10.75","0.001","27.336","0.003","90","","94.69","0.02","90","","2209.8","0.4","293","","","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","5,6-dimethoxy-3,7-dioxatetracyclo[6.4.0.0^2,6^0^4,12^]dodec-9-en-11-ol","","- C12 H16 O5 -","- C12 H16 O5 -","- C96 H128 O40 -","8","1","DA1175","Zukerman-Schpector, J.; Caracelli, I.; Vega, Mauricio; Constantino, Mauricio Gomes; Beatriz, Adilson; da Silva, Gil Valdo","Two polycyclic compounds derived from a Diels‒Alder reaction","Acta Crystallographica Section C","2001","57","5","646","648","10.1107/S0108270101003365","","","0.71073","MoKα","","0.061","0.04","","0.111","","0.1","","","1.055","","","1.055","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00","" "2011960","10.556","0.004","9.191","0.001","12.536","0.006","90","","114.28","0.05","90","","1108.7","0.8","293","","293","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C18 H24 N2 O11 -","- C18 H24 N2 O11 -","- C36 H48 N4 O22 -","2","1","DA1176","Renaudet, Olivier; Dumy, Pascal; Philouze, Christian; Averbuch-Pouchot, Marie-Thérèse","N-(2-Acetamido-3,4,6-tri-O-acetyl-2-deoxy-α-D-galactopyranosyloxy)succinimide","Acta Crystallographica Section C","2001","57","5","649","650","10.1107/S0108270101003377","","","0.71073","MoKα","","0.069","0.069","","0.055","","0.055","","","1.939","","","1.939","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00","" "2011961","7.995","0.002","9.261","0.002","18.062","0.002","98.29","0.01","94.47","0.01","101.21","0.01","1290.4","0.5","293","2","293","2","","","","","","","","5","P 1","P 1","1","","","","- C10 H13.5 N4 O3.75 S -","- C10 H13.5 N4 O3.75 S -","- C40 H54 N16 O15 S4 -","4","4","DE1134","Mazumder, G.; De, M.; Mazumder, S. K.; Mukhopadhyay, A.; Das, A. K.; Van Aerschot, A.","9(R)-[6(R)-Hydroxymethyl-1-oxa-4-thiacyclohexan-2-yl]hypoxanthine‒water (4/3), a nucleoside analogue","Acta Crystallographica Section C","2001","57","5","560","561","10.1107/S0108270100010799","","","0.71069","MoKα","","0.0725","0.0715","","0.1545","0.1535","","","","0.958","1.135","1.135","","","","","has coordinates","201957","2020-10-21","18:00:00","" "2011962","10.8871","0.0002","13.4187","0.0003","17.9641","0.0004","68.7915","0.0012","83.8241","0.001","87.0651","0.0011","2432.23","0.09","200","2","200","2","","","","","","","","6","P -1","-P 1","2","","Chloro(2-pyridinecarboxaldehyde)(2,2':6',2""-terpyridine)ruthenium(II) Perchlorate, Chloro(2-pyridinecarboxylic acid)(2,2':6',2""-terpyridine)ruthenium(II) Perchlorate, Chloroform, Hydrate (1.8/0.2/1/1)","","- C43 H35 Cl7 N8 O11.2 Ru2 -","- C43 H34.799 Cl7 N8 O11.201 Ru2 -","- C86 H69.598 Cl14 N16 O22.402 Ru4 -","2","1","FG1610","Kelson, Eric P.; Phengsy, Proma P.; Arif, Atta M.","A chloro(2-pyridinecarboxaldehyde)(2,2':6',2''-terpyridine)ruthenium(II) complex","Acta Crystallographica Section C","2001","57","5","517","519","10.1107/S0108270101001305","","","0.71073","MoKα","","0.0867","0.0486","","","","0.1162","","","","","","1.017","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00","" "2011963","13.144","0.003","7.75","0.002","22.415","0.005","90","","100.87","0.01","90","","2242.4","0.9","293","2","293","2","","","","","","","","3","C 1 2 1","C 2y","5","","(-)-3,6-Dioxo-5β-cholanic acid","","- C24 H37 O4.5 -","- C24 H36.5 O4.5 -","- C96 H146 O18 -","4","1","FR1302","Thompson, Hugh W.; Lalancette, Roger A.; Brunskill, Andrew P. J.","({-})-3,6-Dioxo-5β-cholanic acid: hydrogen bonding in the hemihydrate of a steroidal diketo acid","Acta Crystallographica Section C","2001","57","5","632","633","10.1107/S0108270101002980","","","0.71073","MoKα","","0.113","0.05","","","","0.109","","","","","","1.02","","","","has coordinates","176760","2020-10-21","18:00:00","" "2011964","9.1947","0.0013","11.24","0.003","13.1995","0.0013","95.874","0.013","91.525","0.01","102.63","0.02","1322.5","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","Rhodamine-6g","9-[2-(ethoxycarbonyl)phenyl]-3,6-bis(ethylamino)- 2,7-dimethylxanthylium chloride monohydrate","","- C28 H33 Cl N2 O4 -","- C28 H31 Cl N2 O4 -","- C56 H62 Cl2 N4 O8 -","2","1","FR1307","Adhikasavalu, D. N.; Mastropaolo, Donald; Camerman, Arthur; Camerman, Norman","Two rhodamine derivatives: 9-[2-(ethoxycarbonyl)phenyl]-3,6-bis(ethylamino)-2,7-dimethylxanthylium chloride monohydrate and 3,6-diamino-9-[2-(methoxycarbonyl)phenyl]xanthylium chloride trihydrate","Acta Crystallographica Section C","2001","57","5","657","659","10.1107/S0108270101003675","","","0.71073","MoKα","","0.0937","0.067","","","","0.217","","","","","","1.032","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00","" "2011965","13.5624","0.0014","21.468","0.003","15.427","0.003","90","","95.409","0.012","90","","4471.7","1.2","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","Rhodamine-123","9-[2-(methoxycarbonyl)phenyl]-3,6-diamio- xanthylium chloride trihydrate","","- C21 H23 Cl N2 O6 -","- C21 H21 Cl N2 O6 -","- C168 H168 Cl8 N16 O48 -","8","1","FR1307","Adhikasavalu, D. N.; Mastropaolo, Donald; Camerman, Arthur; Camerman, Norman","Two rhodamine derivatives: 9-[2-(ethoxycarbonyl)phenyl]-3,6-bis(ethylamino)-2,7-dimethylxanthylium chloride monohydrate and 3,6-diamino-9-[2-(methoxycarbonyl)phenyl]xanthylium chloride trihydrate","Acta Crystallographica Section C","2001","57","5","657","659","10.1107/S0108270101003675","","","0.71073","MoKα","","0.1202","0.0715","","","","0.2683","","","","","","1.045","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00","" "2011966","7.1995","0.0005","12.6309","0.0014","3.7913","0.0003","90.805","0.009","99.905","0.007","94.116","0.008","338.63","0.05","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C8 H5 N O2 -","- C8 H5 N O2 -","- C16 H10 N2 O4 -","2","1","FR1319","Kubo, Kanji; Yamamoto, Emi; Mori, Akira","5-Cyanotropolone and 5-nitrotropolone","Acta Crystallographica Section C","2001","57","5","611","613","10.1107/S0108270101002463","","","0.71073","MoKα","","0.0502","0.0361","","","","0.1063","","","","","","1.033","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00","" "2011967","7.5701","0.001","14.496","0.003","6.4945","0.0007","90.751","0.014","104.796","0.008","94.41","0.013","686.61","0.19","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C7 H5 N O4 -","- C7 H5 N O4 -","- C28 H20 N4 O16 -","4","2","FR1319","Kubo, Kanji; Yamamoto, Emi; Mori, Akira","5-Cyanotropolone and 5-nitrotropolone","Acta Crystallographica Section C","2001","57","5","611","613","10.1107/S0108270101002463","","","0.71073","MoKα","","0.0616","0.0388","","","","0.1191","","","","","","1.026","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00","" "2011968","10.221","0.002","12.325","0.003","3.7951","0.0009","97.24","0.02","98.49","0.02","67.649","0.018","436.04","0.18","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","bis(4-pyridinium)acetylene bis(hydrogen squarate)","","- C20 H12 N2 O8 -","- C20 H12 N2 O8 -","- C20 H12 N2 O8 -","1","0.5","GD1134","Zaman, Md. Badruz; Tomura, Masaaki; Yamashita, Yoshiro","Linear hydrogen-bonded molecular tapes in the cocrystals of squaric acid with 4,4'-dipyridylacetylene and 1,2-bis(4-pyridyl)ethylene","Acta Crystallographica Section C","2001","57","5","621","624","10.1107/S0108270101003833","","","0.71069","MoKα","","0.197","0.045","","","","0.141","","","","","","0.915","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00","" "2011969","10.2606","0.0009","12.2942","0.0017","3.7749","0.0013","97.845","0.017","98.444","0.013","67.259","0.008","432.75","0.17","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","1,2-bis(4-pyridinium)ethylene bis(hydrogen squarate)","","- C20 H14 N2 O8 -","- C20 H14 N2 O8 -","- C20 H14 N2 O8 -","1","0.5","GD1134","Zaman, Md. Badruz; Tomura, Masaaki; Yamashita, Yoshiro","Linear hydrogen-bonded molecular tapes in the cocrystals of squaric acid with 4,4'-dipyridylacetylene and 1,2-bis(4-pyridyl)ethylene","Acta Crystallographica Section C","2001","57","5","621","624","10.1107/S0108270101003833","","","1.54178","CuKα","","0.055","0.044","","","","0.133","","","","","","1.018","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00","" "2011970","10.702","0.002","10.702","0.002","8.703","0.002","90","","90","","120","","863.2","0.3","10","2","10","2","","","","","","","","5","P 63","P 6c","173","","","","- H4 N O4 P Zn -","- H4 N O4 P Zn -","- H32 N8 O32 P8 Zn8 -","8","1.33333","GD1138","Harrison, William T. A.; Sobolev, Alexandr N.; Phillips, Mark L. F.","Hexagonal ammonium zinc phosphate, (NH~4~)ZnPO~4~, at 10K","Acta Crystallographica Section C","2001","57","5","508","509","10.1107/S0108270101002992","","","0.71073","MoKα","","0.0128","0.0125","","","","0.0312","","","","","","1.146","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00","" "2011971","12.4526","0.0004","12.6673","0.0005","12.6426","0.0005","90","","114.39","0.03","90","","1816.3","0.4","150","1","150","1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C45 H23 F8 Fe N4 O -","- C45 H23 F8 Fe N4 O -","- C90 H46 F16 Fe2 N8 O2 -","2","0.5","GG1037","Kim, Youngmee; Nam, Wonwoo; Lim, Mi Hee; Jin, Sook-Won; Lough, Alan J.; Kim, Sung-Jin","Methoxy[meso-5,10,15,20-tetrakis(2,6-difluorophenyl)porphyrinato]iron(III), [Fe(TDFPP)(OCH~3~)]","Acta Crystallographica Section C","2001","57","5","556","557","10.1107/S0108270101003006","","","0.71073","MoKα","","0.12","0.079","","","","0.207","","","","","","1.067","","","","has coordinates,has disorder","176760","2020-10-21","18:00:00","" "2011972","6.94","0.001","17.755","0.001","13.829","0.002","90","","104.18","0.01","90","","1652.1","0.4","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","protopine hydrochloride","5,6,8,14-tetrahydro-14a-hydroxy-7-methyl-1,3-benzodioxolo[5,6-a] -1,3-benzodioxolo[4,5-g]quinolizinium chloride","","- C20 H20 Cl N O5 -","- C20 H20 Cl N O5 -","- C80 H80 Cl4 N4 O20 -","4","1","GG1038","Dostál, Jiří; Žák, Zdirad; Nečas, Marek; Slavík, Jiří; Potáček, Milan","Protopine hydrochloride","Acta Crystallographica Section C","2001","57","5","651","652","10.1107/S0108270101003249","","","0.71073","MoKα","","0.046","0.039","","","","0.102","","","","","","1.16","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00","" "2011973","6.8189","0.0002","16.1505","0.0004","9.6257","0.0003","90","","100.761","0.0013","90","","1041.42","0.05","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Methyl 4-amino-1,3-dioxo-2,3-dihydro-6-methoxy-1H- pyrrolo[3,4-c]pyridine-7-carboxylate","","- C10 H9 N3 O5 -","- C10 H9 N3 O5 -","- C40 H36 N12 O20 -","4","1","GG1042","Low, John N.; Cobo, Justo; Garcìa, Celeste; Melguizo, Manuel; Nogueras, Manuel; Sánchez, Adolfo; Glidewell, Christopher","Methyl 4-amino-2,3-dihydro-6-methoxy-1,3-dioxo-1H-pyrrolo[3,4-c]pyridine-7-carboxylate forms hydrogen-bonded sheets built from R~2~^2^(8) and R~6~^6^(42) rings","Acta Crystallographica Section C","2001","57","5","597","599","10.1107/S0108270101002359","","","0.71073","MoKα","","0.052","0.041","","","","0.113","","","","","","1.05","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00","" "2011974","21.4179","0.0006","11.1466","0.0002","14.9649","0.0003","90","","133.428","0.0006","90","","2594.61","0.1","150","2","150","2","","","","","","","","4","C 1 2 1","C 2y","5","","N-(2-amino-1,6-dihydro-5-nitroso-6-oxopyrimidin-4-yl)-L- isoleucine‒water (4/1)","","- C20 H31 N10 O8.5 -","- C20 H31 N10 O8.5 -","- C80 H124 N40 O34 -","4","1","GG1043","Low, John N.; Cannon, Debbie; Quesada, Antonio; Marchal, Antonio; Melguizo, Manuel; Nogueras, Manuel; Sánchez, Adolfo; Glidewell, Christopher","N-(2-Amino-1,6-dihydro-5-nitroso-6-oxopyrimidin-4-yl)-L-isoleucine‒water (4/1): interplay of molecular and supramolecular structures","Acta Crystallographica Section C","2001","57","5","604","607","10.1107/S0108270101002475","","","0.71073","MoKα","","0.06","0.042","","","","0.098","","","","","","1.04","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00","" "2011975","4.0413","0.0002","16.6702","0.001","14.0749","0.0008","90","","97.183","0.001","90","","940.77","0.09","295","2","295","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Methyl 2,4-dinitrobenzenesulfenate","","- C7 H6 N2 O5 S -","- C7 H6 N2 O5 S -","- C28 H24 N8 O20 S4 -","4","1","GG1044","Cannon, Debbie; Low, John N.; McWilliam, Susan A.; Skakle, Janet M. S.; Wardell, James L.; Glidewell, Christopher","Soft C—H···O hydrogen bonds in methyl 2,4-dinitrobenzenesulfenate: sheets built from R~2~^2^(10) and R~6~^6^(42) rings","Acta Crystallographica Section C","2001","57","5","600","603","10.1107/S0108270101002852","","","0.71073","MoKα","","0.087","0.049","","","","0.141","","","","","","0.9","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00","" "2011976","8.8926","0.0002","10.2539","0.0002","10.85","0.0004","62.2233","0.001","82.4797","0.001","69.105","0.0014","817.03","0.04","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","Methyl 7-hydroxy-1,3-dimethyl-2,4-dioxo-1,2,3,4-tetrahydropteridine-6-carboxylate‒ dimethyl sulfoxide (1/1)","","- C13 H18 N4 O6 S -","- C13 H18 N4 O6 S -","- C26 H36 N8 O12 S2 -","2","1","GG1046","Cannon, Debbie; Low, John N.; Cobo, Justo; Molina, Sebastián; Nogueras, Manuel; Sánchez, Adolfo; Glidewell, Christopher","Methyl 7-hydroxy-1,3-dimethyl-2,4-dioxo-1,2,3,4-tetrahydropteridine-6-carboxylate‒dimethyl sulfoxide (1/1) forms chains containing O—H···O and C—H···O hydrogen bonds and aromatic π‒π-stacking interactions","Acta Crystallographica Section C","2001","57","5","608","610","10.1107/S0108270101003250","","","0.71073","MoKα","","0.061","0.045","","","","0.121","","","","","","1.05","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00","" "2011977","12.4228","0.0011","12.63","0.003","5.101","0.003","90","","90","","90","","800.3","0.5","293","2","293","2","","","","","","","","3","P b a m","-P 2 2ab","55","","tribarium diantimonide oxide","","- Ba3 O Sb2 -","- Ba3 O Sb2 -","- Ba12 O4 Sb8 -","4","0.5","IZ1006","Boss, Michael; Pickhard, Frank; Zumdick, Markus; Röhr, Caroline","Barium antimonide oxide, Ba~3~Sb~2~O","Acta Crystallographica Section C","2001","57","5","503","504","10.1107/S0108270101002785","","","0.7107","MoKα","","0.039","0.034","","","","0.078","","","","","","1.228","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00","" "2011978","13.1476","0.0015","22.6558","0.0016","16.9355","0.0019","90","","90.221","0.014","90","","5044.5","0.9","110","2","110","2","","","","","","","","5","P 1 21 1","P 2yb","4","","hexa-μ~2~-isopropoxy-1:2κ^4^O;1:3κ^4^O;1:4κ^4^O-hexaisopropoxy- 2κ^2^O,3κ^2^O,4κ^2^O-trialuminium(III)neodymium(III)","","- C36 H84 Al3 Nd O12 -","- C36 H84 Al3 Nd O12 -","- C144 H336 Al12 Nd4 O48 -","4","2","JZ1432","Moustiakimov, Marat; Kritikos, Mikael; Westin, Gunnar","Nd[Al(^i^PrO)~4~]~3~, a novel tetranuclear alkoxide forming merohedrally twinned crystals","Acta Crystallographica Section C","2001","57","5","515","516","10.1107/S0108270101000750","","","0.71073","MoKα","","0.039","0.031","","","","0.069","","","","","","1.034","","","","has coordinates,has disorder,has Fobs","176432","2020-10-21","18:00:00","" "2011979","9.509","0.001","12.824","0.001","12.635","0.001","90","","99.78","0.008","90","","1518.4","0.2","296.2","","296.2","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C6 H22 Co N7 O6 S -","- C6 H22 Co N7 O6 S -","- C24 H88 Co4 N28 O24 S4 -","4","1","JZ1442","Konno, Takumi; Yoshimura, Takashi; Hirotsu, Masakazu","(2-Aminoethanethiolato-N,S)bis(ethylenediamine-N,N')cobalt(III) dinitrate","Acta Crystallographica Section C","2001","57","5","538","539","10.1107/S0108270101002773","","","0.7107","MoKα","","0.039","0.031","","","","0.041","","","","","","1.11","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00","" "2011980","6.959","0.001","8.564","0.001","18.734","0.003","90","","90","","90","","1116.5","0.3","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","8-Aza-1,3dideaza-2'-deoxyadenosine","4-amino-1-(2-deoxy-β-D-erythro-pentofuranosyl) -1H-benzotriazole","","- C11 H14 N4 O3 -","- C11 H14 N4 O3 -","- C44 H56 N16 O12 -","4","1","JZ1443","Seela, Frank; He, Yang; Reuter, Hans; Heithoff, Eva-Maria","The high-anti conformation of 8-aza-1,3-dideaza-2'-deoxyadenosine","Acta Crystallographica Section C","2001","57","5","660","662","10.1107/S0108270101004152","","","0.71073","MoKα","","0.0455","0.0412","","","","0.1126","","","","","","1.098","","","","has coordinates,has disorder","176760","2020-10-21","18:00:00","" "2011981","16.116","0.0001","12.8286","0.0002","17.593","0.0003","90","","90","","90","","3637.28","0.09","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","Diphenyldithiophosphinato-tetracarbonylrhenium(I)","","- C16 H10 O4 P Re S2 -","- C16 H10 O4 P Re S2 -","- C128 H80 O32 P8 Re8 S16 -","8","1","JZ1448","García Fontán, Soledad; Lamas Castro, Elvira; Rodríguez Seoane, Pilar; Vázquez-López, Ezequiel M.","Tetracarbonyl(diphenyldithiophosphinato-S,S')rhenium(I)","Acta Crystallographica Section C","2001","57","5","532","533","10.1107/S0108270101002190","","","0.71073","MoKα","","0.0592","0.0412","","","","0.0976","","","","","","0.977","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00","" "2011982","8.3162","0.0002","11.2384","0.0003","20.408","0.0005","90","","90","","90","","1907.35","0.08","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","N-(1-Phenylsulfonylindol-2-yl-methyl)-N-methylaniline","","- C22 H20 N2 O2 S -","- C22 H20 N2 O2 S -","- C88 H80 N8 O8 S4 -","4","1","NA1496","Sankaranarayanan, R.; Velmurugan, D.; Shanmuga Sundara Raj, S.; Fun, Hoong-Kun; Narasinga Rao, S.; Kannadasan, S.; Srinivasan, P.C.","N-Methyl-N-(1-phenylsulfonylindol-2-ylmethyl)aniline","Acta Crystallographica Section C","2001","57","5","569","571","10.1107/S010827010100097X","","","0.71073","MoKα","","0.0644","0.0405","","","","0.1186","","","","","","0.91","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00","" "2011983","10.505","0.003","14.213","0.002","18.822","0.003","90","","92.77","0.02","90","","2807","1","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","trans diaqua [tetrakis(3,5-dimethylopyrazole- N^2^)] nickel (II) dichloride","","- C20 H36 Cl2 N8 Ni O2 -","- C20 H36 Cl2 N8 Ni O2 -","- C80 H144 Cl8 N32 Ni4 O8 -","4","0.5","NA1497","Małecka, Magdalena; Rybarczyk, Agnieszka; Olszak, Tomasz A.; Malinowska, Katarzyna; Ochocki, Justyn","trans-Diaquatetrakis(3,5-dimethylpyrazole-N^2^)nickel(II) dichloride","Acta Crystallographica Section C","2001","57","5","513","514","10.1107/S0108270100020746","","","0.71069","MoKα","","0.1222","0.0567","","","","0.1706","","","","","","1.05","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00","" "2011984","11.1188","0.0001","7.6413","0.0001","27.4773","0.0001","90","","99.065","0.001","90","","2305.37","0.04","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","3,3'-[2,2'-(ethylenedioxy)dibenzylidene]bis(S-methyl dithiocarbazate) nickel(II)","","- C20 H20 N4 Ni O2 S4 -","- C20 H20 N4 Ni O2 S4 -","- C80 H80 N16 Ni4 O8 S16 -","4","1","NA1503","Wu, Jie-Ying; Chantrapromma, Suchada; Chen, Dong-Wen; Tian, Yu-Peng; Yang, Ping; Fun, Hoong-Kun","{3,3'-[2,2'-(Ethylenedioxy)dibenzylidene]bis(S-methyl dithiocarbazate)}nickel(II)","Acta Crystallographica Section C","2001","57","5","523","525","10.1107/S0108270101001585","","","0.71073","MoKα","","0.044","0.033","","","","0.08","","","","","","1.05","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00","" "2011985","7.444","0.0004","7.4642","0.0004","13.5136","0.0006","80.3701","0.0017","76.0568","0.0018","68.6413","0.0014","676.06","0.06","150","2","150","","","","","","","","","5","P -1","-P 1","2","","Aqua-[N-(6-amino-3,4-dihydro-3-methyl-5-nitroso-4-oxopyrimidin-2-yl)glycyl- glycinato]potassium","","- C9 H13 K N6 O6 -","- C9 H13 K N6 O6 -","- C18 H26 K2 N12 O12 -","2","1","NA1505","Low, John N.; Arranz, Paloma; Cobo, Justo; Fontecha, M. Angeles; Godino, M. Luz; López, Rafael; Glidewell, Christopher","[N-(6-Amino-3,4-dihydro-3-methyl-5-nitroso-4-oxopyrimidin-2-yl)glycylglycinato]aquapotassium, a three-dimensional coordination polymer","Acta Crystallographica Section C","2001","57","5","534","537","10.1107/S0108270101002670","","","0.71073","MoKα","","0.067","0.045","","","","0.113","","","","","","1.072","","","","has coordinates,has disorder","176760","2020-10-21","18:00:00","" "2011987","9.555","0.002","6.287","0.002","17.295","0.002","90","","99.99","0.01","90","","1023.2","0.4","293","","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","trans-stilbene - 2,2'-(2,3,5,6-tetrafluorobenzene-1,4-diylidene)- propanedinitrile (1/1)","","- C26 H12 F4 N4 -","- C26 H12 F4 N4 -","- C52 H24 F8 N8 -","2","0.5","","Sato, Akane; Okada, Mizuho; Saito, Kazuya; Sorai, Michio","The charge-transfer complex trans-STB‒TCNQF4","Acta Crystallographica Section C Crystal Structure Communications","2001","57","5","564","565","10.1107/S0108270100019454","","","0.71073","MoKα","","0.087","0.04","","","","0.1238","","","","","","1.029","","","","has coordinates","246119","2020-10-21","18:00:00","" "2011988","4.8574","0.001","7.3046","0.001","23.1846","0.001","91.61","0.01","95.66","0.01","90.99","0.01","818.1","0.2","293","2","293","2","","","","","","","","4","P -1","-P 1","2","lead heptanoate","catena-poly[[(heptanoato-O,O')lead(II)]-μ-heptanoato-O,O':O]","","- C14 H26 O4 Pb -","- C14 H26 O4 Pb -","- C28 H52 O8 Pb2 -","2","1","","Lacouture, Françoise; François, Michel; Didierjean, Claude; Rivera, Jean-Pierre; Rocca, Emmanuel; Steinmetz, Jean","Anhydrous lead(II) heptanoate","Acta Crystallographica Section C Crystal Structure Communications","2001","57","5","530","531","10.1107/S0108270101001615","","","0.71073","MoKα","","0.053","0.042","","","","0.132","","","","","","1.034","","","","has coordinates","246102","2020-10-21","18:00:00","" "2011989","12.5921","0.0015","12.5921","0.0015","73.721","0.007","90","","90","","120","","10123","2","293","2","293","2","","","","","","","","7","R -3 c :H","-R 3 2""c","167","","Triaqua-hexakis-(μ-betaine)-μ~3~-oxo- triiron(III) trichloride bis(tetrachloromanganate) hexahydrate","","- C30 H84 Cl11 Fe3 Mn2 N6 O22 -","- C30 H84 Cl11 Fe3 Mn2 N6 O22 -","- C180 H504 Cl66 Fe18 Mn12 N36 O132 -","6","0.166667","SK1445","Ramos Silva, M.; Matos Beja, A.; Paixão, J. A.; Alte da Veiga, L.; Martin-Gil, J.","An oxo-centred trinuclear Fe^III^ complex: triaquahexakis(μ~2~-betaine-O:O')-μ~3~-oxo-triiron(III) bis(tetrachloromanganate) trichloride hexahydrate","Acta Crystallographica Section C","2001","57","5","542","545","10.1107/S0108270101002876","","","0.71073","MoKα","","0.1193","0.0399","","","","0.1121","","","","","","0.996","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00","" "2011990","10.69","0.001","12.822","0.003","16.485","0.002","85.24","0.01","71.24","0.01","85.87","0.01","2129.7","0.6","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","tetrakis(benzoato-O,O')bis(2,6-diaminopyridine-N)dicopper(II)acetonitrile solvat","","- C42 H40 Cu2 N8 O8 -","- C42 H40 Cu2 N8 O8 -","- C84 H80 Cu4 N16 O16 -","2","1","SK1448","Lah, Nina; Giester, Gerald; Šegedin, Primož; Murn, Anica; Podlipnik, Katja; Leban, Ivan","Two dimeric Cu^II^ benzoate derivatives solvated with acetonitrile","Acta Crystallographica Section C","2001","57","5","546","548","10.1107/S0108270101003183","","","0.71073","MoKα","","0.1466","0.056","","","","0.154","","","","","","0.991","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00","" "2011991","9.875","0.001","10.707","0.001","18.046","0.002","75.86","0.01","79.69","0.01","68.28","0.01","1710.5","0.3","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","tetrakis(ν-benzoato)bis(acetonitrile)dicopper(II) 1.5 acetonitrile solvat","","- C35 H30.5 Cu2 N3.5 O8 -","- C70 H61 Cu4 N7 O16 -","- C70 H61 Cu4 N7 O16 -","1","0.5","SK1448","Lah, Nina; Giester, Gerald; Šegedin, Primož; Murn, Anica; Podlipnik, Katja; Leban, Ivan","Two dimeric Cu^II^ benzoate derivatives solvated with acetonitrile","Acta Crystallographica Section C","2001","57","5","546","548","10.1107/S0108270101003183","","","0.71073","MoKα","","0.0299","0.0249","","","","0.0794","","","","","","1.113","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00","" "2011992","11.6335","0.0001","5.6309","0.0001","14.8578","0.0002","90","","121.091","0.001","90","","833.48","0.02","293","2","293","2","","","","","","","","5","P 1 c 1","P -2yc","7","","Catena-[m-1,2-bis(4-pyridyl)ethane-bis-thiocyanato)Lead(II)]","","- C14 H12 N4 Pb S2 -","- C14 H12 N4 Pb S2 -","- C28 H24 N8 Pb2 S4 -","2","1","SK1453","Niu, Yun-Yin; Hou, Hong-Wei; Zhang, Qian-Feng; Xin, Xin-Quan; Fun, Hoong-Kun; Chantrapromma, Suchada; Razak, Ibrahim Abdul","catena-Poly[[bis(thiocyanato-N)lead(II)]-μ-1,2-bis(4-pyridyl)ethane-N:N']","Acta Crystallographica Section C","2001","57","5","526","527","10.1107/S0108270101002888","","","0.71073","MoKα","","0.0398","0.0375","","","","0.0885","","","","","","0.923","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00","" "2011993","13.5686","0.0009","16.0982","0.0018","19.615","0.003","90","","91.086","0.012","90","","4283.7","0.9","204","2","204","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","dimethyl 2,3-bis(tricyclo[3.3.1.1^3,7^]dec-2-ylidene)butanedioate","","- C26 H34 O4 -","- C26 H34 O4 -","- C208 H272 O32 -","8","2","SK1459","Bats, Jan W.; Grundl, Marc A.; Hashmi, A. Stephen K.","Pseudosymmetry and phase transition in dimethyl 2,3-bis(tricyclo[3.3.1.1^3,7^]dec-2-ylidene)butanedioate","Acta Crystallographica Section C","2001","57","5","653","656","10.1107/S0108270101003845","","","0.71073","MoKα","","0.101","0.059","","","","0.159","","","","","","1.138","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00","" "2011994","13.5304","0.0015","16.005","0.002","39.089","0.007","90","","91.147","0.012","90","","8463","2","142","2","142","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","dimethyl 2,3-bis(tricyclo[3.3.1.1^3,7^]dec-2-ylidene)butanedioate","","- C26 H34 O4 -","- C26 H34 O4 -","- C416 H544 O64 -","16","4","SK1459","Bats, Jan W.; Grundl, Marc A.; Hashmi, A. Stephen K.","Pseudosymmetry and phase transition in dimethyl 2,3-bis(tricyclo[3.3.1.1^3,7^]dec-2-ylidene)butanedioate","Acta Crystallographica Section C","2001","57","5","653","656","10.1107/S0108270101003845","","","0.71073","MoKα","","0.176","0.1","","","","0.246","","","","","","1.156","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00","" "2011995","5.699","0.002","10.347","0.003","11.327","0.004","67.51","0.02","80.38","0.03","80.35","0.03","604.5","0.4","173","1","173","1","","","","","","","","4","P -1","-P 1","2","","6-benzyl-3,3-dimethylmorpholine-2,5-dione","","- C13 H15 N O3 -","- C13 H15 N O3 -","- C26 H30 N2 O6 -","2","1","SK1460","Linden, Anthony; Ghorbani-Salman Pour, Fatemeh; Breitenmoser, Roland A.; Heimgartner, Heinz","(±)-6-Benzyl-3,3-dimethylmorpholine-2,5-dione and its 5-monothio and 2,5-dithio derivatives","Acta Crystallographica Section C","2001","57","5","634","637","10.1107/S0108270101003195","","","0.71069","MoKα","","0.0913","0.0469","","","","0.1302","","","","","","1.018","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00","" "2011996","13.901","0.004","5.843","0.006","16.559","0.005","90","","112.7","0.02","90","","1240.8","1.4","173","1","173","1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","6-benzyl-3,3-dimethyl-5-thioxomorpholin-2-one","","- C13 H15 N O2 S -","- C13 H15 N O2 S -","- C52 H60 N4 O8 S4 -","4","1","SK1460","Linden, Anthony; Ghorbani-Salman Pour, Fatemeh; Breitenmoser, Roland A.; Heimgartner, Heinz","(±)-6-Benzyl-3,3-dimethylmorpholine-2,5-dione and its 5-monothio and 2,5-dithio derivatives","Acta Crystallographica Section C","2001","57","5","634","637","10.1107/S0108270101003195","","","0.71069","MoKα","","0.0988","0.0524","","","","0.151","","","","","","1.04","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00","" "2011997","8.6915","0.0013","11.896","0.003","13.661","0.004","75.62","0.02","76.211","0.016","84.971","0.018","1328.2","0.6","173","1","173","1","","","","","","","","5","P -1","-P 1","2","","6-benzyl-3,3-dimethylmorpholine-2,5-dithione","","- C13 H15 N O S2 -","- C13 H15 N O S2 -","- C52 H60 N4 O4 S8 -","4","2","SK1460","Linden, Anthony; Ghorbani-Salman Pour, Fatemeh; Breitenmoser, Roland A.; Heimgartner, Heinz","(±)-6-Benzyl-3,3-dimethylmorpholine-2,5-dione and its 5-monothio and 2,5-dithio derivatives","Acta Crystallographica Section C","2001","57","5","634","637","10.1107/S0108270101003195","","","0.71069","MoKα","","0.0802","0.0487","","","","0.1421","","","","","","1.051","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00","" "2011998","34.792","0.005","10.0951","0.0017","11.6821","0.0017","90","","102.962","0.012","90","","3998.5","1.1","296","","296","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","1,1-Di-9-fluorenylethanol","","- C28 H22 O -","- C28 H22 O -","- C224 H176 O8 -","8","1","SX1118","Meyers, Cal Y.; Lutfi, Hisham G.; Hou, Yuqing; Robinson, Paul D.","1,1-Di(9-fluorenyl)ethanol, a by-product from the acetylation of 9-fluorenyllithium","Acta Crystallographica Section C","2001","57","5","580","581","10.1107/S0108270101001846","","","0.71069","MoKα","","0.177","0.037","","","","0.138","","","","","","0.968","","","","has coordinates","201957","2020-10-21","18:00:00","" "2011999","13.211","0.003","19.044","0.003","9.5505","0.0012","98.852","0.011","108.115","0.014","74.565","0.014","2194.7","0.7","296","","296","","","","","","","","","3","P -1","-P 1","2","","1,1-Di(9-fluorenyl)ethyl Acetate","","- C30 H24 O2 -","- C30 H24 O2 -","- C120 H96 O8 -","4","2","SX1121","Robinson, Paul D.; Lutfi, Hisham G.; Hou, Yuqing; Meyers, Cal Y.","1,1-Di(9-fluorenyl)ethyl acetate, a by-product from the acetylation of 9-fluorenyllithium","Acta Crystallographica Section C","2001","57","5","582","584","10.1107/S0108270101001858","","","0.71069","MoKα","","0.21","0.043","","","","0.14","","","","","","0.972","","","","has coordinates","201957","2020-10-21","18:00:00","" "2012000","7.595","0.0007","9.9731","0.0009","13.7266","0.0009","90","","98.967","0.006","90","","1027.02","0.15","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","16α,17α-Epoxy-20-oxopregn-5-en-3β-yl acetate","","- C23 H32 O4 -","- C23 H32 O4 -","- C46 H64 O8 -","2","1","SX1123","Andrade, L. C. R.; Paixão, J. A.; de Almeida, M. J. M.; Martins, R. M. L. M.; Soares, H. I. M.; Morais, G. J. R.; Moreno, M. J. S. M.; Sá e Melo, M. L.; Campos Neves, A. S.","16α,17α-Epoxy-20-oxopregn-5-en-3β-yl acetate","Acta Crystallographica Section C","2001","57","5","587","589","10.1107/S0108270101002311","","","0.71073","MoKα","","0.059","0.037","","","","0.101","","","","","","1.022","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00","" "2012001","12.0263","0.0017","6.0321","0.0009","5.829","0.002","90","0.12","90","0.03","90","0.03","422.86","0.17","293","2","293","2","","","","","","","","4","P n a 21","P 2c -2n","33","DL-alanine","DL-Alanine","","- C3 H7 N O2 -","- C3 H7 N O2 -","- C12 H28 N4 O8 -","4","1","VJ1132","Subha Nandhini, M.; Krishnakumar, R.V.; Natarajan, S.","DL-Alanine","Acta Crystallographica Section C","2001","57","5","614","615","10.1107/S010827010100261X","","","1.5418","CuKα","","0.0254","0.0252","","","","0.0719","","","","","","1.089","","","","has coordinates","201957","2020-10-21","18:00:00","" "2012002","7.6058","0.0008","10.378","0.0002","10.695","0.001","90","","119.635","0.007","90","","733.76","0.12","293","2","293","3","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","meso-N,N'-oxalyl-bis-valine","","- C12 H20 N2 O6 -","- C12 H20 N2 O6 -","- C24 H40 N4 O12 -","2","0.5","AV1074","Perić, Berislav; Kojić-Prodić, Biserka; Makarević, Janja; Jokić, Milan; Žinić, Mladen","meso-N,N'-Oxalyldivaline","Acta Crystallographica Section C","2001","57","6","747","748","10.1107/S0108270101004590","","","1.54178","CuKα","","0.0841","0.0626","","","","0.1944","","","","","","1.06","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00","" "2012003","7.8579","0.0001","23.7627","0.0005","15.3423","0.0002","90","","94.765","0.001","90","","2854.89","0.08","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","3-amino-2,4 dicyano-5-ethyl-4'- methyl Biphenyl","","- C17 H15 N3 -","- C17 H15 N3 -","- C136 H120 N24 -","8","2","BJ1022","Subbiah Pandi, A.; Velmurugan, D.; Shanmuga Sundara Raj, S.; Fun, Hoong-Kun; Raghukumar, V.; Ramakrishnan, V.T.","3-Amino-4'-methyl-5-ethylbiphenyl-2,4-dicarbonitrile and 3-amino-4'-(N,N-diethylamino)-5-ethylbiphenyl-2,4-dicarbonitrile","Acta Crystallographica Section C","2001","57","6","723","725","10.1107/S0108270101002128","","","0.71073","MoKα","","0.162","0.0667","","","","0.1733","","","","","","0.97","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00","" "2012004","10.8918","0.0002","10.3458","0.0002","16.5707","0.0002","90","","101.496","0.001","90","","1829.8","0.05","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","3-amino-2,4 dicyano-5-ethyl-4'- N,N diethyl amino Biphenyl","","- C20 H22 N4 -","- C20 H22 N4 -","- C80 H88 N16 -","4","1","BJ1022","Subbiah Pandi, A.; Velmurugan, D.; Shanmuga Sundara Raj, S.; Fun, Hoong-Kun; Raghukumar, V.; Ramakrishnan, V.T.","3-Amino-4'-methyl-5-ethylbiphenyl-2,4-dicarbonitrile and 3-amino-4'-(N,N-diethylamino)-5-ethylbiphenyl-2,4-dicarbonitrile","Acta Crystallographica Section C","2001","57","6","723","725","10.1107/S0108270101002128","","","0.71073","MoKα","","0.1397","0.0605","","","","0.1449","","","","","","1","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00","" "2012005","8.3887","0.0006","6.0883","0.0005","16.8795","0.001","90","","90","","90","","862.09","0.11","298","2","298","2","","","","","","","","4","P c a 21","P 2c -2ac","29","Aqua isophthalato zinc(II)","poly[[aquazinc(II)]-μ-benzene-1,3-dicarboxylato]","","- C8 H6 O5 Zn -","- C8 H6 O5 Zn -","- C32 H24 O20 Zn4 -","4","1","BK1593","Otto, Thomas J.; Wheeler, Kraig A.","Aqua(benzene-1,3-dicarboxylato)zinc(II)","Acta Crystallographica Section C","2001","57","6","704","705","10.1107/S0108270101004772","","","0.71073","MoKα","","0.037","0.034","","","","0.085","","","","","","1.18","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00","" "2012006","7.2662","0.0003","5.4568","0.0005","5.7092","0.0006","97.596","0.002","91.83","0.002","103.493","0.002","217.73","0.03","100","2","100","2","","","","","","","","5","P -1","-P 1","2","chromous hydrazine sulfate","Dihydraziniumchromium(II) sulfate","","- Cr H10 N4 O8 S2 -","- Cr H10 N4 O8 S2 -","- Cr H10 N4 O8 S2 -","1","0.5","BM1427","Parkins, Adrian W.; Prince, Paul D.; Smith, Robert A. L.; Steed, Jonathan W.","Chromous hydrazine sulfate","Acta Crystallographica Section C","2001","57","6","670","671","10.1107/S0108270101000919","","","0.71073","MoKα","","0.027","0.025","","","","0.074","","","","","","1.178","","","","has coordinates","176760","2020-10-21","18:00:00","" "2012007","13.601","0.003","10.981","0.003","17.973","0.004","90","","102.598","0.006","90","","2619.7","1.1","301","2","301","2","","","","","","","","7","C 1 2 1","C 2y","5","","","","- C27 H25 F Mo N O4 P -","- C27 H25 F Mo N O4 P -","- C108 H100 F4 Mo4 N4 O16 P4 -","4","1","BM1444","McElroy, Liam; Nieuwenhuyzen, Mark; Saunders, Graham C.","cis-Tetracarbonyl[(4-fluorophenyl)diphenylphosphine-P](piperidine-N)molybdenum(0)","Acta Crystallographica Section C","2001","57","6","678","679","10.1107/S0108270101003614","","","0.71073","MoKα","","0.0392","0.0331","","","","0.0675","","","","","","1","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00","" "2012008","13.0758","0.0002","18.3961","0.0003","13.0405","0.0002","90","","104.694","0.0012","90","","3034.22","0.08","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Bis(hydridotris-{3-cyclohexylpyrazol-1-yl}borato)copper(II) bis(dichloromethane) solvate","","- C56 H84 B2 Cl4 Cu N12 -","- C56 H84 B2 Cl4 Cu N12 -","- C112 H168 B4 Cl8 Cu2 N24 -","2","0.5","BM1451","Halcrow, Malcolm A.; Kilner, Colin A.; Thornton-Pett, Mark","Bis[tris(3-cyclohexylpyrazol-1-yl)hydridoborato]copper(II) dichloromethane disolvate","Acta Crystallographica Section C","2001","57","6","711","713","10.1107/S0108270101005510","","","0.71073","MoKα","","0.0722","0.0578","","","","0.1726","","","","","","1.037","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00","" "2012009","14.2774","0.0007","6.6398","0.0004","10.2465","0.0006","90","","122.224","0.001","90","","821.74","0.08","293","","293","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","Lutetium silicate","Dilutetium silicon pentaoxide","","- Lu2 O5 Si -","- Lu2 O5 Si -","- Lu16 O40 Si8 -","8","1","BR1287","Gustafsson, T.; Klintenberg, M.; Derenzo, S. E.; Weber, M. J.; Thomas, J. O.","Lu~2~SiO~5~ by single-crystal X-ray and neutron diffraction","Acta Crystallographica Section C","2001","57","6","668","669","10.1107/S0108270101005352","","neutron","1.207","neutron","","0.035","0.035","","0.078","","0.078","","","","","","2.91","","","","has coordinates,has Fobs","190524","2020-10-21","18:00:00","" "2012010","9.8354","0.0001","7.5648","0.0001","31.1172","0.0004","90","","94.4628","0.0004","90","","2308.19","0.05","123","2","123","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","4,7-diphenyl-1,10-phenanthrolinetetracarbonylmolybdenum","","- C28 H16 Mo N2 O4 -","- C28 H16 Mo N2 O4 -","- C112 H64 Mo4 N8 O16 -","4","1","BR1317","Xie, Xiang-Jin; Jin, Xiang-Lin; Tang, Ka-Luo","A molybdenum complex with 4,7-diphenyl-1,10-phenanthroline","Acta Crystallographica Section C","2001","57","6","696","697","10.1107/S0108270101004164","","","0.71073","MoKα","","0.0381","0.0233","","","","0.0536","","","","","","0.931","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00","" "2012011","5.0976","0.0003","5.0976","0.0003","8.3441","0.0004","90","","90","","120","","187.77","0.02","593","","593","","","","","","","","","3","P 63 m c","P 6c -2c","186","","","","- Al O4 P -","- Al O4 P -","- Al2 O8 P2 -","2","0.166667","","Graetsch, Heribert A.","Hexagonal high-temperature form of AlPO~4~ tridymite, from X-ray powder data","Acta Crystallographica, Section C","2001","57","","665","667","10.1107/S0108270101005133","","","","","","","","","","","","","","","","","","","","","has coordinates","277836","2022-09-14","17:02:02","" "2012012","5.0976","0.0003","5.0976","0.0003","8.3441","0.0004","90","","90","","120","","187.77","0.02","593","","593","","","","","","","","","3","P 63 m c","P 6c -2c","186","","","","- Al O4 P -","- Al O4.00008 P -","- Al2 O8.00016 P2 -","2","0.166667","","Graetsch, Heribert A.","Hexagonal high-temperature form of AlPO~4~ tridymite, from X-ray powder data","Acta Crystallographica, Section C","2001","57","","665","667","10.1107/S0108270101005133","","","","","","","","","","","","","","","","","","","","","has coordinates","277836","2022-09-14","17:02:02","" "2012013","13.487","0.003","3.647","0.001","13.506","0.003","90","","102.33","0.03","90","","649","0.3","203","2","203","2","","","","","","","","3","P 1 2/n 1","-P 2yac","13","","1,2,4,5-Tetrahydroxybenzene monohydrate","","- C6 H8 O5 -","- C6 H8 O5 -","- C24 H32 O20 -","4","1","DA1173","Jene, Paul G.; Pernin, Christopher G.; Ibers, James A.","Comparison of conventional and synchrotron X-ray structure determinations of the adduct 1,2,4,5-tetrahydroxybenzene‒2,5-dihydroxy-1,4-benzoquinone (1/1) and a conventional X-ray structure determination of 1,2,4,5-tetrahydroxybenzene monohydrate","Acta Crystallographica Section C","2001","57","6","730","734","10.1107/S0108270101003353","","","0.71073","MoKα","","0.055","0.045","","","","0.149","","","","","","1.22","","","","has coordinates,has Fobs","209447","2020-10-21","18:00:00","" "2012014","7.387","0.003","6.06","0.001","12.198","0.002","90","","105.78","0.02","90","","525.5","0.3","163","2","163","3","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","1,2,4,5-Tetrahydroxybenzene-2,5-Dihydroxy-1,4-benzoquinone (1/1)","","- C12 H10 O8 -","- C12 H10 O8 -","- C24 H20 O16 -","2","0.5","DA1173","Jene, Paul G.; Pernin, Christopher G.; Ibers, James A.","Comparison of conventional and synchrotron X-ray structure determinations of the adduct 1,2,4,5-tetrahydroxybenzene‒2,5-dihydroxy-1,4-benzoquinone (1/1) and a conventional X-ray structure determination of 1,2,4,5-tetrahydroxybenzene monohydrate","Acta Crystallographica Section C","2001","57","6","730","734","10.1107/S0108270101003353","","","1.54178","CuKα","","0.038","0.035","","","","0.114","","","","","","1.14","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00","" "2012015","7.382","0.001","6.065","0.001","12.197","0.001","90","","105.778","0.001","90","","525.51","0.12","110","2","110","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","1,2,4,5-Tetrahydroxybenzene-2,5-Dihydroxy-1,4-benzoquinone (1/1)","","- C12 H10 O8 -","- C12 H10 O8 -","- C24 H20 O16 -","2","0.5","DA1173","Jene, Paul G.; Pernin, Christopher G.; Ibers, James A.","Comparison of conventional and synchrotron X-ray structure determinations of the adduct 1,2,4,5-tetrahydroxybenzene‒2,5-dihydroxy-1,4-benzoquinone (1/1) and a conventional X-ray structure determination of 1,2,4,5-tetrahydroxybenzene monohydrate","Acta Crystallographica Section C","2001","57","6","730","734","10.1107/S0108270101003353","","","0.354","synchrotron","","0.036","0.031","","","","0.113","","","","","","1.04","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00","" "2012016","7.2603","0.0016","10.777","0.002","15.197","0.003","73.544","0.004","77.338","0.004","83.827","0.004","1111.3","0.4","295","2","295","2","","","","","","","","5","P -1","-P 1","2","(dimethylquinoxalineH)2CuBr3","Bis(dimethylquinoxalinium)tribrocuprate(I)","","- C20 H22 Br3 Cu N4 -","- C20 H22 Br3 Cu N4 -","- C40 H44 Br6 Cu2 N8 -","2","1","DA1178","Willett, Roger D.; Twamley, Brendan","Bis(2,3-dimethylquinoxalinium) tribromocuprate(I)","Acta Crystallographica Section C","2001","57","6","706","708","10.1107/S0108270101005017","","","0.71073","MoKα","","0.0537","0.0307","","","","0.0718","","","","","","0.994","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00","" "2012017","9.2884","0.0008","6.7527","0.0006","10.6582","0.0009","90","","96.5141","0.0014","90","","664.19","0.1","193","2","193","2","","","","","","","","5","P 1 21 1","P 2yb","4","","2,4-Difluoro-(E)-5-(2-iodovinyl)-1-(2'-deoxy-β-D-ribofuranosyl)benzene","","- C13 H13 F2 I O3 -","- C13 H13 F2 I O3 -","- C26 H26 F4 I2 O6 -","2","1","DA1180","Mark, Brian L.; Parrish, Jonathan C.; Wang, Zhi-Xian; Wiebe, Leonard I.; Knaus, Edward E.; James, Michael N. G.","(E)-1-(2'-Deoxy-β-D-ribofuranosyl)-2,4-difluoro-5-(2-iodovinyl)benzene","Acta Crystallographica Section C","2001","57","6","758","760","10.1107/S0108270101005029","","","0.71073","MoKα","","0.0394","0.0372","","","","0.0953","","","","","","1.021","","","","has coordinates","201957","2020-10-21","18:00:00","" "2012018","12.487","0.002","7.5477","0.0013","17.513","0.003","90","","105.22","0.02","90","","1592.7","0.5","296","2","296","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","4,7-bis[(4-pyridyl)ethynyl]-2,1,3-benzothiadiazole","","- C20 H10 N4 S -","- C20 H10 N4 S -","- C80 H40 N16 S4 -","4","1","DE1167","Akhtaruzzaman, Md.; Tomura, Masaaki; Yamashita, Yoshiro","4,7-Bis(4-pyridylethynyl)-2,1,3-benzothiadiazole and its dipyridinium diperchlorate","Acta Crystallographica Section C","2001","57","6","751","753","10.1107/S0108270101004802","","","1.54178","CuKα","","0.1282","0.0682","","","","0.2092","","","","","","1.065","","","","has coordinates","201957","2020-10-21","18:00:00","" "2012019","5.1097","0.0003","24.4522","0.0016","17.8489","0.0013","90","","92.281","0.005","90","","2228.3","0.3","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","4,7-bis[(4-pyridinium)ethynyl]-2,1,3-benzothiadiazole diperchlorate","","- C20 H12 Cl2 N4 O8 S -","- C20 H12 Cl2 N4 O8 S -","- C80 H48 Cl8 N16 O32 S4 -","4","1","DE1167","Akhtaruzzaman, Md.; Tomura, Masaaki; Yamashita, Yoshiro","4,7-Bis(4-pyridylethynyl)-2,1,3-benzothiadiazole and its dipyridinium diperchlorate","Acta Crystallographica Section C","2001","57","6","751","753","10.1107/S0108270101004802","","","1.54178","CuKα","","0.1236","0.0606","","","","0.2045","","","","","","0.999","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00","" "2012020","5.604","0.009","25.9","0.05","8.427","0.012","90","","96.4","0.14","90","","1216","4","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","aminomalononitrile p-toluenesulfonate","Ammonio-malononitrile p-toluenesulfonate","","- C10 H11 N3 O3 S -","- C10 H11 N3 O3 S -","- C40 H44 N12 O12 S4 -","4","1","DE1169","Steiner, Thomas","The C—H···O hydrogen bond in (dicyanomethyl)ammonium p-toluenesulfonate","Acta Crystallographica Section C","2001","57","6","775","776","10.1107/S0108270101005789","","","0.71073","MoKα","","0.0604","0.0451","","","","0.126","","","","","","1.025","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00","" "2012021","8.538","0.002","14.114","0.002","15.648","0.004","106.04","0.014","93.59","0.02","104.964","0.016","1732.5","0.7","298","","298","","","","","","","","","7","P -1","-P 1","2","","","","- C33 H33 Cl3 Fe I N4 O4 -","- C33 H33 Cl3 Fe I N4 O4 -","- C66 H66 Cl6 Fe2 I2 N8 O8 -","2","1","FG1624","Ohgo, Yoshiki; Neya, Saburo; Funasaki, Noriaki; Nakamura, Mikio","(12,17-Diethoxycarbonyl-2,3,6,7,11,18-hexamethylcorrphycenato-κ^4^N)iodoiron(III) chloroform solvate","Acta Crystallographica Section C","2001","57","6","694","695","10.1107/S0108270101003985","","","0.71069","MoKα","","0.084","0.0479","","","","0.15","","","","","","1.089","","","","has coordinates,has disorder","176760","2020-10-21","18:00:00","" "2012022","29.2399","0.0004","12.5188","0.0002","23.8447","0.0004","90","","119.649","0.0006","90","","7585.5","0.2","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C39.5 H48 Cl2 N2 O2 Zr -","- C39.5 H47 Cl2 N2 O2 Zr -","- C316 H376 Cl16 N16 O16 Zr8 -","8","1","GD1128","Henderson, Kenneth W.; Kennedy, Alan R.; McKeown, Arlene E.; Mulvey, Robert E.","Dichlorobis(dibenzylamino)bis(tetrahydrofuran)zirconium(IV) toluene hemisolvate","Acta Crystallographica Section C","2001","57","6","674","675","10.1107/S0108270101003559","","","0.71073","MoKα","","0.1104","0.0502","","","","0.1059","","","","","","0.965","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00","" "2012023","10.899","0.005","12.211","0.004","7.775","0.003","102.23","0.02","92.21","0.03","96.64","0.03","1002.4","0.7","296.2","","296.2","","","","","","","","","6","P -1","-P 1","2","","","","- C22 H17 Cl2 N O3 S -","- C22 H17 Cl2 N O3 S -","- C44 H34 Cl4 N2 O6 S2 -","2","1","GD1131","Chaudhuri, Gopeswar; Helliwell, Madeleine; Kundu, Nitya G.","(Z)-7-Chloro-3-[(3-chlorophenyl)methylidene]-4-p-tosyl-3,4-dihydro-2H-1,4-benzoxazine","Acta Crystallographica Section C","2001","57","6","740","741","10.1107/S0108270101004036","","","0.7107","MoKα","","0.0935","0.0491","","","","0.1178","","","","","","1.089","","","","has coordinates","176760","2020-10-21","18:00:00","" "2012024","11.525","0.005","14.465","0.006","9.761","0.003","90","","92.82","0.04","90","","1625.3","1.1","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","3-Phenylazo-2-(4-methoxyphenylamino)-2-penten-4-one","","- C18 H19 N3 O2 -","- C18 H19 N3 O2 -","- C72 H76 N12 O8 -","4","1","GD1141","Kettmann, Viktor; Lokaj, Jan; Petr Šimunek; Vladimír Macháček","4-(4-Methoxyphenylamino)-3-phenylazo-3-penten-2-one","Acta Crystallographica Section C","2001","57","6","737","739","10.1107/S0108270101004851","","","0.71073","MoKα","","0.153","0.0695","","","","0.1394","","","","","","0.932","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00","" "2012025","7.153","0.003","8.961","0.004","13.156","0.007","92.69","0.05","106.83","0.05","96.79","0.04","798.6","0.7","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","cis-6-Phenyl-4bH,6H,11H,13H-isoindolo[1,2-c]benz[2,4]oxazepin-13-one","","- C22 H17 N O2 -","- C22 H17 N O2 -","- C44 H34 N2 O4 -","2","1","GD1142","Lokaj, Jan; Kettmann, Viktor; Marchalin, Stefan; Sikoraiova, Jana","cis-6-Phenyl-4bH,6H,11H,13H-isoindolo[1,2-c]benz[2,4]oxazepin-13-one","Acta Crystallographica Section C","2001","57","6","735","736","10.1107/S0108270101003870","","","0.71073","MoKα","","0.061","0.047","","","","0.133","","","","","","1.099","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00","" "2012026","11.414","0.003","10.769","0.003","17.863","0.005","90","","93.303","0.006","90","","2192","1","150","2","150","2","","","","","","","","7","P 1 21 1","P 2yb","4","","μ-Oxo-bis[(η^5^-1,2-dicarbaundecaborato)bis(N,N-dimethylacetamidinato) tantalum] dichloromethane hemisolvate","","- C20.5 H59 B18 Cl N8 O Ta2 -","- C20.5 H59 B18 Cl N8 O Ta2 -","- C41 H118 B36 Cl2 N16 O2 Ta4 -","2","1","GD1146","Goeta, Andrès E.; Hughes, Andrew K.; Malget, John M.","μ-Oxo-bis[(η^5^-1,2-dicarbaundecaborato)bis(N,N-dimethylacetamidinato)tantalum] dichloromethane hemisolvate","Acta Crystallographica Section C","2001","57","6","702","703","10.1107/S010827010100436X","","","0.71073","MoKα","","0.048","0.035","","","","0.095","","","","","","1.095","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00","" "2012027","7.108","0.001","17.598","0.004","7.246","0.001","90","","90.33","0.03","90","","906.4","0.3","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1-Methyl-4-nitraminopyridinium nitrate","","- C6 H8 N4 O5 -","- C6 H8 N4 O5 -","- C24 H32 N16 O20 -","4","1","GD1147","Zaleski, Jacek; Daszkiewicz, Zdzisław; Kyzioł, Janusz B.","1-Methyl-4-nitraminopyridinium nitrate and 4-nitraminopyridinium methanesulfonate","Acta Crystallographica Section C","2001","57","6","754","757","10.1107/S0108270101004784","","","0.71073","MoKα","","0.075","0.043","","","","0.141","","","","","","1.028","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00","" "2012028","11.824","0.002","8.138","0.002","20.125","0.004","90","","97.36","0.03","90","","1920.5","0.7","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","4-Nitraminopyridinium methanesulphonate","","- C6 H9 N3 O5 S -","- C6 H9 N3 O5 S -","- C48 H72 N24 O40 S8 -","8","2","GD1147","Zaleski, Jacek; Daszkiewicz, Zdzisław; Kyzioł, Janusz B.","1-Methyl-4-nitraminopyridinium nitrate and 4-nitraminopyridinium methanesulfonate","Acta Crystallographica Section C","2001","57","6","754","757","10.1107/S0108270101004784","","","0.71073","MoKα","","0.038","0.033","","","","0.099","","","","","","1.083","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00","" "2012029","12.4551","0.0014","7.9901","0.0008","13.035","0.0019","90","","105.983","0.005","90","","1247.1","0.3","150","2","150","2","","","","","","","","5","I 1 2 1","I 2y","5","","Dichloro[1,2-bis(diphenylphosphino)ethane]nickel(II) (form C at 150 K)","","- C26 H24 Cl2 Ni P2 -","- C26 H24 Cl2 Ni P2 -","- C52 H48 Cl4 Ni2 P4 -","2","0.5","GG1036","Davison, Jo C.; Foreman, Mark R. St.-J.; Howie, R. Alan; Plater, M. John; Skakle, Janet M.S.","A new polymorph, form C, of [1,2-bis(diphenylphosphino)ethane]dichloronickel(II)","Acta Crystallographica Section C","2001","57","6","690","693","10.1107/S0108270101003961","","","0.71073","MoKα","","0.084","0.05","","","","0.105","","","","","","1.04","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00","" "2012030","12.5688","0.0015","8.0208","0.0008","13.0871","0.0009","90","","105.531","0.004","90","","1271.2","0.2","293","2","293","2","","","","","","","","5","I 1 2 1","I 2y","5","","Dichloro[1,2-bis(diphenylphosphino)ethane]nickel(II) (form C at 293 K)","","- C26 H24 Cl2 Ni P2 -","- C26 H24 Cl2 Ni P2 -","- C52 H48 Cl4 Ni2 P4 -","2","0.5","GG1036","Davison, Jo C.; Foreman, Mark R. St.-J.; Howie, R. Alan; Plater, M. John; Skakle, Janet M.S.","A new polymorph, form C, of [1,2-bis(diphenylphosphino)ethane]dichloronickel(II)","Acta Crystallographica Section C","2001","57","6","690","693","10.1107/S0108270101003961","","","0.71073","MoKα","","0.132","0.049","","","","0.1","","","","","","0.952","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00","" "2012031","11.2779","0.0003","13.3386","0.0004","15.8739","0.0005","90","","98.7953","0.0016","90","","2359.85","0.12","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Dichloro[1,2-bis(diphenylphosphino)ethane]nickel(II) - form A at 150 K","","- C26 H24 Cl2 Ni P2 -","- C26 H24 Cl2 Ni P2 -","- C104 H96 Cl8 Ni4 P8 -","4","1","GG1036","Davison, Jo C.; Foreman, Mark R. St.-J.; Howie, R. Alan; Plater, M. John; Skakle, Janet M.S.","A new polymorph, form C, of [1,2-bis(diphenylphosphino)ethane]dichloronickel(II)","Acta Crystallographica Section C","2001","57","6","690","693","10.1107/S0108270101003961","","","0.71073","MoKα","","0.059","0.042","","","","0.117","","","","","","1.058","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00","" "2012032","12.7815","0.0007","7.701","0.0007","26.271","0.002","90","","96.418","0.005","90","","2569.7","0.3","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Triaqua-bis[N-(6-amino-3,4-dihydro-3-methyl-5-nitroso-4-oxopyrimidin-2- yl)glycylglycinato]calcium","","- C18 H28 Ca N12 O13 -","- C18 H28 Ca N12 O13 -","- C72 H112 Ca4 N48 O52 -","4","0.5","GG1048","Low, John N.; Arranz, Paloma; Cobo, Justo; Fontecha, M. Angeles; Godino, M. Luz; López, Rafael; Cannon, Debbie; Quesada, Antonio; Glidewell, Christopher","Bis[N-(6-amino-3,4-dihydro-3-methyl-5-nitroso-4-oxopyrimidin-2-yl)glycylglycinato]triaquacalcium: coordination polymer chains linked by hydrogen bonds","Acta Crystallographica Section C","2001","57","6","680","682","10.1107/S0108270101004267","","","0.71073","MoKα","","0.096","0.049","","","","0.135","","","","","","1","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00","" "2012033","7.6037","0.0003","33.9046","0.0014","11.9404","0.0006","90","","93.058","0.002","90","","3073.9","0.2","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","N,N'-Dithiodiphthalimide","","- C16 H8 N2 O4 S2 -","- C16 H8 N2 O4 S2 -","- C128 H64 N16 O32 S16 -","8","2","GG1049","Skakle, Janet M. S.; Wardell, James L.; Low, John N.; Glidewell, Christopher","Solvated and solvent-free forms of N,N'-dithiodiphthalimide","Acta Crystallographica Section C","2001","57","6","742","746","10.1107/S0108270101004279","","","0.71073","MoKα","","0.249","0.061","","","","0.115","","","","","","0.86","","","","has coordinates","201957","2020-10-21","18:00:00","" "2012034","14.3782","0.0013","16.0723","0.0014","7.791","0.0007","90","","93.256","0.002","90","","1797.5","0.3","295","2","295","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","N,N'-Dithiodiphthalimide","","- C16 H8 N2 O4 S2 -","- C16 H8 N2 O4 S2 -","- C64 H32 N8 O16 S8 -","4","0.5","GG1049","Skakle, Janet M. S.; Wardell, James L.; Low, John N.; Glidewell, Christopher","Solvated and solvent-free forms of N,N'-dithiodiphthalimide","Acta Crystallographica Section C","2001","57","6","742","746","10.1107/S0108270101004279","","","0.71073","MoKα","","0.096","0.043","","","","0.079","","","","","","1.005","","","","has coordinates","176760","2020-10-21","18:00:00","" "2012035","14.8129","0.0011","15.928","0.0013","7.6616","0.0006","90","","91.671","0.002","90","","1806.9","0.2","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","N,N'-Dithiodiphthalimide","","- C16 H8 N2 O4 S2 -","- C16 H8 N2 O4 S2 -","- C64 H32 N8 O16 S8 -","4","0.5","GG1049","Skakle, Janet M. S.; Wardell, James L.; Low, John N.; Glidewell, Christopher","Solvated and solvent-free forms of N,N'-dithiodiphthalimide","Acta Crystallographica Section C","2001","57","6","742","746","10.1107/S0108270101004279","","","0.71073","MoKα","","0.14","0.062","","","","0.184","","","","","","0.92","","","","has coordinates","176760","2020-10-21","18:00:00","" "2012036","9.5208","0.0001","9.5208","0.0001","37.5113","0.0005","90","","90","","120","","2944.69","0.06","293","2","293","2","","","","","","","","3","P 63/m","-P 6c","176","","pentarubidium heptacosamolybdenum hentriacontaselenium","","- Mo27 Rb5 Se31 -","- Mo27 Rb5 Se31 -","- Mo54 Rb10 Se62 -","2","0.166667","JZ1447","Picard, S.; Gougeon, P.; Potel, M.","Rb~5~Mo~27~Se~31~, a novel ternary reduced molybdenum selenide containing Mo~12~ and Mo~15~ clusters","Acta Crystallographica Section C","2001","57","6","663","664","10.1107/S0108270101003389","","","0.71069","MoKα","","0.127","0.047","","","","0.12","","","","","","1.052","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00","" "2012037","13.009","0.003","9.333","0.005","15.162","0.005","90","","113.24","0.02","90","","1691.5","1.2","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","[Mn(vanpa)(benzoato)]~2~","bis(μ-benzoato-O:O')-bis(2-(6-methoxy)salicylideneamino -3-propanolato-N,O'',O''':O''')-dimanganese(III)","","- C36 H36 Mn2 N2 O10 -","- C36 H36 Mn2 N2 O10 -","- C72 H72 Mn4 N4 O20 -","2","0.5","JZ1457","Zhang, Cungen; Janiak, Christoph","A carboxylato-supported alkoxo-bridged dimanganese(III) complex: bis(μ-benzoato-O:O')bis[3-(3-methoxysalicylideneamino)propanolato-O,N,O':O']dimanganese(III)","Acta Crystallographica Section C","2001","57","6","719","720","10.1107/S0108270101005790","","","0.71073","MoKα","","0.0805","0.0466","","","","0.116","","","","","","1.06","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00","" "2012038","9.37","0.0004","13.033","0.0005","17.521","0.0006","90","","90","","90","","2139.65","0.14","123","2","123","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","4-Biphenylylurea","4-Biphenylylurea","","- C13 H12 N2 O -","- C13 H12 N2 O -","- C104 H96 N16 O8 -","8","1","JZ1458","George, Sumod; Nangia, Ashwini; Lynch, Vincent M.","N-(4-Biphenylyl)urea","Acta Crystallographica Section C","2001","57","6","777","778","10.1107/S0108270101005807","","","0.71073","MoKα","","0.0543","0.0404","","0.1044","","0.0965","","","1.015","","","1.052","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00","" "2012039","12.875","0.0002","6.996","0.0001","16.448","0.0003","90","","111.223","0.0008","90","","1381.05","0.04","110","2","110","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Bis(μ-pyrrolidine-N:N)bis(dibromoboron)","","- C8 H16 B2 Br4 N2 -","- C8 H16 B2 Br4 N2 -","- C32 H64 B8 Br16 N8 -","4","1","LN1117","Abu Ali, Hijazi; Goldberg, Israel; Srebnik, Morris","Bis(μ-pyrrolidine-N:N)bis(dibromoboron), [(Br)~2~B(pyrrolidine)~2~B(Br)~2~]","Acta Crystallographica Section C","2001","57","6","770","771","10.1107/S0108270101005388","","","0.7107","MoKα","","0.037","0.029","","","","0.069","","","","","","1.007","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00","" "2012040","9.9502","0.0002","10.368","0.0002","12.4995","0.0002","94.692","0.001","94.319","0.001","98.505","0.001","1266.03","0.04","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","5-Amino-4-(4-N,N-diethylaminophenyl)-2-(4'-hydroxyphenyl)-7- (pyrrolidin-1-yl)-1,6-naphthyridine-8-carbonitrile","","- C29 H30 N6 O -","- C29 H30 N6 O -","- C58 H60 N12 O2 -","2","1","NA1495","Sankaranarayanan, R.; Velmurugan, D.; Shanmuga Sundara Raj, S.; Fun, Hoong-Kun","5-Amino-4-(4-diethylaminophenyl)-2-(4-hydroxyphenyl)-7-(pyrrolidin-1-yl)-1,6-naphthyridine-8-carbonitrile","Acta Crystallographica Section C","2001","57","6","726","727","10.1107/S010827010100422X","","","0.71073","MoKα","","0.0631","0.0549","","","","0.1698","","","","","","1.009","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00","" "2012041","19.27","0.004","7.2111","0.0017","10.025","0.005","90","","90","","90","","1393.1","0.8","293","2","","","","","","","","","","5","I m a 2","I 2 -2a","46","","catena-Poly[dibromozinc(II)-μ-ethylenediamine-N:N']","","- C2 H8 Br2 N2 Zn -","- C2 H8 Br2 N2 Zn -","- C16 H64 Br16 N16 Zn8 -","8","1","NA1500","Pritchard, Robin G.; Eaton, Nicola; McDonald, Stephen; Strickland, Phillip","catena-Poly[dibromozinc(II)-μ-ethylenediamine-N:N']: resolution of structural anomalies resulting from the interpretation of vibrational spectra","Acta Crystallographica Section C","2001","57","6","672","673","10.1107/S0108270101000567","","","1.54178","CuKα","","","0.053","","","","0.151","","","","","","1.019","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00","" "2012042","8.238","0.008","7.498","0.006","15.016","0.008","90","","92.81","0.05","90","","926.4","1.3","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","Potassium 4-(4-bis(hydroxyethyl)amino-phenylazo)benzoate dihydrate","","- C17 H22 K N3 O6 -","- C17 H22 K N3 O6 -","- C34 H44 K2 N6 O12 -","2","1","NA1508","Centore, Roberto; Tuzi, Angela","Polynuclear coordination compounds of alkali metal ions with organic chromophores","Acta Crystallographica Section C","2001","57","6","698","701","10.1107/S0108270101004231","","","0.71069","MoKα","","0.0626","0.0391","","","","0.1035","","","","","","1.027","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00","" "2012043","9.023","0.003","11.818","0.003","19.4","0.005","99.31","0.04","99.41","0.04","93.36","0.02","2006.3","1.1","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","Sodium 4-({4-[N,N-bis(2-hydroxyethyl)amino]phenyl}diazenyl)benzoate 3.5-hydrate","","- C17 H25 N3 Na O7.5 -","- C17 H25 N3 Na O7.5 -","- C68 H100 N12 Na4 O30 -","4","2","NA1508","Centore, Roberto; Tuzi, Angela","Polynuclear coordination compounds of alkali metal ions with organic chromophores","Acta Crystallographica Section C","2001","57","6","698","701","10.1107/S0108270101004231","","","0.71069","MoKα","","0.1215","0.0689","","","","0.2091","","","","","","0.996","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00","" "2012044","12.661","0.001","6.033","0.0008","18.494","0.0002","90","","96.19","0.01","90","","1404.4","0.2","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C11 H11 Cl3 O Te -","- C11 H11 Cl3 O Te -","- C44 H44 Cl12 O4 Te4 -","4","1","NA1512","Zukerman-Schpector, J.; Haiduc, Ionel; Camillo, Robinson L.; Comasseto, João V.; Cunha, Rodrigo L. O. R.; Caracelli, I.","Acetonyldichloro[(Z)-2-chloro-2-phenylvinyl]tellurium(IV), helical chains of metal complexes","Acta Crystallographica Section C","2001","57","6","749","750","10.1107/S0108270101004656","","","0.71073","MoKα","","0.0411","0.0252","","","","0.0714","","","","","","1.044","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00","" "2012045","13.51","0.003","18.014","0.007","16.795","0.005","90","","90","","90","","4087","2","173","1","173","1","","","","","","","","3","P b c n","-P 2n 2ab","60","","Dispiro[fluorene-9,5'-[1,2,3,4]tetrathiane-6',9''-fluorene]","","- C26 H16 S4 -","- C26 H16 S4 -","- C208 H128 S32 -","8","1","NA1515","Linden, Anthony; Gebert, Andreas; Heimgartner, Heinz","Dispiro[fluorene-9,5'-[1,2,3,4]tetrathiane-6',9''-fluorene]","Acta Crystallographica Section C","2001","57","6","764","766","10.1107/S0108270101005248","","","0.71069","MoKα","","0.0931","0.0422","","","","0.1162","","","","","","1.015","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00","" "2012046","9.655","0.0005","20.8077","0.0008","11.0793","0.0005","90","","102.388","0.005","90","","2173.99","0.18","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Methyl β-carboline-3-carboxylate.","","- C13 H10 N2 O2 -","- C13 H10 N2 O2 -","- C104 H80 N16 O16 -","8","2","SK1458","Kubicki, Maciej; Codding, Penelope W.","Form II of monoclinic methyl β-carboline-3-carboxylate","Acta Crystallographica Section C","2001","57","6","728","729","10.1107/S0108270101003171","","","1.54178","CuKα","","0.0492","0.0391","","","","0.0988","","","","","","1.219","","","","has coordinates","176760","2020-10-21","18:00:00","" "2012047","17.9277","0.001","15.2675","0.0008","7.662","0.003","90","","96.39","0.01","90","","2084.1","0.8","203","2","","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","N,N-Dimethylcarbamato-bis(η^2^-cyclooctene)iridium(I)","","- C19 H34 Ir N S2 -","- C19 H34 Ir N S2 -","- C76 H136 Ir4 N4 S8 -","4","0.5","SK1462","Dahlenburg, Lutz; Kühnlein, Michael","Bis(η^2^-cyclooctene)(N,N-dimethyldithiocarbamato-S,S')iridium(I), the first example of a tetracoordinate Ir^I^ complex containing two π-bonded monoolefin ligands","Acta Crystallographica Section C","2001","57","6","709","710","10.1107/S0108270101004954","","","0.71073","MoKα","","0.0267","0.0192","","","","0.0526","","","","","","1.228","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00","" "2012048","11.1819","0.0002","12.0934","0.0002","17.286","0.0002","107.693","0.001","96.349","0.001","109.896","0.001","2033.41","0.06","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C40 H36 N2 Ni O4 P2 S4 -","- C40 H36 N2 Ni O4 P2 S4 -","- C80 H72 N4 Ni2 O8 P4 S8 -","2","1","SK1464","Hao, Qingli; Fun, Hoong-Kun; Chantrapromma, Suchada; Razak, Ibrahim Abdul; Jian, Fangfang; Yang, Xujie; Lu, Lude; Wang, Xin","Bis(O,O'-di-p-tolyldithiophosphato-S,S')(1,10-phenanthroline-N,N')nickel(II)","Acta Crystallographica Section C","2001","57","6","717","718","10.1107/S0108270101005522","","","0.71073","MoKα","","0.0663","0.0482","","","","0.1198","","","","","","0.927","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00","" "2012049","10.2842","0.0003","14.9172","0.0004","13.0621","0.0004","90","","102.522","0.0011","90","","1956.21","0.1","150","2","150","2","","","","","","","","6","P 1 21 1","P 2yb","4","","μ-1,4-Benzenedicarboxylato-bis[trans-aqua(1,4,8,11-tetraazacyclotetradecane )nickel(II)] diperchlorate","","- C28 H56 Cl2 N8 Ni2 O14 -","- C28 H56 Cl2 N8 Ni2 O14 -","- C56 H112 Cl4 N16 Ni4 O28 -","2","1","SK1465","Zakaria, Choudhury M.; Ferguson, George; Lough, Alan J.; Glidewell, Christopher","μ-1,4-Benzenedicarboxylato-bis[trans-aqua(1,4,8,11-tetraazacyclotetradecane)nickel(II)] diperchlorate forms a three-dimensional hydrogen-bonded framework","Acta Crystallographica Section C","2001","57","6","683","686","10.1107/S0108270101003857","","","0.71073","MoKα","","0.075","0.041","","","","0.097","","","","","","1.012","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00","" "2012050","23.822","0.0003","16.0839","0.0003","15.6819","0.0003","90","","123.571","0.001","90","","5006.31","0.16","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C30 H24 Fe N3 O3 -","- C30 H24 Fe N3 O3 -","- C240 H192 Fe8 N24 O24 -","8","1","SK1467","Jian, Fangfang; Wang, Ying; Lu, Lude; Yang, Xujie; Wang, Xin; Chantrapromma, Suchada; Fun, Hoong-Kun; Razak, Ibrahim Abdul","(2-Methylquinolin-8-olato)iron(III) and -copper(II) complexes","Acta Crystallographica Section C","2001","57","6","714","716","10.1107/S0108270101005534","","","0.71073","MoKα","","0.088","0.0531","","","","0.1421","","","","","","0.939","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00","" "2012051","7.5388","0.0002","9.1091","0.0001","24.8514","0.0006","90","","90","","90","","1706.59","0.06","293","2","293","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C20 H18 Cu N2 O3 -","- C20 H18 Cu N2 O3 -","- C80 H72 Cu4 N8 O12 -","4","0.5","SK1467","Jian, Fangfang; Wang, Ying; Lu, Lude; Yang, Xujie; Wang, Xin; Chantrapromma, Suchada; Fun, Hoong-Kun; Razak, Ibrahim Abdul","(2-Methylquinolin-8-olato)iron(III) and -copper(II) complexes","Acta Crystallographica Section C","2001","57","6","714","716","10.1107/S0108270101005534","","","0.71073","MoKα","","0.1154","0.0884","","","","0.2393","","","","","","1.074","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00","" "2012052","6.088","0.002","11.9486","0.0015","15.022","0.012","90","","107.54","0.04","90","","1041.9","0.9","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","betainium trifluoroacetate","N,N,N-trimethylglycinium-trifluoroacetate","","- C7 H12 F3 N O4 -","- C7 H12 F3 N O4 -","- C28 H48 F12 N4 O16 -","4","1","SK1468","Rodrigues, V. H.; Paixão, J. A.; Costa, M.M.R.R.; Matos Beja, A.","Betainium trifluoroacetate","Acta Crystallographica Section C","2001","57","6","761","763","10.1107/S0108270101004966","","","0.71073","MoKα","","0.0612","0.0389","","","","0.1239","","","","","","1.028","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00","" "2012053","11.39","0.0002","21.2256","0.0006","11.7248","0.0003","90","","118.214","0.0012","90","","2497.79","0.11","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Ferrocenecarboxylic acid‒1,4-diazabicyclo[2.2.2]octane (2/1)","","- C28 H32 Fe2 N2 O4 -","- C28 H32 Fe2 N2 O4 -","- C112 H128 Fe8 N8 O16 -","4","1","SK1469","Zakaria, Choudhury M.; Ferguson, George; Lough, Alan J.; Glidewell, Christopher","Ferrocenecarboxylic acid‒1,4-diazabicyclo[2.2.2]octane (2/1): sheets built from O—H···N and C—H···O hydrogen bonds","Acta Crystallographica Section C","2001","57","6","687","689","10.1107/S0108270101004978","","","0.71073","MoKα","","0.0944","0.0443","","","","0.1037","","","","","","0.985","","","","has coordinates","176760","2020-10-21","18:00:00","" "2012054","7.5083","0.0002","11.614","0.0003","12.6644","0.0003","93.862","0.001","98.759","0.001","94.527","0.001","1084.53","0.05","293","","293","","","","","","","","","4","P -1","-P 1","2","","Ethyl 1,4-dihydro-2,4,6-triphenylpyridine-3-carboxylate","","- C26 H23 N O2 -","- C26 H23 N O2 -","- C52 H46 N2 O4 -","2","1","SK1471","Bolte, Michael","Dimorphism of ethyl 1,4-dihydro-2,4,6-triphenylpyridine-3-carboxylate","Acta Crystallographica Section C","2001","57","6","772","774","10.1107/S0108270101005546","","","0.71073","MoKα","","0.064","0.053","","","","0.141","","","","","","1.098","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00","" "2012055","7.5178","0.0001","10.0669","0.0002","14.6364","0.0002","73.534","0.001","80.826","0.001","81.478","0.001","1042.46","0.03","163","","163","","","","","","","","","4","P -1","-P 1","2","","Ethyl 1,4-dihydro-2,4,6-triphenylpyridine-3-carboxylate","","- C26 H23 N O2 -","- C26 H23 N O2 -","- C52 H46 N2 O4 -","2","1","SK1471","Bolte, Michael","Dimorphism of ethyl 1,4-dihydro-2,4,6-triphenylpyridine-3-carboxylate","Acta Crystallographica Section C","2001","57","6","772","774","10.1107/S0108270101005546","","","0.71073","MoKα","","0.044","0.036","","","","0.095","","","","","","1.03","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00","" "2012056","23.525","0.007","8.2344","0.0008","15.841","0.005","90","","127.996","0.014","90","","2418.2","1.2","296","2","296","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","dibromobis(hexamethylphosphoric triamide)cobalt(II)","","- C12 H36 Br2 Co N6 O2 P2 -","- C12 H36 Br2 Co N6 O2 P2 -","- C48 H144 Br8 Co4 N24 O8 P8 -","4","0.5","SK1472","Suzuki, Honoh; Yuriko, Abe; Ishiguro, Shin-ichi","Complex of cobalt(II) bromide with hexamethylphosphoric triamide","Acta Crystallographica Section C","2001","57","6","721","722","10.1107/S0108270101005960","","","0.71073","MoKα","","0.1066","0.0553","","","","0.2121","","","","","","1.256","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00","" "2012057","8.45","0.001","11.665","0.002","14.93","0.003","75.44","0.02","76.65","0.02","86.44","0.02","1385.9","0.4","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","3-[(2-hydroxyethoxy)methyl]-6-methyl-3H-imidazol[1,2-a]purin-9(5H)-one","","- C11 H17 N5 O5 -","- C11 H17 N5 O5 -","- C44 H68 N20 O20 -","4","2","SX1107","Suwińska, Kinga; Golankiewicz, Bożenna; Zielenkiewicz, Wojciech","Water molecules in the crystal structure of tricyclic acyclovir","Acta Crystallographica Section C","2001","57","6","767","769","10.1107/S0108270101005364","","","0.71073","MoKα","","0.145","0.062","","","","0.155","","","","","","1.018","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00","" "2012058","12.988","0.001","21.823","0.002","23.542","0.004","90","","90.84","0.01","90","","6672","1.4","298","2","298","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","catena-poly[europium(III)-tri-μ-4-methylbenzoato-O:O,O';O:O,O';O,O':O']","","- C24 H21 Eu O6 -","- C24 H21 Eu O6 -","- C288 H252 Eu12 O72 -","12","3","VJ1129","Jin, Qiong-Hua; Li, Xia; Zou, Ying-Quan; Yu, Kai-Bei","catena-Poly[europium-tri-μ-4-methylbenzoato]","Acta Crystallographica Section C","2001","57","6","676","677","10.1107/S0108270101003560","","","0.71073","MoKα","","","0.0305","","","","0.0597","","","","","","0.896","","","","has coordinates","249787","2020-10-21","18:00:00","" "2012059","12.554","0.0003","7.4686","0.0002","8.2628","0.0003","90","","100.272","0.0013","90","","762.31","0.04","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","poly[copper(II)-di-μ-hypophosphito-μ-urea]","","- C H8 Cu N2 O5 P2 -","- C H8 Cu N2 O5 P2 -","- C4 H32 Cu4 N8 O20 P8 -","4","0.5","AV1072","Naumov, Dmitry Yu.; Yufit, Dmitrii S.; Boldyreva, Elena V.; Howard, Judith A. K.","A urea complex of copper(II) hypophosphite at 293, 100 and 15K","Acta Crystallographica Section C","2001","57","7","790","792","10.1107/S0108270101004711","","","0.71073","MoKα","","0.028","0.026","","","","0.076","","","","","","1.119","","","","has coordinates","176760","2020-10-21","18:00:00","" "2012060","12.3589","0.0003","7.4464","0.0002","8.2199","0.0002","90","","99.8369","0.0014","90","","745.35","0.03","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","poly[copper(II)-di-μ-hypophosphito-μ-urea]","","- C H8 Cu N2 O5 P2 -","- C H8 Cu N2 O5 P2 -","- C4 H32 Cu4 N8 O20 P8 -","4","0.5","AV1072","Naumov, Dmitry Yu.; Yufit, Dmitrii S.; Boldyreva, Elena V.; Howard, Judith A. K.","A urea complex of copper(II) hypophosphite at 293, 100 and 15K","Acta Crystallographica Section C","2001","57","7","790","792","10.1107/S0108270101004711","","","0.71073","MoKα","","0.023","0.022","","","","0.057","","","","","","1.12","","","","has coordinates","176760","2020-10-21","18:00:00","" "2012061","12.297","0.003","7.435","0.001","8.197","0.002","90","","99.72","0.01","90","","738.7","0.3","15","1","15","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","poly[copper(II)-di-μ-hypophosphito-μ-urea]","","- C H8 Cu N2 O5 P2 -","- C H8 Cu N2 O5 P2 -","- C4 H32 Cu4 N8 O20 P8 -","4","0.5","AV1072","Naumov, Dmitry Yu.; Yufit, Dmitrii S.; Boldyreva, Elena V.; Howard, Judith A. K.","A urea complex of copper(II) hypophosphite at 293, 100 and 15K","Acta Crystallographica Section C","2001","57","7","790","792","10.1107/S0108270101004711","","","0.71073","MoKα","","0.024","0.024","","","","0.063","","","","","","1.23","","","","has coordinates","176760","2020-10-21","18:00:00","" "2012062","10.378","0.002","9.725","0.002","12.699","0.003","90","","99.195","0.007","90","","1265.2","0.5","110","0.2","110","0.2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","3-phenyl-1,2-dicarba-closo-dodecaborane(12)","3-phenyl-1,2-dicarba-closo-dodecaborane(12)","","- C8 H16 B10 -","- C8 H16 B10 -","- C32 H64 B40 -","4","1","AV1073","Grintselev-Knyazev, Gennadii V.; Lyssenko, Konstantin A.; Antipin, Mikhail Yu.; Knyazev, Sergey P.; Kirin, Valerii N.; Chernyshev, Eugenii A.","Two isostructural carboranes: 3-phenyl-1,2-dicarba-closo-dodecaborane(12) and 1-phenyl-1,7-dicarba-closo-dodecaborane(12)","Acta Crystallographica Section C","2001","57","7","827","829","10.1107/S0108270101005455","","","0.71073","MoKα","","0.071","0.047","","","","0.142","","","","","","0.955","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00","" "2012063","10.35","0.002","9.449","0.002","13.763","0.003","90","","106.07","0.03","90","","1293.4","0.5","163","2","163","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","1-phenyl-1,7-dicarba-closo-dodecaborane(12)","1-phenyl-1,7-dicarba-closo-dodecaborane(12)","","- C8 H16 B10 -","- C8 H16 B10 -","- C32 H64 B40 -","4","1","AV1073","Grintselev-Knyazev, Gennadii V.; Lyssenko, Konstantin A.; Antipin, Mikhail Yu.; Knyazev, Sergey P.; Kirin, Valerii N.; Chernyshev, Eugenii A.","Two isostructural carboranes: 3-phenyl-1,2-dicarba-closo-dodecaborane(12) and 1-phenyl-1,7-dicarba-closo-dodecaborane(12)","Acta Crystallographica Section C","2001","57","7","827","829","10.1107/S0108270101005455","","","0.71073","MoKα","","0.126","0.049","","","","0.115","","","","","","0.879","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00","" "2012064","14.232","0.012","14.232","0.012","14.232","0.012","90","","90","","90","","2883","4","180","2","180","2","","","","","","","","4","P a -3","-P 2ac 2ab 3","205","","tris-tert.-butyl-phosphine sulfide","","- C12 H27 P S -","- C12 H27 P S -","- C96 H216 P8 S8 -","8","0.333333","BJ1020","Steinberger, Hans-Uwe; Ziemer, Burkhard; Meisel, Manfred","Tris(tert-butyl)phosphine sulfide, a phosphine sulfide with three bulky substituents","Acta Crystallographica Section C","2001","57","7","835","837","10.1107/S0108270101005959","","","0.71073","MoKα","","0.072","0.063","","","","0.136","","","","","","1.329","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00","" "2012065","3.828","0.0005","12.7738","0.0016","21.203","0.003","90","","91.118","0.014","90","","1036.6","0.2","296","","296","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H12 Cl2 N4 O8 -","- C18 H12 Cl2 N4 O8 -","- C36 H24 Cl4 N8 O16 -","2","0.5","BK1601","Ishida, Hiroyuki; Rahman, Bilkish; Kashino, Setsuo","2:1 Complexes of 2-chloro-4-nitrobenzoic acid and 2-chloro-5-nitrobenzoic acid with pyrazine","Acta Crystallographica Section C","2001","57","7","876","879","10.1107/S0108270101007016","","","0.71073","MoKα","","0.077","0.057","","0.074","","0.063","","","1.38","","","1.38","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00","" "2012066","10.293","0.004","7.276","0.002","13.818","0.006","90","","105.17","0.03","90","","998.8","0.7","293","","293","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H12 Cl2 N4 O8 -","- C18 H12 Cl2 N4 O8 -","- C36 H24 Cl4 N8 O16 -","2","0.5","BK1601","Ishida, Hiroyuki; Rahman, Bilkish; Kashino, Setsuo","2:1 Complexes of 2-chloro-4-nitrobenzoic acid and 2-chloro-5-nitrobenzoic acid with pyrazine","Acta Crystallographica Section C","2001","57","7","876","879","10.1107/S0108270101007016","","","0.71073","MoKα","","0.072","0.051","","0.07","","0.061","","","1.33","","","1.33","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00","" "2012067","11.7643","0.0005","8.2154","0.0004","16.5207","0.0006","90","","104.1","0.02","90","","1548.59","0.18","120","2","120","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","(E)-5-[Hydroxyimino(phenyl)methyl]-1-methyl-3,4-dihydro-2H-pyrrolium trifluoromethanesulfonate","","- C13 H15 F3 N2 O4 S -","- C13 H15 F3 N2 O4 S -","- C52 H60 F12 N8 O16 S4 -","4","1","BM1441","Coustard, Jean-Marie; Le Toquin, Ronan; Leo, Roland; Paulus, Werner; Cousson, Alain","(E)-5-[Hydroxyimino(phenyl)methyl]-1-methyl-3,4-dihydro-2H-pyrrolium trifluoromethanesulfonate","Acta Crystallographica Section C","2001","57","7","815","816","10.1107/S0108270100020448","","","0.71073","MoKα","","","0.044","","","","0.0544","","","","","","1.0257","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00","" "2012068","8.6689","0.0008","17.6441","0.0016","9.6101","0.0008","90","","93.283","0.003","90","","1467.5","0.2","133","2","133","2","","","","","","","","4","P 1 21 1","P 2yb","4","","4-pyridone 6/5 hydrate","","- C5 H7.4 N O2.2 -","- C5 H7.4 N O2.2 -","- C50 H74 N10 O22 -","10","5","BM1453","Jones, Peter G.","A simple compound with an unexpectedly complex structure: 4-pyridone 6/5-hydrate","Acta Crystallographica Section C","2001","57","7","880","882","10.1107/S0108270101008228","","","0.71073","MoKα","","0.0514","0.0344","","","","0.0899","","","","","","0.959","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00","" "2012069","10.6601","0.0005","10.5515","0.0005","14.5604","0.0006","90","","90","","90","","1637.75","0.13","150","2","150","2","","","","","","","","2","P b c a","-P 2ac 2ab","61","","1,1'-bis(nido-decaboranyl)","","- B20 H26 -","- B20 H26 -","- B80 H104 -","4","0.5","BR1315","Bould, Jonathan; William Clegg; Kennedy, John D.; Simon J. Teat","Isomeric icosaboranes B~20~H~26~: the synchrotron structure of 1,1'-bis(nido-decaboranyl)","Acta Crystallographica Section C","2001","57","7","779","780","10.1107/S0108270101003407","","","0.689","synchrotron","","0.0781","0.0558","","","","0.1503","","","","","","1.086","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00","" "2012070","30.3799","0.0009","11.2402","0.0003","11.5366","0.0003","90","","105.961","0.001","90","","3787.6","0.18","173.2","","","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C30 H33 N6 Ni2 O16.5 V4 -","- C30 H24 N6 Ni2 O16.5 V4 -","- C120 H96 N24 Ni8 O66 V16 -","4","0.5","BR1320","Yang, Lan; Hu, Changwen; Naruke, Haruo; Yamase, Toshihiro","A three-dimensional inorganic/organic hybrid material, [Ni~2~(4,4'-bipy)~3~(H~2~O)~2~V~4~O~12~]·2.5H~2~O","Acta Crystallographica Section C","2001","57","7","799","801","10.1107/S0108270101006229","","","0.7107","MoKα","","","0.0422","","","","0.1141","","","","","","1.399","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00","" "2012071","7.8249","0.0008","7.493","0.0007","16.9248","0.0017","90","","90","","105.041","0.011","958.34","0.17","298","","298","","","","","","","","","3","P 1 1 21","P 2c","4","","strontium magnesium tetrafluoride","","- F4 Mg Sr -","- F4 Mg Sr -","- F48 Mg12 Sr12 -","12","6","BR1328","Ishizawa, Nobuo; Suda, Katsumi; Etschmann, Barbara E.; Oya, Takashi; Kodama, Nobuhiro","Monoclinic superstructure of SrMgF~4~ with perovskite-type slabs","Acta Crystallographica Section C","2001","57","7","784","786","10.1107/S0108270101006667","","","0.71073","MoKα","","0.048","0.044","","0.039","","0.037","","","3.203","","","3.144","","","","has coordinates","176432","2020-10-21","18:00:00","" "2012072","9.9329","0.0012","15.8778","0.0011","11.8793","0.001","90","","112.2","0.003","90","","1734.6","0.3","301","2","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C19 H20 N2 Ni O2 -","- C19 H20 N2 Ni O2 -","- C76 H80 N8 Ni4 O8 -","4","1","BR1331","Arici, Cengiz; Ercan, Filiz; Kurtaran, Raif; Atakol, Orhan","[N,N'-Bis(salicylidene)-2,2-dimethyl-1,3-propanediaminato]nickel(II) and [N,N'-bis(salicylidene)-2,2-dimethyl-1,3-propanediaminato]copper(II)","Acta Crystallographica Section C","2001","57","7","812","814","10.1107/S0108270101008150","","","1.5418","CuKα","","","0.036","","","","0.106","","","","","","1.01","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00","" "2012073","9.7452","0.0012","17.2276","0.0014","11.3606","0.001","90","","112.981","0.003","90","","1755.9","0.3","301","2","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C19 H20 Cu N2 O2 -","- C19 H20 Cu N2 O2 -","- C76 H80 Cu4 N8 O8 -","4","1","BR1331","Arici, Cengiz; Ercan, Filiz; Kurtaran, Raif; Atakol, Orhan","[N,N'-Bis(salicylidene)-2,2-dimethyl-1,3-propanediaminato]nickel(II) and [N,N'-bis(salicylidene)-2,2-dimethyl-1,3-propanediaminato]copper(II)","Acta Crystallographica Section C","2001","57","7","812","814","10.1107/S0108270101008150","","","1.5418","CuKα","","","0.038","","","","0.106","","","","","","1.04","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00","" "2012074","13.318","0.001","15.217","0.002","17.965","0.001","90","","90","","90","","3640.8","0.6","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","azaadamantanone","2,9-Bis(3-nitrophenyl)-1-azatricyclo[3.3.1.1^3,7^]decan-4-one","","- C21 H19 N3 O5 -","- C21 H19 N3 O5 -","- C168 H152 N24 O40 -","8","1","DA1181","Jiménez-Cruz, Federico; Cetina-Rosado, Raúl; Hernández-Ortega, Simón; Alfredo Toscano, Rubén; Ríos-Olivares, Héctor","2,9-Bis(3-nitrophenyl)-1-azaadamantan-4-one","Acta Crystallographica Section C","2001","57","7","868","869","10.1107/S0108270101007612","","","0.71073","MoKα","","0.098","0.058","","","","0.133","","","","","","1.001","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00","" "2012075","16.997","0.002","8.441","0.001","17.763","0.001","90","","92.57","0.01","90","","2545.9","0.4","293","2","293","2","","","","","","","","3","C 1 2 1","C 2y","5","Amarisolide Monohydrate","2β-O-β-D-glucopyranosyl neo-cleroda-2,13(16),14-trien-15,16-epoxy- 18,19-olide","","- C26 H38 O10 -","- C26 H38 O10 -","- C104 H152 O40 -","4","1","DA1187","Toscano, Rubén A.; Maldonado, Emma; Ortega, Alfredo; Cárdenas, Jorge","Amarisolide monohydrate, a 2-(β-glucosyl)neoclerodane","Acta Crystallographica Section C","2001","57","7","846","847","10.1107/S0108270101006217","","","0.71073","MoKα","","0.109","0.0616","","","","0.1434","","","","","","1.028","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00","" "2012076","4.86","0.006","7.603","0.01","13.242","0.002","85.47","0.01","84.06","0.02","75.19","0.01","469.8","0.9","293","2","293","2","","","","","","","","4","P 1","P 1","1","lactosyl acetamide","β-1-N-Acetamido-(4-O-β-D-galactopyranosyl)-D-glucopyranose dihydrate","","- C14 H29 N O13 -","- C14 H29 N O13 -","- C14 H29 N O13 -","1","1","DE1160","Lakshmanan, Thiruneelakantan; Sriram, Desikan; Loganathan, Duraikannu","β-1-Acetamido-4-O-β-D-galactopyranosyl-D-glucopyranose dihydrate","Acta Crystallographica Section C","2001","57","7","825","826","10.1107/S0108270101004796","","","0.71073","MoKα","","0.0282","0.0269","","","","0.0719","","","","","","1.043","","","","has coordinates","176760","2020-10-21","18:00:00","" "2012077","10.046","0.0008","12.4964","0.001","12.7901","0.001","92.488","0.002","110.247","0.002","99.408","0.002","1477.5","0.2","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","meso-5,7,7,12,14,14-hexamethyl-1,4,8,11-tetraazacyclotetradecane nickel(II) 1,2-phenylenebis(oxamato)cuprate(II) dihydrate","","- C26 H44 N6 Ni2 O8 -","- C26 H41 N6 Ni2 O8 -","- C52 H82 N12 Ni4 O16 -","2","1","DE1170","Gao, En-Qing; Liao, Dai-Zheng; Jiang, Zong-Hui; Yan, Shi-Ping","A novel hydrogen-bonded microporous framework constructed from two different metal complexes","Acta Crystallographica Section C","2001","57","7","807","809","10.1107/S0108270101006849","","","0.71073","MoKα","","0.0398","0.0322","","","","0.0913","","","","","","1.043","","","","has coordinates","176760","2020-10-21","18:00:00","" "2012078","6.75","0.001","10.839","0.001","14.858","0.001","80.537","0.002","88.717","0.001","73.409","0.002","1027.28","0.19","110","2","110","2","","","","","","","","7","P -1","-P 1","2","compound 1","η^6^-benzo-{2,4-Dimethyl-3-phenyl-[2'-methyl-3'-chloro]-7-chloro- 8-methyl-2,4-dibora-1,3-diazaronaphthalene}chromium Tricarbonyl","","- C19 H18 B2 Cl2 Cr N2 O3 -","- C19 H18 B2 Cl2 Cr N2 O3 -","- C38 H36 B4 Cl4 Cr2 N4 O6 -","2","1","FG1625","Abouhamza, Bahija; Ait Ali, Mustapha; Allaoud, Smaïl; Blacque, Olivier; Frange, Bernard; Karim, Abdallah","Two atropisomers of tricarbonyl[η^6^-7-chloro-3-(3-chloro-2-methylphenyl)-2,4,8-trimethyl-1,2,3,4-tetrahydro-2,4-dibora-1,3-diazanaphthalene]chromium(0)","Acta Crystallographica Section C","2001","57","7","796","798","10.1107/S0108270101006187","","","0.71073","MoKα","","0.0416","0.0311","","","","0.0763","","","","","","0.816","","","","has coordinates","176760","2020-10-21","18:00:00","" "2012079","25.666","0.001","7.029","0.0003","25.366","0.001","90","","112.907","0.002","90","","4215.3","0.3","110","2","110","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","compound 2","η^6^-benzo-{2,4-Dimethyl-3-phenyl-[2'-methyl-3'-chloro]-7-chloro- 8-methyl-2,4-dibora-1,3-diazaronaphthalene}chromium Tricarbonyl","","- C19 H18 B2 Cl2 Cr N2 O3 -","- C19 H18 B2 Cl2 Cr N2 O3 -","- C152 H144 B16 Cl16 Cr8 N16 O24 -","8","1","FG1625","Abouhamza, Bahija; Ait Ali, Mustapha; Allaoud, Smaïl; Blacque, Olivier; Frange, Bernard; Karim, Abdallah","Two atropisomers of tricarbonyl[η^6^-7-chloro-3-(3-chloro-2-methylphenyl)-2,4,8-trimethyl-1,2,3,4-tetrahydro-2,4-dibora-1,3-diazanaphthalene]chromium(0)","Acta Crystallographica Section C","2001","57","7","796","798","10.1107/S0108270101006187","","","0.71073","MoKα","","0.0438","0.0341","","","","0.087","","","","","","1.047","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00","" "2012080","8.5979","0.0009","10.109","0.001","18.9828","0.0018","90","","90","","90","","1649.9","0.3","173","2","173","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C20 H22 O4 -","- C20 H22 O4 -","- C80 H88 O16 -","4","1","FG1630","Clark, Robert W.; Guzei, Ilia A.; Ivanov, Sergei A.; Burke, Steven D.; Lambert, William T.","The lack of C2 molecular symmetry in (1R,2R,3S,6S)-3,6-dibenzyloxycyclohex-4-ene-1,2-diol","Acta Crystallographica Section C","2001","57","7","844","845","10.1107/S0108270101006199","","","0.71073","MoKα","","0.0393","0.0329","","","","0.079","","","","","","1.002","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00","" "2012081","6.3867","0.0005","20.9583","0.0017","7.1413","0.0006","90","","100.272","0.005","90","","940.57","0.13","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","perfluoronaphthalene-tolan","Octafluoronaphthalene-diphenylacetylene (1:1)","","- C24 H10 F8 -","- C24 H10 F8 -","- C48 H20 F16 -","2","0.5","FG1634","Collings, Jonathan C.; Batsanov, Andrei S.; Howard, Judith A. K.; Marder, Todd B.","Octafluoronaphthalene‒diphenylacetylene (1/1)","Acta Crystallographica Section C","2001","57","7","870","872","10.1107/S0108270101007557","","","0.71073","MoKα","","0.047","0.038","","","","0.089","","","","","","1.073","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00","" "2012082","8.841","0.003","6.283","0.003","14.646","0.004","90","","103.45","0.02","90","","791.2","0.5","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","gibberic acid monohydrate","1,7-dimethyl-8-oxo-4bα,7α-gibba-1,3,4a(10a)-triene-10β-carboxylic acid monohydrate","","- C18 H22 O4 -","- C18 H22 O4 -","- C36 H44 O8 -","2","1","FR1327","Thompson, Hugh W.; Lalancette, Roger A.","(‒)-Gibberic acid: hydrogen-bonding pattern of the monohydrate of a non-racemic tetracyclic δ-keto acid derivative of gibberellin A~3~","Acta Crystallographica Section C","2001","57","7","841","843","10.1107/S0108270101006059","","","0.71073","MoKα","","0.068","0.041","","","","0.084","","","","","","1","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00","" "2012083","8.2527","0.0013","7.3864","0.0012","8.5085","0.0014","90","","108.947","0.002","90","","490.56","0.14","173","2","173","2","","","","","","","","6","P 1 2/n 1","-P 2yac","13","","Potassium bis(carbonato-O,O')(ethylenediamine-N,N')cobaltate(III) monohydrate","","- C4 H10 Co K N2 O7 -","- C4 H10 Co K N2 O7 -","- C8 H20 Co2 K2 N4 O14 -","2","0.5","FR1331","Belai, Nebebech; Dickman, Michael H.; Pope, Michael T.","Potassium bis(carbonato-O,O')(ethylenediamine-N,N')cobaltate(III) monohydrate at 173K","Acta Crystallographica Section C","2001","57","7","802","803","10.1107/S0108270101006692","","","0.71073","MoKα","","0.0221","0.0208","","","","0.0573","","","","","","1.073","","","","has coordinates","176760","2020-10-21","18:00:00","" "2012084","9.45","0.002","13.689","0.003","6.439","0.001","90","","103.35","0.03","90","","810.4","0.3","150","2","150","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","2-Amino-4-(pyrid-4-yl)pyrimidine","","- C9 H8 N4 -","- C9 H8 N4 -","- C36 H32 N16 -","4","1","GG1041","Daniel E. Lynch; Ian McClenaghan","2-Amino-4-(4-pyridyl)pyrimidine and the 1:1 adduct with 4-aminobenzoic acid","Acta Crystallographica Section C","2001","57","7","830","832","10.1107/S0108270101005819","","","0.71073","MoKα","","0.065","0.047","","","","0.132","","","","","","1.03","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00","" "2012085","7.881","0.002","26.354","0.005","7.297","0.002","90","","102.04","0.03","90","","1482.2","0.6","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2-Amino-4-(pyrid-4-yl)pyrimidine 4-aminobenzoic acid","","- C16 H15 N5 O2 -","- C16 H15 N5 O2 -","- C64 H60 N20 O8 -","4","1","GG1041","Daniel E. Lynch; Ian McClenaghan","2-Amino-4-(4-pyridyl)pyrimidine and the 1:1 adduct with 4-aminobenzoic acid","Acta Crystallographica Section C","2001","57","7","830","832","10.1107/S0108270101005819","","","0.71073","MoKα","","0.077","0.048","","","","0.123","","","","","","1.03","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00","" "2012086","17.5109","0.0009","9.5222","0.0005","10.3232","0.0005","90","","90","","90","","1721.31","0.15","295","2","295","2","","","","","","","","4","P n a 21","P 2c -2n","33","","(2-thioxo-1,3-dithiole-4,5-dithiolato-S,S')diphenylplumbane","","- C15 H10 Pb S5 -","- C15 H10 Pb S5 -","- C60 H40 Pb4 S20 -","4","1","GG1047","Skakle, Janet M. S.; Wardell, James L.; Wardell, Solange M. S. V.","Diphenyl(2-thioxo-1,3-dithiole-4,5-dithiolato-S,S')plumbane at 295K and diphenyl(2-thioxo-1,3-dithiole-4,5-dithiolato-S,S')stannane at 150K","Acta Crystallographica Section C","2001","57","7","787","789","10.1107/S0108270101004474","","","0.71073","MoKα","","0.106","0.055","","","","0.14","","","","","","1.01","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00","" "2012087","17.3574","0.0005","9.227","0.0002","10.3775","0.0002","90","","90","","90","","1662.03","0.07","150","2","150","2","","","","","","","","4","P n a 21","P 2c -2n","33","","(2-thioxo-1,3-dithiole-4,5-dithiolato-S,S')diphenylstannane","","- C15 H10 S5 Sn -","- C15 H10 S5 Sn -","- C60 H40 S20 Sn4 -","4","1","GG1047","Skakle, Janet M. S.; Wardell, James L.; Wardell, Solange M. S. V.","Diphenyl(2-thioxo-1,3-dithiole-4,5-dithiolato-S,S')plumbane at 295K and diphenyl(2-thioxo-1,3-dithiole-4,5-dithiolato-S,S')stannane at 150K","Acta Crystallographica Section C","2001","57","7","787","789","10.1107/S0108270101004474","","","0.71073","MoKα","","0.032","0.028","","","","0.061","","","","","","1.08","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00","" "2012088","10.654","0.002","10.0701","0.0008","10.262","0.0009","91.446","0.0008","109.639","0.002","112.649","0.002","941.7","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","trans-chloromethylbis(tricyclohexylphosphine)platinum(II)","","- C37 H69 Cl P2 Pt -","- C37 H69 Cl P2 Pt -","- C37 H69 Cl P2 Pt -","1","0.5","GG1050","Otto, Stefanus","trans-Chloro(methyl)bis(tricyclohexylphosphine)platinum(II)","Acta Crystallographica Section C","2001","57","7","793","795","10.1107/S0108270101006035","","","0.71073","MoKα","","0.041","0.034","","","","0.076","","","","","","1.001","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00","" "2012089","8.169","0.002","11.042","0.003","13.745","0.004","90","","101.89","0.01","90","","1213.2","0.6","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","2-(N,N-Dimethylamino)-biphenyl-2'-carboxaldehyde","","- C15 H15 N O -","- C15 H15 N O -","- C60 H60 N4 O4 -","4","1","GG1051","O'Leary, Jane; Wallis, John D.; Wood, Michael L.","1,6-Interactions between dimethylamino and aldehyde groups in two biphenyl derivatives","Acta Crystallographica Section C","2001","57","7","851","853","10.1107/S0108270101006369","","","0.71073","MoKα","","0.067","0.051","","","","0.126","","","","","","1.08","","","","has coordinates","201957","2020-10-21","18:00:00","" "2012090","14.161","0.003","27.913","0.006","6.7018","0.0013","90","","90","","90","","2649.1","1","150","2","150","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","2-(N,N-Dimethylamino)-biphenyl-2',6'-dicarboxaldehyde","","- C16 H15 N O2 -","- C16 H15 N O2 -","- C128 H120 N8 O16 -","8","2","GG1051","O'Leary, Jane; Wallis, John D.; Wood, Michael L.","1,6-Interactions between dimethylamino and aldehyde groups in two biphenyl derivatives","Acta Crystallographica Section C","2001","57","7","851","853","10.1107/S0108270101006369","","","0.71073","MoKα","","0.074","0.044","","","","0.1","","","","","","0.97","","","","has coordinates","201957","2020-10-21","18:00:00","" "2012091","7.265","0.001","8.361","0.001","8.885","0.001","74.95","0.01","86.04","0.01","77.87","0.01","509.49","0.11","130","2","","","","","","","","","","7","P 1","P 1","1","","","","- C5 H11 Cl2 N O2 Pt S -","- C5 H11 Cl2 N O2 Pt S -","- C10 H22 Cl4 N2 O4 Pt2 S2 -","2","2","GG1053","Llorca, Jordi; Molins, Elies; Espinosa, Enrique; Mata, Ignasi; Miravitlles, Carles; Cervantes, Gemma; Caubet, Amparo; Moreno, Virtudes","Dichloro(D-methionine-N,S)platinum(II) at 130K","Acta Crystallographica Section C","2001","57","7","804","806","10.1107/S0108270101006874","","","0.71069","MoKα","","","0.038","","","","0.097","","","","","","1.034","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00","" "2012092","14.343","0.002","12.778","0.003","7.798","0.002","90","","102.772","0.018","90","","1393.8","0.5","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Potassium tetrathiocyanatoargentate","Tripotassium tetrathiocyanatosilver(I)","","- C4 Ag K3 N4 S4 -","- C4 Ag K3 N4 S4 -","- C16 Ag4 K12 N16 S16 -","4","1","IZ1011","Krautscheid, Harald; Gerber, Stefan","Potassium thiocyanate argentates: K~3~[Ag(SCN)~4~], K~4~[Ag~2~(SCN)~6~] and K[Ag(SCN)~2~]","Acta Crystallographica Section C","2001","57","7","781","783","10.1107/S0108270101005650","","","0.71069","MoKα","","0.046","0.027","","","","0.059","","","","","","1.103","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00","" "2012093","9.8701","0.0006","20.0893","0.0008","10.6229","0.0007","90","","105.494","0.008","90","","2029.8","0.2","213","2","213","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","Tetrapotassium hexathiocyanatodiargentate","Tetrapotassium di-μ-thiocyanato-S:S-bis[dicyanatosilver(I)]","","- C6 Ag2 K4 N6 S6 -","- C6 Ag2 K4 N6 S6 -","- C24 Ag8 K16 N24 S24 -","4","1","IZ1011","Krautscheid, Harald; Gerber, Stefan","Potassium thiocyanate argentates: K~3~[Ag(SCN)~4~], K~4~[Ag~2~(SCN)~6~] and K[Ag(SCN)~2~]","Acta Crystallographica Section C","2001","57","7","781","783","10.1107/S0108270101005650","","","0.56087","AgKα","","0.039","0.035","","","","0.085","","","","","","1.045","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00","" "2012094","17.9382","0.0014","10.7801","0.0008","6.6879","0.0006","90","","90","","90","","1293.28","0.18","213","2","213","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","Potassium dithiocyanatoargentate","Potassium [silver(I)-di-μ-thiocyanato-S:S]","","- C2 Ag K N2 S2 -","- C2 Ag K N2 S2 -","- C16 Ag8 K8 N16 S16 -","8","1","IZ1011","Krautscheid, Harald; Gerber, Stefan","Potassium thiocyanate argentates: K~3~[Ag(SCN)~4~], K~4~[Ag~2~(SCN)~6~] and K[Ag(SCN)~2~]","Acta Crystallographica Section C","2001","57","7","781","783","10.1107/S0108270101005650","","","0.71069","MoKα","","0.023","0.02","","","","0.046","","","","","","1.131","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00","" "2012095","17.444","0.002","9.6329","0.0009","12.68","0.001","90","","110.245","0.002","90","","1999.1","0.3","120","","120","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","5-(2-Pyridyl)-1,3-dithiane-2-thione","","- C9 H9 N S3 -","- C9 H9 N S3 -","- C72 H72 N8 S24 -","8","2","JZ1452","Alan Hazell, Alan; McKenzie, Christine J.; Nielsen, Jimmi","5-(2-Pyridyl)-1,3-dithiane-2-thione","Acta Crystallographica Section C","2001","57","7","859","860","10.1107/S0108270101008198","","","0.71073","MoKα","","","0.024","","","","0.034","","","","","","1.269","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00","" "2012096","17.561","0.002","16.728","0.003","17.408","0.006","90","","102.42","0.02","90","","4994","2","203","2","203","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","bis-(octacarbonyl-μ-dicyclohexylphosphido-dirhenium)- dicarbonyl-platinum","","- C42 H44 O18 P2 Pt Re4 -","- C42 H44 O18 P2 Pt Re4 -","- C168 H176 O72 P8 Pt4 Re16 -","4","1","JZ1465","Haupt, Hans-Jürgen; Flörke, Ulrich; Klose, Stefanie","A pseudo-trigonal bipyramidally coordinated Pt atom in dicarbonylbis(octacarbonyl-μ-dicyclohexylphosphidodirhenio)platinum(II)","Acta Crystallographica Section C","2001","57","7","810","811","10.1107/S0108270101007399","","","0.71073","MoKα","","0.1606","0.0592","","","","0.1698","","","","","","0.974","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00","" "2012097","7.8578","0.0005","5.4516","0.0006","12.8276","0.0007","90","","94.73","0.04","90","","547.63","0.08","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","L-alanine alaninium nitrate","","- C6 H15 N3 O7 -","- C6 H15 N3 O7 -","- C12 H30 N6 O14 -","2","1","LN1115","Ramos Silva, Manuela; Paixão, Jose A.; Matos Beja, Ana; Alte da Veiga, Luiz","Strong hydrogen-bonded amino acid dimers in L-alanine alaninium nitrate","Acta Crystallographica Section C","2001","57","7","838","840","10.1107/S0108270101006072","","","0.71073","MoKα","","0.038","0.029","","","","0.083","","","","","","1.103","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00","" "2012098","9.2559","0.0008","10.9527","0.0009","11.6466","0.001","62.867","0.002","71.01","0.002","78.653","0.002","991.93","0.15","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","3-(p-Chlorophenyl)-4-phenyl-4,5-dihydroisoxazole-5-spiro-2'- 1',2',3',4'-tetrahydronaphthalen-1'-one","","- C24 H18 Cl N O2 -","- C24 H18 Cl N O2 -","- C48 H36 Cl2 N2 O4 -","2","1","NA1498","Subbiah Pandi, A.; Banumathi, S.; Velmurugan, D.; Shanmuga Sundara Raj, S.; Fun, Hoong-Kun; Manikandan, S.","3-(p-Chlorophenyl)-4-phenyl-4,5-dihydroisoxazole-5-spiro-2'-1',2',3',4'-tetrahydronaphthalen-1'-one","Acta Crystallographica Section C","2001","57","7","819","820","10.1107/S0108270101003997","","","0.71073","MoKα","","0.1031","0.0646","","","","0.1911","","","","","","1.026","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00","" "2012099","8.6326","0.0009","13.119","0.001","15.505","0.004","90","","96.19","0.01","90","","1745.7","0.5","293","2","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H17 Cl N2 O3 -","- C20 H17 Cl N2 O3 -","- C80 H68 Cl4 N8 O12 -","4","1","NA1513","Vega, Daniel; Fernández, Daniel; Echeverría, Gustavo","Ketazolam","Acta Crystallographica Section C","2001","57","7","848","850","10.1107/S0108270101006175","","","0.71073","MoKα","","","0.046","","","","0.1317","","","","","","1.071","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00","" "2012100","12.4311","0.0014","8.4379","0.0005","26.5719","0.0018","90","","100.115","0.004","90","","2743.9","0.4","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C34 H36 O6 -","- C34 H36 O6 -","- C136 H144 O24 -","4","1","NA1514","Thuéry, Pierre; Nierlich, Martine; Vicens, Jacques; Masci, Bernardo","p-Methyltetrahomodioxacalix[4]arene","Acta Crystallographica Section C","2001","57","7","833","834","10.1107/S0108270101005753","","","0.71073","MoKα","","0.1579","0.0765","","","","0.1878","","","","","","0.973","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00","" "2012101","17.1481","0.0002","17.3909","0.0001","15.8023","0.0003","90","","112.849","0.001","90","","4342.79","0.1","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","10-(4-Fluorophenyl)-3,3,6,6,9-pentamethyl-3,4,6,7,9,10-hexahydroacridine- 1,8(2H,5H)-dione","","- C24 H28 F N O2 -","- C24 H28 F N O2 -","- C192 H224 F8 N8 O16 -","8","2","NA1517","Subbiah Pandi, A.; Velmurugan, D.; Shanmuga Sundara Raj, S.; Fun, Hoong-Kun; Seshadri, P. R.; Thirumalai, D.","10-(4-Fluorophenyl)-3,3,6,6,9-pentamethyl-3,4,6,7,9,10-hexahydroacridine-1,8(2H,5H)-dione and 10-(4-fluorophenyl)-3,3,6,6-tetramethyl-9-propyl-3,4,6,7,9,10-hexahydroacridine-1,8(2H,5H)-dione","Acta Crystallographica Section C","2001","57","7","821","824","10.1107/S0108270101005662","","","0.71073","MoKα","","0.153","0.064","","","","0.188","","","","","","1.018","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00","" "2012102","27.454","0.001","12.2738","0.001","16.2792","0.001","90","","123.118","0.01","90","","4594.4","0.7","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","10-(4-fluorophenyl)-9-propyl-3,3,6,6-tetramethyl-3,4,6,7,9,10- hexahydroacridine-1,8(2H,5H)-dione","","- C26 H32 F N O2 -","- C26 H32 F N O2 -","- C208 H256 F8 N8 O16 -","8","1","NA1517","Subbiah Pandi, A.; Velmurugan, D.; Shanmuga Sundara Raj, S.; Fun, Hoong-Kun; Seshadri, P. R.; Thirumalai, D.","10-(4-Fluorophenyl)-3,3,6,6,9-pentamethyl-3,4,6,7,9,10-hexahydroacridine-1,8(2H,5H)-dione and 10-(4-fluorophenyl)-3,3,6,6-tetramethyl-9-propyl-3,4,6,7,9,10-hexahydroacridine-1,8(2H,5H)-dione","Acta Crystallographica Section C","2001","57","7","821","824","10.1107/S0108270101005662","","","1.5418","CuKα","","0.074","0.051","","","","0.196","","","","","","1.103","","","","has coordinates","201957","2020-10-21","18:00:00","" "2012103","26.625","0.005","7.863","0.002","10.23","0.002","90","","90","","90","","2141.7","0.8","293","2","293","2","","","","","","","","5","P b c n","-P 2n 2ab","60","melaminium di-p-phenolsulfonate dihydrate","2,4,6-triamino-1,3,5-triazine-1,3-diium bis(4-hydroxybenzenesulfonate) dihydrate","","- C15 H22 N6 O10 S2 -","- C15 H22 N6 O10 S2 -","- C60 H88 N24 O40 S8 -","4","0.5","NA1522","Jan Janczak; Genivaldo Julio Perpétuo","Melaminium bis(4-hydroxybenzenesulfonate) dihydrate","Acta Crystallographica Section C","2001","57","7","873","875","10.1107/S0108270101007600","","","0.71073","MoKα","","0.068","0.036","","","","0.098","","","","","","1.058","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00","" "2012104","10.559","0.004","11.658","0.004","23.169","0.007","90","","100.54","0.03","90","","2803.9","1.7","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","2-[(4-methylphenyl)methylidene]-1,4-di-p-tosyl-1,2,3,4-tetrahydroquinoxaline","2-[(4-methylphenyl)methylidene]-1,4-di-p-tosyl-1,2,3,4-tetrahydroquinoxaline","","- C30 H28 N2 O4 S2 -","- C30 H28 N2 O4 S2 -","- C120 H112 N8 O16 S8 -","4","1","SK1466","Banerjee, Surajit; Mukherjee, Alok K.; Mukhopadhyay, Rupa; Kundu, Nitya G.; Welch, Alan J.","A series of three (E)-2-alkylidene-1,4-di-p-tosyl-1,2,3,4-tetrahydroquinoxaline compounds","Acta Crystallographica Section C","2001","57","7","861","864","10.1107/S0108270101006588","","","0.71073","MoKα","","0.0669","0.0459","","","","0.1304","","","","","","1.027","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00","" "2012105","10.546","0.001","11.844","0.001","21.985","0.003","90","","101.25","0.01","90","","2693.3","0.5","160","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","2-[(4-methoxyphenyl)methylidene]-1,4-di-p-tosyl-1,2,3,4-tetrahydroquinoxaline","2-[(4-methoxyphenyl)methylidene]-1,4-di-p-tosyl-1,2,3,4-tetrahydroquinoxaline","","- C30 H28 N2 O5 S2 -","- C30 H28 N2 O5 S2 -","- C120 H112 N8 O20 S8 -","4","1","SK1466","Banerjee, Surajit; Mukherjee, Alok K.; Mukhopadhyay, Rupa; Kundu, Nitya G.; Welch, Alan J.","A series of three (E)-2-alkylidene-1,4-di-p-tosyl-1,2,3,4-tetrahydroquinoxaline compounds","Acta Crystallographica Section C","2001","57","7","861","864","10.1107/S0108270101006588","","","0.71073","MoKα","","0.0661","0.0422","","","","0.1099","","","","","","1.017","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00","" "2012106","10.5361","0.001","24.04","0.003","10.6146","0.001","90","","93.863","0.01","90","","2682.4","0.5","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","2-[(4-chlorophenyl)methylidene]-1,4-di-p-tosyl-1,2,3,4-tetrahydroquinoxaline","2-[(4-chlorophenyl)methylidene]-1,4-di-p-tosyl-1,2,3,4-tetrahydroquinoxaline","","- C29 H25 Cl N2 O4 S2 -","- C29 H25 Cl N2 O4 S2 -","- C116 H100 Cl4 N8 O16 S8 -","4","1","SK1466","Banerjee, Surajit; Mukherjee, Alok K.; Mukhopadhyay, Rupa; Kundu, Nitya G.; Welch, Alan J.","A series of three (E)-2-alkylidene-1,4-di-p-tosyl-1,2,3,4-tetrahydroquinoxaline compounds","Acta Crystallographica Section C","2001","57","7","861","864","10.1107/S0108270101006588","","","0.71073","MoKα","","0.1208","0.0493","","","","0.1084","","","","","","0.956","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00","" "2012107","20.1931","0.0005","20.2156","0.0004","23.199","0.0004","90","","90","","90","","9470.2","0.3","173","2","173","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","Chlorotris(N,N'-dicyclohexylthiorea-S)tellurium(II) chloride","","- C39 H72 Cl2 N6 S3 Te -","- C39 H72 Cl2 N6 S3 Te -","- C312 H576 Cl16 N48 S24 Te8 -","8","1","SK1475","Husebye, Steinar; Törnroos, Karl W.; Haizhong, Zhu","Chlorotris(N,N'-dicyclohexylthiourea-S)tellurium(II) chloride, a tellurium complex with a TeClS~3~ coordination sphere","Acta Crystallographica Section C","2001","57","7","854","856","10.1107/S010827010100659X","","","0.71073","MoKα","","0.076","0.03","","","","0.066","","","","","","0.919","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00","" "2012108","7.0956","0.0014","19.035","0.004","15.312","0.003","90","","100.61","0.03","90","","2032.8","0.7","150","2","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C22 H25 N3 O3 S -","- C22 H25 N3 O3 S -","- C88 H100 N12 O12 S4 -","4","1","SK1476","Coe, Benjamin J.; Harris, James A.; Coles, Simon J.; Hursthouse, Michael B.","trans-4-[(4-Dimethylaminophenyl)iminomethyl]-N-methylpyridinium para-toluenesulfonate","Acta Crystallographica Section C","2001","57","7","857","858","10.1107/S0108270101008009","","","0.71073","MoKα","","","0.0487","","","","0.1145","","","","","","0.939","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00","" "2012109","5.183","0.0005","15.22","0.003","29.63","0.01","90","","90","","90","","2337.4","0.9","295","3","295","3","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","N,N'-oxalyl-bis(L-phenylalanine amide) dymethylsuphoxide solvate","","- C22 H28 N4 O5 S -","- C20 H22 N4 O4 -","- C80 H88 N16 O16 -","4","1","SK1478","Perić, Berislav; Makarević, Janja; Jokić, Milan; Kojić-Prodić, Biserka; Žinić, Mladen","Intermolecular contacts in the crystal packing of 2,2'-(N,N'-oxalyldiimino)bis(3-phenylpropanamide) dimethyl sulfoxide solvate","Acta Crystallographica Section C","2001","57","7","865","867","10.1107/S0108270101007041","","","1.54178","CuKα","","0.0828","0.0431","","","","0.12","","","","","","1.008","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00","" "2012110","9.568","0.002","11.567","0.003","14.01","0.004","83.37","0.02","80.69","0.05","72.08","0.03","1452.3","0.7","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","3,3'-Benzylidenebis(4-hydroxy-5,7-dimethyl-2H-chromen-2-one)piperidine(1:1) or 3, 3'-(phenylmethylene)bis[4-hydroxy-5,7-dimethyl-2H-1-benzopyran-2-one] piperidine(1:1) or 3, 3'-Benzylidenebis(5,7-dimethyl-4-hydroxycoumarin)","","- C34 H35 N O6 -","- C34 H35 N O6 -","- C68 H70 N2 O12 -","2","1","VJ1122","Vijayalakshmi, L.; Parthasarathi, V.; Vipul, Vora; Bhavik, Desai; Anamik, Shah","Piperidinium 3-[(4-hydroxy-5,7-dimethyl-2-oxo-2H-chromen-3-yl)phenylmethyl]-5,7-dimethyl-2-oxo-2H-chromen-4-olate","Acta Crystallographica Section C","2001","57","7","817","818","10.1107/S010827010100364X","","","0.71073","MoKα","","0.0583","0.0456","","","","0.1375","","","","","","1.042","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00","" "2012111","8.8173","0.0014","10.8916","0.0017","11.2986","0.0017","115.254","0.003","99.964","0.003","106.135","0.003","888","0.2","293","2","","","","","","","","","","6","P -1","-P 1","2","","Bis[chloro(1-(2-hydroxybenzyl)-1,5-diazacyclooctane) zinc(II) acetone]","","- C32 H50 Cl2 N4 O4 Zn2 -","- C32 H50 Cl2 N4 O4 Zn2 -","- C32 H50 Cl2 N4 O4 Zn2 -","1","0.5","BJ1029","Xu, Qiang; Du, Miao; Guo, Ya-Mei; Bu, Xian-He","Bis{μ-2-[(1,5-diaza-1-cyclooctyl)methyl]phenolato-N,N',O:O}bis[chlorozinc(II)] diacetone solvate: design of a square-pyramidal ZnN~2~O~2~Cl complex","Acta Crystallographica Section C","2001","57","8","893","894","10.1107/S0108270101007004","","","0.71073","MoKα","","","0.0298","","","","0.075","","","","","","1.02","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00","" "2012112","11.9647","0.0011","8.3276","0.0007","7.6054","0.0007","90","","90","","90","","757.78","0.12","293","2","293","2","","","","","","","","4","P n a 21","P 2c -2n","33","isonipecotic acid","4-piperidinecarboxylic acid","","- C6 H13 N O3 -","- C6 H13 N O3 -","- C24 H52 N4 O12 -","4","1","BK1590","Delgado, Gerzon; Mora, Asiloé J.; Bahsas, Ali","Zwitterionic 4-piperidinecarboxylic acid monohydrate","Acta Crystallographica Section C","2001","57","8","965","967","10.1107/S0108270101007958","","","0.71073","MoKα","","0.038","0.037","","","","0.101","","","","","","1.05","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00","" "2012113","7.0958","0.0013","16.05","0.003","16.856","0.004","90","","90","","90","","1919.7","0.7","203","2","203","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","7-bromo-4β,6-dihydro-1β-isopropyl-4α-methoxycarbonyl-3aα,8- dimethylcyclopenta[a-1a,3a,4,5-tetrahydronaphthalen-5-one]","","- C20 H25 Br O5 -","- C20 H25 Br O5 -","- C80 H100 Br4 O20 -","4","1","BK1599","Cambie, Richard C.; Rickard, Clifton E. F.; Rutledge, P. Stewart; Wellington, Keri D.","Hamigerin A and a hamigerin D decomposition product","Acta Crystallographica Section C","2001","57","8","958","960","10.1107/S0108270101007442","","","0.71073","MoKα","","0.0476","0.0404","","","","0.1071","","","","","","1.066","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00","" "2012114","10.0979","0.0001","20.5473","0.0002","10.7452","0.0001","90","","106.685","0.001","90","","2135.6","0.04","203","2","203","2","","","","","","","","5","P 1 21 1","P 2yb","4","","8-bromo-5-(2'α-carboxymethyl-5'α-isopropyl-2'β-methyl)-3-imono- 7-methyl-2,3-dihydrobenzopyran-4-one","","- C21 H28 Br N O4 -","- C21 H28 Br N O4 -","- C84 H112 Br4 N4 O16 -","4","2","BK1599","Cambie, Richard C.; Rickard, Clifton E. F.; Rutledge, P. Stewart; Wellington, Keri D.","Hamigerin A and a hamigerin D decomposition product","Acta Crystallographica Section C","2001","57","8","958","960","10.1107/S0108270101007442","","","0.71073","MoKα","","0.0434","0.0295","","","","0.0649","","","","","","0.852","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00","" "2012115","16.647","0.003","16.385","0.003","8.053","0.0016","90","","98.08","0.03","90","","2174.7","0.7","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","bis(Isothiocyanato-(2,2'-Bipyridine))-nickel(ii)","","- C22 H16 N6 Ni S2 -","- C22 H16 N6 Ni S2 -","- C88 H64 N24 Ni4 S8 -","4","1","BK1604","Freire, Eleonora; Baggio, Sergio; Suescun, Leopoldo; Baggio, Ricardo","Comparative X-ray study of three nickel(II)‒thiocyanate compounds","Acta Crystallographica Section C","2001","57","8","905","908","10.1107/S0108270101008460","","","0.71073","MoKα","","0.11","0.063","","","","0.205","","","","","","1.04","","","","has coordinates","176760","2020-10-21","18:00:00","" "2012116","13.018","0.003","10.116","0.002","17.536","0.004","90","","90","","90","","2309.3","0.9","293","2","293","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","bis(Isothiocyanato-(1,10-Phenanthroline))-nickel(ii)","","- C26 H16 N6 Ni S2 -","- C26 H16 N6 Ni S2 -","- C104 H64 N24 Ni4 S8 -","4","0.5","BK1604","Freire, Eleonora; Baggio, Sergio; Suescun, Leopoldo; Baggio, Ricardo","Comparative X-ray study of three nickel(II)‒thiocyanate compounds","Acta Crystallographica Section C","2001","57","8","905","908","10.1107/S0108270101008460","","","0.71073","MoKα","","0.094","0.029","","","","0.091","","","","","","0.968","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00","" "2012117","9.689","0.001","10.757","0.001","14.754","0.001","77.71","0.01","79","0.01","70.07","0.01","1400.8","0.2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","bis(Isothiocyanato-(2,9-dimethyl-1,10-phenanthroline))-nickel(ii) hydrate","","- C30 H26 N6 Ni O S2 -","- C30 H24 N6 Ni O0.404 S2 -","- C60 H48 N12 Ni2 O0.808 S4 -","2","1","BK1604","Freire, Eleonora; Baggio, Sergio; Suescun, Leopoldo; Baggio, Ricardo","Comparative X-ray study of three nickel(II)‒thiocyanate compounds","Acta Crystallographica Section C","2001","57","8","905","908","10.1107/S0108270101008460","","","0.71073","MoKα","","0.071","0.04","","","","0.081","","","","","","0.972","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00","" "2012118","9.7411","0.0009","7.5931","0.0007","17.444","0.002","90","","112.682","0.008","90","","1190.5","0.2","293","1","293","1","","","","","","","","4","I 1 2/a 1","-I 2ya","15","pyrrole-2-thiocarboxamide","1H-pyrrole-2-carbothioamide","","- C5 H6 N2 S -","- C5 H6 N2 S -","- C40 H48 N16 S8 -","8","1","BM1450","Smith, Matt C.; Davies, Sian C.; Hughes, David L.; Evans, David J.","1H-Pyrrole-2-carbothioamide","Acta Crystallographica Section C","2001","57","8","987","988","10.1107/S0108270101008423","","","0.71069","Mo-Kα","","0.047","0.035","","","0.092","0.102","","","","1.086","1.086","1.05","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00","" "2012119","11.9794","0.0018","8.9951","0.0013","10.0786","0.0016","90","","101.557","0.003","90","","1064","0.3","110","2","110","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2-cyano-5-phenyl-pent-2-en-4-ynoic acid N-methylamide form (I)","","- C13 H10 N2 O -","- C13 H10 N2 O -","- C52 H40 N8 O4 -","4","1","BM1452","Borbulevych, Oleg Ya.; Golding, Igor R.; Shchegolikhin, Alexander N.; Klemenkova, Zinaida S.; Antipin, Mikhail Yu.","Conformational polymorphs of 22-cyano-N-methyl-5-phenylpent-2-en-4-ynamide","Acta Crystallographica Section C","2001","57","8","996","998","10.1107/S010827010100909X","","","0.71073","MoKα","","0.063","0.044","","","","0.116","","","","","","0.97","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00","" "2012120","22.652","0.012","9.728","0.007","10.269","0.005","90","","97.29","0.04","90","","2245","2","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2-cyano-5-phenyl-pent-2-en-4-ynoic acid N-methylamide form (II)","","- C13 H10 N2 O -","- C13 H10 N2 O -","- C104 H80 N16 O8 -","8","2","BM1452","Borbulevych, Oleg Ya.; Golding, Igor R.; Shchegolikhin, Alexander N.; Klemenkova, Zinaida S.; Antipin, Mikhail Yu.","Conformational polymorphs of 22-cyano-N-methyl-5-phenylpent-2-en-4-ynamide","Acta Crystallographica Section C","2001","57","8","996","998","10.1107/S010827010100909X","","","0.71073","MoKα","","0.165","0.052","","","","0.169","","","","","","0.959","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00","" "2012121","5.1456","0.0005","6.0794","0.0005","5.1291","0.0006","90","","108.859","0.008","90","","151.84","0.03","293","2","293","2","","","","","","","","3","P 1 2/c 1","-P 2yc","13","","","","- Li3 O4 Sb -","- Li3 O4 Sb -","- Li6 O8 Sb2 -","2","0.5","BR1318","Bernès, Sylvain; Trujillo Tovar, Sonia; Castellanos R., María A.","A comparison of the X-ray single-crystal structure of Li~3~SbO~4~ with the Rietveld refinement","Acta Crystallographica Section C","2001","57","8","883","884","10.1107/S0108270101007569","","","0.71073","MoKα","","0.0163","0.0149","","","","0.0355","","","","","","1.043","","","","has coordinates","176435","2020-10-21","18:00:00","" "2012122","17.123","0.008","17.123","0.008","12.255","0.006","90","","90","","90","","3593","3","20","2","20","2","","","","","","","","5","I -4","I -4","82","Dodecanuclear mixed-1valence manganese carboxylate","tetraaquahexadecaacetatododecaoxododecamanganese bis(acetic acid) tetrahydrate","","- C36 H18 D54 Mn12 O56 -","- C36 H18 D54 Mn12 O56 -","- C72 H36 D108 Mn24 O112 -","2","0.25","BR1327","Langan, Paul; Robinson, Robert, A.; Brown, P. Jane; Argyriou, Dimitri, N.; Hendrickson, David, N.; Christou, George","A low-temperature neutron diffraction study of Mn~12~-acetate","Acta Crystallographica Section C","2001","57","8","909","910","10.1107/S0108270101008599","","neutron","0.8405","neutron","","0.095","0.089","","","","0.209","","","","","","1.57","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00","" "2012123","16.131","0.007","18.07","0.008","14.349","0.006","90","","91.95","0.02","90","","4180","3","295","2","295","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","1-(4-Nitrophenyl)-2-phenylimino-2,5-dihydro-1H-pyrido[3,2-b]indole-3- carbonitrile","","- C24 H15 N5 O2 -","- C24 H15 N5 O2 -","- C192 H120 N40 O16 -","8","2","BR1336","Chernyshev, Vladimir V.; Tafeenko, Victor A.; Ryabova, Svetlana Yu.; Sonneveld, Eduard J.; Schenk, Hendrik","Thermal isomerization pathway of 1-(4-nitrophenyl)-2-phenylimino-2,5-dihydro-1H-pyrido[3,2-b]indole-3-carbonitrile discovered by laboratory powder data","Acta Crystallographica Section C","2001","57","8","982","984","10.1107/S0108270101008356","","","1.54059","CuKα~1~","","","","","","","","","","2.5","","","","","","","has coordinates","201957","2020-10-21","18:00:00","" "2012124","22.466","0.008","24.859","0.009","6.906","0.003","90","","90","","90","","3857","3","295","2","295","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","2-[(4-Nitrophenyl)-phenylamino]-5H-pyrido[3,2-b]indole-3-carbonitrile","","- C24 H15 N5 O2 -","- C24 H15 N5 O2 -","- C192 H120 N40 O16 -","8","1","BR1336","Chernyshev, Vladimir V.; Tafeenko, Victor A.; Ryabova, Svetlana Yu.; Sonneveld, Eduard J.; Schenk, Hendrik","Thermal isomerization pathway of 1-(4-nitrophenyl)-2-phenylimino-2,5-dihydro-1H-pyrido[3,2-b]indole-3-carbonitrile discovered by laboratory powder data","Acta Crystallographica Section C","2001","57","8","982","984","10.1107/S0108270101008356","","","1.54059","CuKα~1~","","","","","","","","","","2.72","","","","","","","has coordinates","201957","2020-10-21","18:00:00","" "2012125","12.343","0.002","5.273","0.001","26.029","0.007","90","","101.54","0.02","90","","1659.8","0.6","295","","","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C17 H10 S5 -","- C17 H10 S5 -","- C68 H40 S20 -","4","1","FR1325","Kaynak, F. Betül; Özbey, Süheyla; Öztürk, Turan; Ertaş, Erdal","5,6-Diphenyl[1,3]dithiolo[4,5-b]dithiine-2-thione","Acta Crystallographica Section C","2001","57","8","926","928","10.1107/S0108270101006679","","","1.5418","CuKα","","","0.0575","","","","0.1493","","","","","","1.06","","","","has coordinates","176435","2020-10-21","18:00:00","" "2012126","7.64","0.002","8.606","0.006","30.307","0.017","90","","90.25","0.03","90","","1992.7","1.9","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","4-(2,5-dimethoxyphenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-bis(ethoxycarbo nyl)","4-(2,5-dimethoxyphenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-bis(ethoxycarbo nyl)","","- C21 H27 N O6 -","- C21 H27 N O6 -","- C84 H108 N4 O24 -","4","1","FR1330","Caignan, Gregori A.; Holt, Elizabeth M.","Diethyl 4-(2,5-dimethoxyphenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate, conformational change with solvent of crystallization","Acta Crystallographica Section C","2001","57","8","934","935","10.1107/S0108270101006916","","","0.71073","MoKα","","0.1092","0.0569","","","","0.1131","","","","","","1.027","","","","has coordinates","176760","2020-10-21","18:00:00","" "2012127","7.043","0.001","28.741","0.006","5.94","0.001","90","","103.06","0.03","90","","1171.3","0.4","293","2","293","2","","","","","","","","5","C 1 c 1","C -2yc","9","","catena-Poly[aqua copper(II)-μ-(1-oxido-N-naphthylideneglycinato-O,N,O':O')]","","- C13 H11 Cu N O4 -","- C13 H11 Cu N O4 -","- C52 H44 Cu4 N4 O16 -","4","1","GD1148","Maniukiewicz, Waldemar; Bukowska-Strzyżewska, Maria","catena-Poly[aquacopper(II)-μ-[N-(1-oxido-2-naphthylmethylene)glycinato-O,N,O':O']]","Acta Crystallographica Section C","2001","57","8","889","890","10.1107/S0108270101006060","","","0.71073","MoKα","","0.039","0.034","","","","0.099","","","","","","1.062","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00","" "2012128","12.6464","0.0003","8.4615","0.0002","10.4323","0.0002","90","","96.578","0.001","90","","1108.99","0.04","120","0.2","120","0.2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","trans-1,2,3-tris-(1'-hydroxycyclopropyl)cyclopropane","","- C12 H18 O3 -","- C12 H18 O3 -","- C48 H72 O12 -","4","1","GD1150","Yufit, Dmitrii S.; Howard, Judith A.K.; Kozhushkov, Sergei I.; Kostikov, Rafael R.; de Meijere, Armin","trans-1,2,3-Tris(1-hydroxycyclopropyl)cyclopropane","Acta Crystallographica Section C","2001","57","8","968","969","10.1107/S010827010100796X","","","0.71073","MoKα","","0.0553","0.0419","","","","0.1034","","","","","","1.102","","","","has coordinates","201957","2020-10-21","18:00:00","" "2012129","12.85","0.002","25.824","0.007","13.308","0.002","90","","105.77","0.01","90","","4249.9","1.5","293","2","293","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","[(PPh~3~)~2~PtB~10~H~11~-8-(OCH~3~)]0.5(CH~2~Cl~2~)","8-methoxy-7,7-bis(triphenylphosphorine-P)- 8,9:10,11-di-μ-H-7-platina-nido-undecaborane dichloromethane hemisolvate","","- C37.5 H45 B10 Cl O P2 Pt -","- C37.5 H45 B10 Cl O P2 Pt -","- C150 H180 B40 Cl4 O4 P8 Pt4 -","4","1","GD1151","Nie, Yong; Hu, Chun-Hua; Li, Xue; Yong, Wei; Dou, Jian Min; Sun, Jie; Jin, Ruo-Shui; Zheng, Pei-Ju","Three monoalkoxy-substituted nido-platinaboranes: [(PPh~3~)~2~PtB~10~H~11~-8-(OCH~3~)], [(PPh~3~)~2~PtB~10~H~11~-8-{OCH(CH~3~)~2~}] and [(PPh~3~)~2~PtB~10~H~10~-9-{OCH(CH~3~)~2~}]","Acta Crystallographica Section C","2001","57","8","897","899","10.1107/S0108270101007788","","","0.71069","MoKα","","0.055","0.037","","","","0.105","","","","","","1.04","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00","" "2012130","11.114","0.003","21.634","0.008","18.99","0.008","90","","103.75","0.03","90","","4435","3","293","2","293","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","{(PPh~3~)~2~PtB~10~H~11~-8-[OCH(CH~3~)~2~]}(CH~2~Cl~2~)","8-isopropoxy-7,7-bis(triphenylphosphorine-P)- 8,9:10,11-di-μ-H-7-platina-nido-undecaborane dichloromethane solvate","","- C40 H50 B10 Cl2 O P2 Pt -","- C40 H50 B10 Cl2 O P2 Pt -","- C160 H200 B40 Cl8 O4 P8 Pt4 -","4","1","GD1151","Nie, Yong; Hu, Chun-Hua; Li, Xue; Yong, Wei; Dou, Jian Min; Sun, Jie; Jin, Ruo-Shui; Zheng, Pei-Ju","Three monoalkoxy-substituted nido-platinaboranes: [(PPh~3~)~2~PtB~10~H~11~-8-(OCH~3~)], [(PPh~3~)~2~PtB~10~H~11~-8-{OCH(CH~3~)~2~}] and [(PPh~3~)~2~PtB~10~H~10~-9-{OCH(CH~3~)~2~}]","Acta Crystallographica Section C","2001","57","8","897","899","10.1107/S0108270101007788","","","0.71073","MoKα","","0.164","0.069","","","","0.238","","","","","","1.375","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00","" "2012131","13.435","0.003","17.864","0.004","19.383","0.004","90","","105.94","0.02","90","","4473.1","1.7","293","2","293","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","{(PPh~3~)~2~PtB~10~H~11~-9-[OCH(CH~3~)~2~]}(CH~2~Cl~2~)","9-isopropoxy-7,7-bis(triphenylphosphorine-P)- 8,9:10,11-di-μ-H-7-platina-nido-undecaborane dichloromethane solvate","","- C40 H50 B10 Cl2 O P2 Pt -","- C40 H50 B10 Cl2 O P2 Pt -","- C160 H200 B40 Cl8 O4 P8 Pt4 -","4","1","GD1151","Nie, Yong; Hu, Chun-Hua; Li, Xue; Yong, Wei; Dou, Jian Min; Sun, Jie; Jin, Ruo-Shui; Zheng, Pei-Ju","Three monoalkoxy-substituted nido-platinaboranes: [(PPh~3~)~2~PtB~10~H~11~-8-(OCH~3~)], [(PPh~3~)~2~PtB~10~H~11~-8-{OCH(CH~3~)~2~}] and [(PPh~3~)~2~PtB~10~H~10~-9-{OCH(CH~3~)~2~}]","Acta Crystallographica Section C","2001","57","8","897","899","10.1107/S0108270101007788","","","0.71069","MoKα","","0.057","0.035","","","","0.096","","","","","","1.027","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00","" "2012132","8.163","0.0011","16.3957","0.001","11.5686","0.0014","90","","98.622","0.011","90","","1530.8","0.3","294","2","294","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","[3-Co{η^5^-(2,5-(CH~3~)~2~-NC~4~H~2~)}-1-CH~3~-1,2-C~2~B~9~H~10~]","","- C9 H21 B9 Co N -","- C9 H21 B9 Co N -","- C36 H84 B36 Co4 N4 -","4","1","GD1152","Sillanpää, Reijo; Llop, Jordi; Viñas, Clara; Teixidor, Frances; Kivekäs, Raikko","η^5^-(3)-1-Methyl-1,2-dicarbollyl-η^5^-2',5'-dimethylpyrrolylcobalt(III)","Acta Crystallographica Section C","2001","57","8","900","901","10.1107/S0108270101007971","","","0.71069","MoKα","","0.0474","0.0302","","","","0.0767","","","","","","1.061","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00","" "2012133","9.6165","0.0007","9.0032","0.0007","9.6231","0.0007","90","","90.951","0.002","90","","833.05","0.11","298","","298","","","","","","","","","6","I 1 2/a 1","-I 2ya","15","beryllophosphate gismondine","","","- C H5 Be N O4 P -","- C H5 Be N O4 P -","- C8 H40 Be8 N8 O32 P8 -","8","1","GD1154","Harrison, William T. A.","[H~3~N(CH~2~)~2~NH~3~]~0.5~[BePO~4~], a beryllophosphate analogue of aluminosilicate zeolite gismondine","Acta Crystallographica Section C","2001","57","8","891","892","10.1107/S0108270101006928","","","0.71073","MoKα","","0.048","0.035","","","","0.093","","","","","","1.02","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00","" "2012134","5.903","0.0012","27.549","0.006","23.371","0.005","90","","101.22","0.03","90","","3728","1.4","215","2","215","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Hexamethylenetetramine-sebacic acid","Decanedioic acid-1,3,5,7-Tetraazatricyclo[3.3.1.1^3,7^]decane (1/1)","","- C16 H30 N4 O4 -","- C16 H30 N4 O4 -","- C128 H240 N32 O32 -","8","2","GG1054","Gardon, Manuel; Schönleber, Andreas; Chapuis, Gervais; Hostettler, Marc; Bonin, Michel","The lock-in phase in the urotropine‒sebacic acid system","Acta Crystallographica Section C","2001","57","8","936","938","10.1107/S0108270101007028","","","0.71073","MoKα","","0.111","0.057","","","","0.064","","","","","","1.625","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00","" "2012135","10.9948","0.001","9.6922","0.001","21.381","0.005","90","","94.815","0.01","90","","2270.4","0.6","293","2","293","2","","","","","","","","7","P 1 2/n 1","-P 2yac","13","","1,2-bis(N-fluoro-p-toluenesulfonamido)ethane","","- C17 H19 Cl3 F2 N2 O4 S2 -","- C17 H19 Cl3 F2 N2 O4 S2 -","- C68 H76 Cl12 F8 N8 O16 S8 -","4","1","GG1055","Ardeshir, Khazaei; Banks, R. Eric; Besheesh, Mohammed K.; Brisdon, Alan K.; Pritchard, Robin G.","1,2-Bis(N-fluoro-p-toluenesulfonamido)ethane chloroform solvate","Acta Crystallographica Section C","2001","57","8","970","972","10.1107/S0108270101007983","","","0.71073","MoKα","","0.092","0.05","","","","0.142","","","","","","1.042","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00","" "2012136","8.2903","0.0002","12.0158","0.0002","13.835","0.0003","75.6616","0.001","79.4036","0.0011","84.9664","0.0009","1311.18","0.05","150","","150","","","","","","","","","4","P -1","-P 1","2","","Tetrakis(dimethylamido)vanadium","","- C8 H24 N4 V -","- C8 H24 N4 V -","- C32 H96 N16 V4 -","4","2","GG1056","Dubberley, Stuart R.; Tyrrell, Ben R.; Mountford, Philip","Tetrakis(dimethylamido)vanadium(IV)","Acta Crystallographica Section C","2001","57","8","902","904","10.1107/S0108270101008368","","","0.71073","MoKα","","","0.0325","","","","0.0431","","","","","","1.05","","","","has coordinates","201957","2020-10-21","18:00:00","" "2012137","7.0529","0.0002","8.1852","0.0002","8.745","0.0006","63.365","0.002","89.575","0.002","88.637","0.003","451.14","0.04","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","Diaqua[6-amino-3-methyl-5-nitrosopyrimidine-2,4(1H,3H)dionato]sodium","","- C5 H9 N4 Na O5 -","- C5 H9 N4 Na O5 -","- C10 H18 N8 Na2 O10 -","2","1","GG1058","Cuesta, Rafael; Arranz-Mascarós, Paloma; Low, John N.; Glidewell, Christopher","[6-Amino-3-methyl-5-nitrosopyrimidine-2,4(1H,3H)-dionato]sodium dihydrate at 150K: coordination-polymer ladders linked by hydrogen bonds","Acta Crystallographica Section C","2001","57","8","918","921","10.1107/S010827010100720X","","","0.71073","MoKα","","0.071","0.049","","","","0.136","","","","","","0.984","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00","" "2012138","12.7129","0.0002","11.2067","0.0001","11.6822","0.0002","90","","109.578","0.001","90","","1568.14","0.04","140","2","140","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H20 N4 O -","- C15 H20 N4 O -","- C60 H80 N16 O4 -","4","1","GG1059","Lüning, Ulrich; Kühl, Christine; Bolte, Michael","N-tert-Butyl-N'-(5,7-dimethyl-1,8-naphthyridin-2-yl)urea","Acta Crystallographica Section C","2001","57","8","989","990","10.1107/S0108270101008605","","","0.71073","MoKα","","0.084","0.05","","","","0.136","","","","","","1.02","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00","" "2012139","21.4097","0.0003","6.1559","0.0006","10.0605","0.0013","90","","90","","90","","1325.9","0.2","150","2","150","2","","","","","","","","4","P n a 21","P 2c -2n","33","","N,N'-Bis[tris(hydroxymethyl)methyl]ethanediamide","","- C10 H20 N2 O8 -","- C10 H20 N2 O8 -","- C40 H80 N8 O32 -","4","1","GG1060","Ross, Jennifer N.; Low, John N.; Fernandes, Christiane; Wardell, James L.; Glidewell, Christopher","N,N'-Bis[tris(hydroxymethyl)methyl]ethanediamide: six O—H···O hydrogen bonds generate only a two-dimensional structure","Acta Crystallographica Section C","2001","57","8","949","951","10.1107/S0108270101008940","","","0.71073","MoKα","","0.0605","0.0471","","","","0.1199","","","","","","1.015","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00","" "2012140","9.7191","0.0003","11.3281","0.0004","17.5549","0.0007","78.697","0.0016","87.81","0.0015","75.772","0.002","1837.05","0.11","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","Ferrocene-1,1'-diylbis(diphenylmethanol)‒1,2-bis(4-pyridyl)ethane (1/1)","","- C48 H42 Fe N2 O2 -","- C48 H42 Fe N2 O2 -","- C96 H84 Fe2 N4 O4 -","2","1","GG1062","Zakaria, Choudhury M.; Ferguson, George; Lough, Alan J.; Glidewell, Christopher","Hydrogen-bonded adducts of ferrocene-1,1'-diylbis(diphenylmethanol): monomeric and dimeric 1:1 adducts with 1,2-bis(4-pyridyl)ethane and 1,2-diaminoethane","Acta Crystallographica Section C","2001","57","8","914","917","10.1107/S010827010100837X","","","0.71073","MoKα","","0.1134","0.051","","","","0.1247","","","","","","0.967","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00","" "2012141","9.8551","0.0002","11.7183","0.0002","27.681","0.0005","82.3495","0.0008","84.4918","0.0008","73.4846","0.0008","3031.88","0.1","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","Ferrocene-1,1'-diylbis(diphenylmethanol)‒1,2-diaminoethane (1/1)","","- C38 H38 Fe N2 O2 -","- C38 H37.744 Fe N2 O2 -","- C152 H150.976 Fe4 N8 O8 -","4","2","GG1062","Zakaria, Choudhury M.; Ferguson, George; Lough, Alan J.; Glidewell, Christopher","Hydrogen-bonded adducts of ferrocene-1,1'-diylbis(diphenylmethanol): monomeric and dimeric 1:1 adducts with 1,2-bis(4-pyridyl)ethane and 1,2-diaminoethane","Acta Crystallographica Section C","2001","57","8","914","917","10.1107/S010827010100837X","","","0.71073","MoKα","","0.1148","0.05","","","","0.1234","","","","","","0.984","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00","" "2012142","7.806","0.001","7.806","0.001","14.867","0.002","90","","90","","120","","784.53","0.18","293","2","293","2","","","","","","","","4","R -3 :H","-R 3","148","sodum cobaltinitrite","trisodium hexanitrocobaltate(III)","","- Co N6 Na3 O12 -","- Co N6 Na3 O12 -","- Co3 N18 Na9 O36 -","3","0.166667","IZ1013","Figgis, Brian N.; Sobolev, Alexandre N.","Na~3~Co(NO~2~)~6~ at 293 and 10K","Acta Crystallographica Section C","2001","57","8","885","886","10.1107/S0108270101007995","","","0.71073","MoKα","","0.0197","0.0197","","","","0.0552","","","","","","1.102","","","","has coordinates","176760","2020-10-21","18:00:00","" "2012143","7.7724","0.0004","7.7724","0.0004","14.763","0.002","90","","90","","120","","772.35","0.12","10.5","0.5","10.5","0.5","","","","","","","","4","R -3 :H","-R 3","148","sodum cobaltinitrite","trisodium hexanitrocobaltate(III)","","- Co N6 Na3 O12 -","- Co N6 Na3 O12 -","- Co3 N18 Na9 O36 -","3","0.166667","IZ1013","Figgis, Brian N.; Sobolev, Alexandre N.","Na~3~Co(NO~2~)~6~ at 293 and 10K","Acta Crystallographica Section C","2001","57","8","885","886","10.1107/S0108270101007995","","","0.71073","MoKα","","0.0213","0.0213","","","","0.0614","","","","","","1.071","","","","has coordinates","176760","2020-10-21","18:00:00","" "2012144","10.4122","0.0011","4.7567","0.0008","11.6778","0.0016","90","","108.168","0.01","90","","549.54","0.14","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","N,N'-Bis(methoxycarbonylmethyl)oxalamide","","- C8 H12 N2 O6 -","- C8 H12 N2 O6 -","- C16 H24 N4 O12 -","2","0.5","JZ1454","Armelin, Elaine; Urpí, Lourdes; Solans, Xavier; Puiggalí, Jordi","Dimethyl N,N'-oxalamidodiethanoate","Acta Crystallographica Section C","2001","57","8","932","933","10.1107/S0108270101006965","","","1.54178","CuKα","","0.0602","0.0565","","","","0.1548","","","","","","1.096","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00","" "2012145","9.906","0.004","12.528","0.005","13.991","0.005","90","","105.44","0.04","90","","1673.7","1.2","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Dimethyl 2-[(2-Methoxycarbonyl-1-methoxycarbonylmethyl-4-pyrrolyl)methylene]- propanedioate","","- C15 H17 N O8 -","- C15 H17 N O8 -","- C60 H68 N4 O32 -","4","1","JZ1455","Lokaj, Jan; Kettmann, Viktor; Milata, Viktor; Hodul, Pavol; Kottaš, Peter; Petrov, Ognyan","Dimethyl 2-{[2-(methoxycarbonyl)-1-(methoxycarbonylmethyl)pyrrol-4-yl]methylene}propanedioate","Acta Crystallographica Section C","2001","57","8","973","974","10.1107/S0108270101008204","","","0.71073","MoKα","","0.0801","0.0585","","","","0.1967","","","","","","1.002","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00","" "2012146","9.325","0.001","9.662","0.001","15.619","0.002","90","","90","","90","","1407.2","0.3","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","2-methoxy-3-[1(2-hydroxyethylamine)ethylidene]-2,3-dihydro-2,4-dioxo- 2λ^5^-benzo[e][1,2]oxaphosphinane","","- C13 H16 N O5 P -","- C13 H16 N O5 P -","- C52 H64 N4 O20 P4 -","4","1","NA1518","Małecka, Magdalena; Budzisz, Elżbieta","Investigations on benz[1,2]oxaphosphinane derivatives","Acta Crystallographica Section C","2001","57","8","929","931","10.1107/S0108270101006734","","","1.54178","CuKα","","0.0853","0.0636","","","","0.1574","","","","","","1.225","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00","" "2012147","11.071","0.001","16.19","0.002","8.49","0.001","90","","90","","90","","1521.7","0.3","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","6-methyl-2-methoxy-3-[1(2-hydroxyethylamine)ethylidene]-2,3-dihydro-2,4-dioxo- 2λ^5^-benzo[e][1,2]oxaphosphinane","","- C14 H18 N O5 P -","- C14 H18 N O5 P -","- C56 H72 N4 O20 P4 -","4","1","NA1518","Małecka, Magdalena; Budzisz, Elżbieta","Investigations on benz[1,2]oxaphosphinane derivatives","Acta Crystallographica Section C","2001","57","8","929","931","10.1107/S0108270101006734","","","1.54178","CuKα","","0.041","0.0336","","","","0.0965","","","","","","1.023","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00","" "2012148","7.114","0.002","7.38","0.002","10.849","0.004","96.68","0.02","97.49","0.02","100.54","0.02","549.4","0.3","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","4-[(2-nitrophenyl)azo]phenol","","- C12 H9 N3 O3 -","- C12 H9 N3 O3 -","- C24 H18 N6 O6 -","2","1","NA1519","Yatsenko, Alexandr V.; Paseshnichenko, Ksenia A.","Differently coloured polymorphs of 4-[(2-nitrophenyl)azo]phenol","Acta Crystallographica Section C","2001","57","8","961","964","10.1107/S0108270101007594","","","0.71073","MoKα","","0.067","0.038","","","","0.101","","","","","","1.118","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00","" "2012149","3.823","0.001","23.014","0.008","25.437","0.009","90","","92.73","0.03","90","","2235.5","1.3","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","4-[(2-nitrophenyl)azo]phenol","","- C12 H9 N3 O3 -","- C12 H9 N3 O3 -","- C96 H72 N24 O24 -","8","2","NA1519","Yatsenko, Alexandr V.; Paseshnichenko, Ksenia A.","Differently coloured polymorphs of 4-[(2-nitrophenyl)azo]phenol","Acta Crystallographica Section C","2001","57","8","961","964","10.1107/S0108270101007594","","","0.71073","MoKα","","0.195","0.066","","","","0.124","","","","","","0.98","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00","" "2012150","11.3148","0.0008","14.2488","0.0005","15.3512","0.0011","84.28","0.004","69.132","0.002","79.683","0.004","2273.5","0.2","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C50 H68 O6 -","- C50 H68 O6 -","- C100 H136 O12 -","2","1","NA1520","Masci, Bernardo; Saccheo, Stefano; Fonsi, Massimiliano; Varrone, Maurizio; Finelli, Marco; Nierlich, Martine; Thuéry, Pierre","Methoxy-ether and crown-ether derivatives of tetrahomodioxa- and octahomotetraoxacalix[4]arenes","Acta Crystallographica Section C","2001","57","8","978","981","10.1107/S010827010100823X","","","0.71073","MoKα","","0.1069","0.0608","","","","0.1579","","","","","","1.016","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00","" "2012151","10.6466","0.0005","11.0343","0.0007","15.1801","0.0007","90","","105.842","0.003","90","","1715.59","0.16","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C40 H48 O8 -","- C40 H48 O8 -","- C80 H96 O16 -","2","0.5","NA1520","Masci, Bernardo; Saccheo, Stefano; Fonsi, Massimiliano; Varrone, Maurizio; Finelli, Marco; Nierlich, Martine; Thuéry, Pierre","Methoxy-ether and crown-ether derivatives of tetrahomodioxa- and octahomotetraoxacalix[4]arenes","Acta Crystallographica Section C","2001","57","8","978","981","10.1107/S010827010100823X","","","0.71073","MoKα","","0.0704","0.0446","","","","0.1123","","","","","","1.017","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00","" "2012152","23.232","0.0015","9.0186","0.0003","19.6065","0.0012","90","","108.819","0.002","90","","3888.4","0.4","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C44 H56 O8 -","- C44 H56 O8 -","- C176 H224 O32 -","4","1","NA1520","Masci, Bernardo; Saccheo, Stefano; Fonsi, Massimiliano; Varrone, Maurizio; Finelli, Marco; Nierlich, Martine; Thuéry, Pierre","Methoxy-ether and crown-ether derivatives of tetrahomodioxa- and octahomotetraoxacalix[4]arenes","Acta Crystallographica Section C","2001","57","8","978","981","10.1107/S010827010100823X","","","0.71073","MoKα","","0.1171","0.0571","","","","0.1444","","","","","","1.014","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00","" "2012153","8.6669","0.0006","13.7665","0.0011","16.8072","0.0009","113.671","0.004","94.723","0.004","97.119","0.003","1803.1","0.2","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C42 H50 O9 -","- C42 H50 O9 -","- C84 H100 O18 -","2","1","NA1520","Masci, Bernardo; Saccheo, Stefano; Fonsi, Massimiliano; Varrone, Maurizio; Finelli, Marco; Nierlich, Martine; Thuéry, Pierre","Methoxy-ether and crown-ether derivatives of tetrahomodioxa- and octahomotetraoxacalix[4]arenes","Acta Crystallographica Section C","2001","57","8","978","981","10.1107/S010827010100823X","","","0.71073","MoKα","","0.0952","0.0546","","","","0.1353","","","","","","1.016","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00","" "2012154","7.726","0.002","8.057","0.003","14.352","0.006","90","","90","","90","","893.4","0.6","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","Diisopropylammonium hydrogen difluoroide","","- C6 H17 F2 N -","- C6 H17 F2 N -","- C24 H68 F8 N4 -","4","1","NA1527","Reiss, Guido J.","Diisopropylammonium hydrogen difluoride","Acta Crystallographica Section C","2001","57","8","994","995","10.1107/S0108270101008836","","","0.71073","MoKα","","0.04","0.0298","","","","0.0709","","","","","","1.011","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00","" "2012155","13.173","0.003","10.424","0.002","19.435","0.004","90","","99.76","0.03","90","","2630.1","1","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C32 H16 Cr I N8 -","- C32 H16 Cr I N8 -","- C128 H64 Cr4 I4 N32 -","4","1","NA1528","Janczak, Jan; Idemori, Ynara Marina","Iodo(phthalocyaninato)chromium(III)","Acta Crystallographica Section C","2001","57","8","924","925","10.1107/S0108270101009076","","","0.71073","MoKα","","0.1448","0.0497","","","","0.0485","","","","","","0.959","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00","" "2012156","9.145","0.002","9.427","0.002","9.889","0.002","85.19","0.03","82.64","0.03","62.45","0.03","749.3","0.3","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","2-(N,N-diphenylamino)benzoic acid","","- C19 H15 N O2 -","- C19 H15 N O2 -","- C38 H30 N2 O4 -","2","1","SK1456","Boużyk, Anna; Konitz, Antoni; Błażejowski, Jerzy","2-(N,N-Diphenylamino)benzoic acid","Acta Crystallographica Section C","2001","57","8","985","986","10.1107/S0108270101008459","","","0.71073","MoKα","","0.176","0.044","","","","0.151","","","","","","0.998","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00","" "2012157","6.266","0.001","7.775","0.001","14.53","0.001","76.475","0.004","87.682","0.004","84.684","0.004","685.15","0.15","293","","293","","","","","","","","","2","P -1","-P 1","2","","pentacene","","- C22 H14 -","- C22 H14 -","- C44 H28 -","2","1","SK1477","Mattheus, Christine C.; Dros, Anne B.; Baas, Jacob; Meetsma, Auke; Boer, Jan L. de; Palstra, Thomas T.M.","Polymorphism in pentacene","Acta Crystallographica Section C","2001","57","8","939","941","10.1107/S010827010100703X","","","0.71073","MoKα","","0.2265","0.0685","","","","0.1785","","","","","","0.943","","","","has coordinates","176760","2020-10-21","18:00:00","" "2012158","6.239","0.001","7.636","0.001","14.33","0.002","76.978","0.003","88.136","0.003","84.415","0.003","661.94","0.17","90","","90","1","","","","","","","","2","P -1","-P 1","2","","","","- C22 H14 -","- C22 H14 -","- C44 H28 -","2","1","","Mattheus, Christine C.; Dros, Anne B.; Baas, Jacob; Meetsma, Auke; de Boer, Jan L.; Palstra, Thomas T. M.","Polymorphism in pentacene","Acta Crystallographica Section C","2001","57","8","939","941","10.1107/S010827010100703X","","","","","","","","","","","","","","","","","","","","","has coordinates","277834","2022-09-14","16:39:43","" "2012159","7.1647","0.0004","7.9572","0.0004","8.0489","0.0005","67.905","0.003","86.956","0.003","65.744","0.002","384.84","0.04","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","2-Iodo-4-nitroaniline","","- C6 H5 I N2 O2 -","- C6 H5 I N2 O2 -","- C12 H10 I2 N4 O4 -","2","1","SK1480","McWilliam, Susan A.; Skakle, Janet M.S.; Low, John N.; Wardell, James L.; Garden, Simon J.; Pinto, Angelo C.; Torres, Jose C.; Glidewell, Christopher","Triclinic and orthorhombic polymorphs of 2-iodo-4-nitroaniline: interplay of hydrogen bonds, nitro···I interactions and aromatic π‒π-stacking interactions","Acta Crystallographica Section C","2001","57","8","942","945","10.1107/S0108270101007053","","","0.71073","MoKα","","0.0535","0.046","","","","0.12","","","","","","1.092","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00","" "2012160","7.4215","0.0005","12.6755","0.0009","16.4638","0.0011","90","","90","","90","","1548.77","0.18","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","2-Iodo-4-nitroaniline","","- C6 H5 I N2 O2 -","- C6 H5 I N2 O2 -","- C48 H40 I8 N16 O16 -","8","1","SK1480","McWilliam, Susan A.; Skakle, Janet M.S.; Low, John N.; Wardell, James L.; Garden, Simon J.; Pinto, Angelo C.; Torres, Jose C.; Glidewell, Christopher","Triclinic and orthorhombic polymorphs of 2-iodo-4-nitroaniline: interplay of hydrogen bonds, nitro···I interactions and aromatic π‒π-stacking interactions","Acta Crystallographica Section C","2001","57","8","942","945","10.1107/S0108270101007053","","","0.71073","MoKα","","0.1376","0.0631","","","","0.1798","","","","","","0.961","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00","" "2012161","14.7077","0.0005","10.1602","0.0004","6.7878","0.0002","90","","90","","90","","1014.32","0.06","150","2","150","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","2-Nitrodiphenylamine","","- C12 H10 N2 O2 -","- C12 H10 N2 O2 -","- C48 H40 N8 O8 -","4","1","SK1481","McWilliam, Susan A.; Skakle, Janet M. S.; Wardell, James L.; Low, John Nicolson; Glidewell, Christopher","Hydrogen-bonded chains in N-(2-nitrophenyl)phenylamine","Acta Crystallographica Section C","2001","57","8","946","948","10.1107/S0108270101008010","","","0.71073","MoKα","","0.0568","0.0456","","","","0.111","","","","","","1.075","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00","" "2012162","5.9217","0.0004","8.9858","0.0005","8.9987","0.0006","61.73","0.003","81.885","0.003","81.448","0.004","415.65","0.05","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","N,N'-Dimethylpiperazinium (2+) phosphonoacetate","","- C10 H24 N2 O10 P2 -","- C10 H24 N2 O10 P2 -","- C10 H24 N2 O10 P2 -","1","0.5","SK1482","Farrell, Dorcas M. M.; Ferguson, George; Lough, Alan J.; Glidewell, Christopher","N,N'-Dimethylpiperazinium(2+) phosphonoacetate: hydrogen-bonded anion sheets containing cation-templated R~6~^6^(28) rings","Acta Crystallographica Section C","2001","57","8","952","954","10.1107/S0108270101008022","","","0.71073","MoKα","","0.0777","0.0453","","","","0.1245","","","","","","1.04","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00","" "2012163","7.736","0.0002","10.2394","0.0004","29.7822","0.0011","90","","90","","90","","2359.11","0.14","150","2","150","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","Piperazinium(2+) bis(mandelate) bis(methanol) solvate","","- C22 H34 N2 O8 -","- C22 H34 N2 O8 -","- C88 H136 N8 O32 -","4","0.5","SK1483","Farrell, Dorcas M. M.; Ferguson, George; Lough, Alan J.; Glidewell, Christopher","Hydrogen-bonded bilayers in piperazinium(2+) bis(mandelate) bis(methanol) solvate","Acta Crystallographica Section C","2001","57","8","955","957","10.1107/S0108270101007922","","","0.71073","MoKα","","0.127","0.048","","","","0.133","","","","","","0.909","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00","" "2012164","4.964","0.0015","6.346","0.002","7.336","0.002","90","","107.25","0.02","90","","220.7","0.12","150","2","150","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","Sodium 2-nitroethanaloximate","","- C2 H3 N2 Na O3 -","- C2 H3 N2 Na O3 -","- C4 H6 N4 Na2 O6 -","2","0.5","SK1484","Ferguson, George; Lough, Alan J.; Smith, David M.; Zakaria, Choudhury M.; Glidewell, Christopher","Sodium 2-nitroethanaloximate forms a layered-framework structure","Acta Crystallographica Section C","2001","57","8","922","923","10.1107/S0108270101008125","","","0.71073","MoKα","","0.0778","0.0591","","","","0.1615","","","","","","1.069","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00","" "2012165","19.9616","0.0004","13.8047","0.0004","12.1531","0.0003","90","","90.508","0.001","90","","3348.82","0.14","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C20 H48 Cl2 Mn2 N9 O13 -","- C20 H48 Cl2 Mn2 N9 O13 -","- C80 H192 Cl8 Mn8 N36 O52 -","4","0.5","SK1485","Lu, Ying-Hong; Fun, Hoong-Kun; Chantrapromma, Suchada; Razak, Ibrahim Abdul; Shen, Zhen; Zuo, Jing-Lin; You, Xiao-Zeng","A mixed-valence manganese(III)‒manganese(IV) di-μ-oxo complex, [(cyclam)MnO]~2~(ClO~4~)~2~(NO~3~)","Acta Crystallographica Section C","2001","57","8","911","913","10.1107/S0108270101008617","","","0.71073","MoKα","","0.0564","0.0493","","","","0.1495","","","","","","1.07","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00","" "2012166","6.887","0.0014","12.851","0.003","22.462","0.005","90","","90","","90","","1988","0.8","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","N-Z-Pro-D-Leu","N-benzyloxycarbonyl-prolyl-D-leucine","","- C19 H26 N2 O5 -","- C19 H26 N2 O5 -","- C76 H104 N8 O20 -","4","1","SX1122","Birkedal, Henrik; Schwarzenbach, Dieter; Pattison, Philip","N-Z-Pro‒D-Leu using synchrotron radiation data from a very small crystal","Acta Crystallographica Section C","2001","57","8","975","977","10.1107/S0108270101008319","","","0.8008","synchrotron","","0.0448","0.0364","","","","0.1044","","","","","","1.045","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00","" "2012167","7.803","0.001","15.353","0.002","6.985","0.001","112.3","0.01","74.44","0.01","111.84","0.01","710.73","0.18","293","2","293","2","","","","","","","","4","P 1","P 1","1","MEM(TCNQ)2","1:2 Complex of N-Ethyl-N-methylmorpholine and 7,7,8,8-Tetracyano-p-quinodimethane","","- C31 H24 N9 O -","- C31 H24 N9 O -","- C31 H24 N9 O -","1","1","TA1335","Figgis, Brian N.; Sobolev, Alexandre N.; Kepert, Cameron J.; Kurmoo, Mohamedally","MEM(TCNQ)~2~ at room temperature and 10K, and the absence of a spin-Peierls transition","Acta Crystallographica Section C","2001","57","8","991","993","10.1107/S0108270101008794","","","0.71073","MoKα","","0.0725","0.0489","","","","0.158","","","","","","1.038","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00","" "2012168","7.773","0.001","15.315","0.002","6.8347","0.0009","113.249","0.008","73.569","0.009","111.796","0.009","685.2","0.16","10","0.5","10","0.5","","","","","","","","4","P 1","P 1","1","MEM(TCNQ)2","1:2 Complex of N-Ethyl-N-methylmorpholine and 7,7,8,8-Tetracyano-p-quinodimethane","","- C31 H24 N9 O -","- C31 H24 N9 O -","- C31 H24 N9 O -","1","1","TA1335","Figgis, Brian N.; Sobolev, Alexandre N.; Kepert, Cameron J.; Kurmoo, Mohamedally","MEM(TCNQ)~2~ at room temperature and 10K, and the absence of a spin-Peierls transition","Acta Crystallographica Section C","2001","57","8","991","993","10.1107/S0108270101008794","","","0.71073","MoKα","","0.0309","0.0304","","","","0.0853","","","","","","1.031","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00","" "2012169","9.1535","0.0011","17.337","0.002","16.637","0.002","90","","100.031","0.002","90","","2599.8","0.5","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Di-μ-phenylthiobis[bis(η^5^-methylcyclopentadienyl)(tetrahydrofuran) lanthanum(III)] bis(tetrahydrofuran) solvate","","- C52 H70 La2 O4 S2 -","- C52 H70 La2 O4 S2 -","- C104 H140 La4 O8 S4 -","2","0.5","VJ1111","Li, Huanrong; Yao, Yingming; Shen, Qi; Weng, Linhong","Di-μ-phenylthio-bis[bis(η^5^-methylcyclopentadienyl)(tetrahydrofuran)lanthanum(III)] bis(tetrahydrofuran) solvate","Acta Crystallographica Section C","2001","57","8","887","888","10.1107/S0108270100017996","","","0.71073","MoKα","","0.0475","0.0345","","","","0.0972","","","","","","1.067","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00","" "2012170","9.2347","0.0013","9.6814","0.0013","14.588","0.002","90","","95.948","0.002","90","","1297.2","0.3","296","2","296","2","","","","","","","","7","P 1 c 1","P -2yc","7","","(Nitro-κN)[2-(phenyldiazenyl-κN^2^)pyridine-κN] (2,2',6',2''-terpyridine-κ^3^N)ruthenium(II) tetrafluoroborate","","- C26 H20 B F4 N7 O2 Ru -","- C26 H20 B F4 N7 O2 Ru -","- C52 H40 B2 F8 N14 O4 Ru2 -","2","1","VJ1141","Hansongnern, Kanidtha; Saeteaw, Uraiwan; Cheng, Jack; Liao, Fen-Ling; Lu, Tian-Huey","(Nitro-κN)[2-(phenyldiazenyl-κN^2^)pyridine-κN](2,2':6',2''-terpyridine-κ^3^N)ruthenium(II) tetrafluoroborate","Acta Crystallographica Section C","2001","57","8","895","896","10.1107/S0108270101007715","","","0.71073","MoKα","","0.029","0.027","","","","0.068","","","","","","1.012","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00","" "2012171","8.0486","0.0001","9.6105","0.0001","9.6204","0.0001","60.1766","0.0006","66.7586","0.0007","85.3542","0.0007","586.973","0.013","293","1","293","1","","","","","","","","3","P -1","-P 1","2","TIM","1,3,5-triiodo-2,4,6-trimethylbenzene","","- C9 H9 I3 -","- C9 H9 I3 -","- C18 H18 I6 -","2","1","AV1075","Boudjada, Ali; Hernandez, Olivier; Meinnel, Jean; Mani, Mohammed; Paulus, Werner","1,3,5-Triiodo-2,4,6-trimethylbenzene at 293K","Acta Crystallographica Section C","2001","57","9","1106","1108","10.1107/S0108270101010113","","","0.71073","MoKα","","","0.03","","","","0.03","","","","","","1.118","","","","has coordinates","201957","2020-10-21","18:00:00","" "2012172","15.743","0.005","17.549","0.006","19.945","0.007","91.051","0.007","108.916","0.006","111.094","0.006","4806","3","110","1","110","1","","","","","","","","5","P -1","-P 1","2","","bis(μ-3,5-di-tert-butylcatecholato-O^1^:O^1^,O^2^)bis[tripyridinecadmium(II)] dipyridine solvate","","- C68 H80 Cd2 N8 O4 -","- C68 H80 Cd2 N8 O4 -","- C204 H240 Cd6 N24 O12 -","3","1.5","AV1076","Fukin, Georgy K.; Zakharov, Lev N.; Maslennikov, Stanislav V.; Piskunov, Alexander V.; Cherkasov, Vladimir K.","Bis(μ-3,5-di-tert-butylcatecholato-O^1^:O^1^,O^2^)bis[tris(pyridine-N)cadmium(II)] dipyridine solvate","Acta Crystallographica Section C","2001","57","9","1020","1021","10.1107/S010827010100854X","","","0.71073","MoKα","","0.089","0.05","","","","0.133","","","","","","0.964","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00","" "2012173","9.563","0.004","9.703","0.004","12.031","0.006","93.99","0.04","105.09","0.04","103.66","0.04","1037.1","0.9","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","Methyl isopropyl 2-methoxyiminomethyl-6-methyl-4-(3-nitrophenyl)-1,4-dihydro- pyridine-3,5-dicarboxylate","","- C20 H23 N3 O7 -","- C20 H23 N3 O7 -","- C40 H46 N6 O14 -","2","1","AV1077","Vrábel, Viktor; Lehotay, Jozef; Oktavec, Drahomír; Marchalín, Štefan","3-Methyl 5-isopropyl 2-methoxyiminomethyl-6-methyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate","Acta Crystallographica Section C","2001","57","9","1073","1074","10.1107/S0108270101009313","","","0.71069","MoKα","","0.1919","0.0518","","","","0.068","","","","","","0.783","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00","" "2012174","9.213","0.003","7.761","0.001","10.18","0.002","90","","118.04","0.02","90","","642.5","0.3","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","5-Nitro-2-nitromethyl-2H-1,2,3,4-tetrazole","","- C2 H2 N6 O4 -","- C2 H2 N6 O4 -","- C8 H8 N24 O16 -","4","1","AV1078","Vasiliev, Alexander D.; Astachov, Alexander M.; Golubtsova, Oksana A.; Pekhotin, Konstantin V.; Rogozin, Mark V.; Kruglyakova, Ludmila A.; Stepanov, Rudolf S.","5-Nitro-2-nitromethyl-2H-1,2,3,4-tetrazole","Acta Crystallographica Section C","2001","57","9","1101","1102","10.1107/S0108270101010125","","","1.5418","CuKα","","0.047","0.038","","","","0.108","","","","","","1.094","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00","" "2012175","11.1176","0.0001","11.5112","0.0001","17.1203","0.0001","90","","95.346","0.001","90","","2181.47","0.03","298","2","298","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Bis[μ-1,2-benzisothiazol-3(2H)-one 1,1-dioxido-κN:κO]bis{[1,2-benzisothiazol-3(2H)-one 1,1-dixoido-κN]bis(imidazole)copper(II)}","","- C40 H32 Cu2 N12 O12 S4 -","- C40 H32 Cu2 N12 O12 S4 -","- C80 H64 Cu4 N24 O24 S8 -","2","0.5","BJ1032","Naumov, Panče; Jovanovski, Gligor; Hu, Sheng-Zhi; Suh, Il-Hwan; Razak, Ibrahim Abdul; Chantrapromma, Suchada; Fun, Hoong-Kun; Ng, Seik Weng","On the short carbonyl bond in bis[μ-1,2-benzisothiazol-3(2H)-one 1,1-dioxido-κ^2^N:O]bis{[1,2-benzisothiazol-3(2H)-one 1,1-dioxido-κN]bis(imidazole)copper(II)}","Acta Crystallographica Section C","2001","57","9","1016","1019","10.1107/S0108270101009507","","","0.71073","MoKα","","0.067","0.051","","","","0.139","","","","","","0.984","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00","" "2012176","14.393","0.005","8.201","0.002","12.606","0.004","90","","113.17","0.02","90","","1368","0.8","143","2","143","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C11 H14 N2 O5 S2 -","- C11 H14 N2 O5 S2 -","- C44 H56 N8 O20 S8 -","4","1","BM1460","Dalluhn, Jörg; Pröhl, Hans-Heinrich; Fischer, Axel K.; Jones, Peter G.; Blaschette, Armand","Polysulfonylamines. CXLV. N-Diethylcarbamoyl-o-benzenedisulfonimide, a urea with non-planar geometry at nitrogen and an amide single bond","Acta Crystallographica Section C","2001","57","9","1109","1111","10.1107/S0108270101010605","","","0.71073","MoKα","","0.0501","0.0403","","","","0.109","","","","","","1.043","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00","" "2012177","4.8149","0.0003","24.6603","0.0015","6.9111","0.0004","90","","106.418","0.001","90","","787.14","0.08","293","2","293","2","","","","","","","","5","C 1 c 1","C -2yc","9","Tin Phenyl Phosphonate","Tin(II) Phenyl Phosphonate","","- C6 H5 O3 P Sn -","- C6 H5 O3 P Sn -","- C24 H20 O12 P4 Sn4 -","4","1","BR1323","Lansky, David E.; Zavalij, Peter Y.; Oliver, Scott R. J.","A layered tin(II) phosphonate, [Sn(C~6~H~5~O~3~P)]~n~","Acta Crystallographica Section C","2001","57","9","1051","1052","10.1107/S0108270101010034","","","0.71073","MoKα","","0.031","0.029","","","","0.066","","","","","","1.072","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00","" "2012178","7.0402","0.0004","14.9404","0.0008","7.0433","0.0004","90","","90.702","0.001","90","","740.78","0.07","295","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Lithium Aluminum Boron Oxide (2/1/5/10)","","- Al B5 Li2 O10 -","- Al B5 Li2 O10 -","- Al4 B20 Li8 O40 -","4","1","","He, Meng; Li, Hui; Chen, Xiaolong; Xu, Yanping; Xu, Tao","Li~2~AlB~5~O~10~","Acta Crystallographica, Section C: Crystal Structure Communications","2001","57","9","1010","1011","10.1107/S0108270101006205","","","","","","0.034","","","","","","","","","","","","","","","has coordinates","190401","2020-10-21","18:00:00","" "2012179","10.539","0.002","10.539","0.002","10.539","0.002","90","","90","","90","","1170.6","0.4","293","2","293","2","","","","","","","","3","F d -3 m :2","-F 4vw 2vw 3","227","tin niobate","Tin niobate","","- Nb1.84 O6.35 Sn1.59 -","- Nb1.84 O6.352 Sn1.5896 -","- Nb14.72 O50.816 Sn12.7168 -","8","0.0416667","BR1329","Cruz, Luisa Paula; Savariault, Jean-Michel; Rocha, João","Pyrochlore-type tin niobate","Acta Crystallographica Section C","2001","57","9","1001","1003","10.1107/S0108270101010320","","","0.71073","MoKα","","0.0341","0.0268","","0.0631","","0.0598","","","0.943","","","0.969","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00","" "2012180","5.4809","0.0003","5.4804","0.0003","26.5533","0.0016","89.999","0.004","90.245","0.004","89.999","0.005","797.59","0.08","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- Ca2 Li Nb3 O10 -","- Ca2 Li Nb3 O10 -","- Ca8 Li4 Nb12 O40 -","4","2","BR1337","Ishizawa, Nobuo; Yamashita, Reiko; Oishi, Shuji; Hester, James R.; Kishimoto, Shunji","A synchrotron X-ray study of triclinic LiCa~2~Nb~3~O~10~ with perovskite-type slabs","Acta Crystallographica Section C","2001","57","9","1006","1009","10.1107/S0108270101009453","","","0.75008","synchrotron","","0.059","0.051","","","","0.169","","","","","","0.941","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00","" "2012181","8.2596","0.0004","6.8752","0.0003","7.1394","0.0003","90","","103.121","0.002","90","","394.84","0.03","293","","293","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- Cl In O3 Te -","- Cl In O3 Te -","- Cl4 In4 O12 Te4 -","4","1","BR1338","Gaudin, Etienne; Chaminade, Jean-Pierre; El Abed, Ahmed; Darriet, Jacques","Indium tellurium trioxide chloride, InTeO~3~Cl","Acta Crystallographica Section C","2001","57","9","1004","1005","10.1107/S0108270101009325","","","0.71073","MoKα","","0.047","0.037","","","","0.093","","","","","","1.3","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00","" "2012182","5.826","0.0005","5.252","0.0007","5.832","0.0007","90","","113.86","0.02","90","","163.2","0.04","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","Anhydrous cadmium oxalate","Anhydrous cadmium oxalate","","- C2 Cd O4 -","- C2 Cd O4 -","- C4 Cd2 O8 -","2","0.5","BR1339","Jeanneau, Erwann; Audebrand, Nathalie; Louër, Daniel","β-CdC~2~O~4~","Acta Crystallographica Section C","2001","57","9","1012","1013","10.1107/S0108270101009581","","","0.71073","MoKα","","0.032","0.022","","","","0.055","","","","","","1.095","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00","" "2012183","5.172","0.003","5.172","0.003","4.141","0.002","90","","90","","120","","95.93","0.09","293","2","293","2","","","","","","","","3","P 6/m m m","-P 6 2","191","","Yttrium tricopper dialuminium","","- Al2.04 Cu2.96 Y -","- Al2.07 Cu2.942 Y -","- Al2.07 Cu2.942 Y -","1","0.0416667","BR1341","Karim, Kadir; Tetsuo, Sakai; Itsuki, Uehara; Lars, Eriksson","YCu~3~Al~2~, an example of an AB~5~ structure type","Acta Crystallographica Section C","2001","57","9","999","1000","10.1107/S0108270101010009","","","0.71073","MoKα","","0.0218","0.0206","","","","0.0552","","","","","","1.376","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00","" "2012184","13.849","0.001","7.565","0.001","18.554","0.005","90","","101.9","0.01","90","","1902.1","0.6","293","2","293","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","(H-thiamine)bis(tetrafluoroborate)","3-[(4-amino-2-methyl-5-pyrimidinio)methyl]-5-(2-hydroxyethyl)- 4-methylthiazolium(2+) bis(tetrafluoroborate)","","- C12 H18 B2 F8 N4 O S -","- C12 H18 B2 F8 N4 O S -","- C48 H72 B8 F32 N16 O4 S4 -","4","1","DA1186","Hu, Ning-Hai; Aoki, Katsuyuki; Adeyemo, Adegboye O.; Williams, George N.","Host‒guest-like thiamine‒anion complexation in thiaminium bis(tetrafluoroborate)","Acta Crystallographica Section C","2001","57","9","1064","1066","10.1107/S0108270101009222","","","0.71073","MoKα","","0.1332","0.0552","","","","0.124","","","","","","0.99","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00","" "2012185","15.5712","0.0008","11.5546","0.0006","11.2428","0.0006","90","","97.076","0.001","90","","2007.39","0.18","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C19 H13 N7 Ni2 O -","- C9.5 H6.5 N3.5 Ni O0.5 -","- C76 H52 N28 Ni8 O4 -","8","1","DA1188","Woodward, Jonathan D.; Backov, Rénal; Abboud, Khalil A.; Talham, Daniel R.","[Ni(terpy)(H~2~O)]-trans-[Ni-(μ-CN)~2~-(CN)~2~]~n~, a one-dimensional linear tetracyanonickelate chain","Acta Crystallographica Section C","2001","57","9","1027","1029","10.1107/S0108270101009234","","","0.71073","MoKα","","0.0549","0.0309","","","","0.0721","","","","","","1.074","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00","" "2012186","7.445","0.0002","9.52","0.0003","10.939","0.0003","105.051","0.002","103.154","0.002","93.083","0.002","723.8","0.04","293","2","293","2","","","","","","","","3","P -1","-P 1","2","6-dehydroxyjacareubin","1,5-dihydroxy-2^,^,2^,^-dimethylpyrano-5^,^,6^,^:2,3-xanthone","","- C18 H14 O5 -","- C18 H14 O5 -","- C36 H28 O10 -","2","1","DA1189","Doriguetto, Antonio C.; Santos, Marcelo H.; Ellena, Javier A.; Nagem, Tanus J.","6-Deoxyjacareubin","Acta Crystallographica Section C","2001","57","9","1095","1097","10.1107/S0108270101009246","","","0.7107","MoKα","","0.0661","0.0514","","","","0.1502","","","","","","1.021","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00","" "2012187","22.759","0.005","13.618","0.002","15.813","0.003","90","","104.34","0.01","90","","4748.3","1.6","294","","","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Bis(tetraphenylphosphonium) (trioxalato-O,O')germanate(IV)","","- C54 H40 Ge O12 P2 -","- C54 H40 Ge O12 P2 -","- C216 H160 Ge4 O48 P8 -","4","0.5","DA1190","Dean, Philip A. W.; Dance, Ian G.; Craig, Donald C.; Scudder, Marcia L.","Bis(tetraphenylphosphonium) tris(oxalato-O,O')germanate(IV)","Acta Crystallographica Section C","2001","57","9","1030","1031","10.1107/S0108270101009258","","","1.5418","CuKα","","","0.034","","","","0.05","","","","","","1.78","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00","" "2012188","10.906","0.002","8.052","0.004","17.195","0.003","90","","95.98","0.02","90","","1501.8","0.8","170","2","170","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","cis-4-oxa-1-decalinol p-bromobenzoate","cis-4-oxa-1-decalinyl p-bromobenzoate","","- C16 H19 Br O3 -","- C16 H19 Br O3 -","- C64 H76 Br4 O12 -","4","1","DA1192","Parvez, Masood; Yadav, Veejendra K.; Balamurugan, Rengarajan","π-Facial selectivities of diastereotopic ketones: p-bromobenzoates of 4-hetero-1-decalinols","Acta Crystallographica Section C","2001","57","9","1084","1088","10.1107/S0108270101009544","","","0.71069","MoKα","","0.322","0.042","","","","0.109","","","","","","0.94","","","","has coordinates","176760","2020-10-21","18:00:00","" "2012189","9.643","0.002","10.679","0.002","8.772","0.002","96.32","0.02","111.32","0.02","110.49","0.02","758.5","0.3","293","2","293","2","","","","","","","","4","P -1","-P 1","2","trans-4-oxa-1-decalinol p-bromobenzoate","trans-4-oxa-1-decalinyl p-bromobenzoate","","- C16 H19 Br O3 -","- C16 H19 Br O3 -","- C32 H38 Br2 O6 -","2","1","DA1192","Parvez, Masood; Yadav, Veejendra K.; Balamurugan, Rengarajan","π-Facial selectivities of diastereotopic ketones: p-bromobenzoates of 4-hetero-1-decalinols","Acta Crystallographica Section C","2001","57","9","1084","1088","10.1107/S0108270101009544","","","0.71069","MoKα","","0.165","0.039","","","","0.13","","","","","","0.98","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00","" "2012190","11.914","0.003","13.144","0.003","6.922","0.002","96.06","0.02","106.22","0.02","100.42","0.03","1009.6","0.5","170","2","170","2","","","","","","","","5","P -1","-P 1","2","N-benzyl-cis-4-aza-1-decalinol p-bromobenzoate","N-benzyl-cis-4-aza-1-decalinyl p-bromobenzoate","","- C23 H26 Br N O2 -","- C23 H26 Br N O2 -","- C46 H52 Br2 N2 O4 -","2","1","DA1192","Parvez, Masood; Yadav, Veejendra K.; Balamurugan, Rengarajan","π-Facial selectivities of diastereotopic ketones: p-bromobenzoates of 4-hetero-1-decalinols","Acta Crystallographica Section C","2001","57","9","1084","1088","10.1107/S0108270101009544","","","0.71069","MoKα","","0.207","0.04","","","","0.11","","","","","","0.95","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00","" "2012191","9.561","0.002","9.822","0.002","13.202","0.003","78.34","0.02","78.21","0.02","61.92","0.03","1062.7","0.5","293","2","293","2","","","","","","","","5","P -1","-P 1","2","N-benzyl-trans-4-aza-1-decalinol p-bromobenzoate","N-benzyl-trans-4-aza-1-decalinyl p-bromobenzoate","","- C23 H26 Br N O2 -","- C23 H26 Br N O2 -","- C46 H52 Br2 N2 O4 -","2","1","DA1192","Parvez, Masood; Yadav, Veejendra K.; Balamurugan, Rengarajan","π-Facial selectivities of diastereotopic ketones: p-bromobenzoates of 4-hetero-1-decalinols","Acta Crystallographica Section C","2001","57","9","1084","1088","10.1107/S0108270101009544","","","1.54178","CuKα","","0.074","0.046","","","","0.135","","","","","","1.03","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00","" "2012192","8.886","0.002","5.3714","0.0009","16.599","0.003","90","","92.7","0.02","90","","791.4","0.3","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","trans-4-thia-1-decalinol p-bromobenzoate","trans-4-thia-1-decalinyl p-bromobenzoate","","- C16 H19 Br O2 S -","- C16 H19 Br O2 S -","- C32 H38 Br2 O4 S2 -","2","1","DA1192","Parvez, Masood; Yadav, Veejendra K.; Balamurugan, Rengarajan","π-Facial selectivities of diastereotopic ketones: p-bromobenzoates of 4-hetero-1-decalinols","Acta Crystallographica Section C","2001","57","9","1084","1088","10.1107/S0108270101009544","","","1.54178","CuKα","","0.051","0.048","","","","0.133","","","","","","1.04","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00","" "2012193","12.329","0.01","20.245","0.01","31.691","0.01","90","","90","","90","","7910","8","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","Amphisin tetrahydrate","R-β-hydroxydecanoyl-D-Leu-D-Asp-D-allo-Thr-D-Leu-D-Leu-D-Ser-L-Leu- D-Gln-L-Leu-L-Ile-L-Asp tetrahydrate","","- C66 H122 N12 O24 -","- C66 H116 N12 O24 -","- C264 H464 N48 O96 -","4","1","DA1195","Sørensen, Dan; Nielsen, Tommy H.; Christophersen, Carsten; Sørensen, Jan; Gajhede, Michael","Cyclic lipoundecapeptide amphisin from Pseudomonas sp. strain DSS73","Acta Crystallographica Section C","2001","57","9","1123","1124","10.1107/S0108270101010782","","","0.71075","MoKα","","0.0566","0.0437","","","","0.1571","","","","","","0.863","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00","" "2012194","7.3677","0.0009","10.054","0.001","16.834","0.002","90","","90","","90","","1247","0.2","293","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C13 H12 N2 O4 -","- C13 H12 N2 O4 -","- C52 H48 N8 O16 -","4","1","DA1198","Zukerman-Schpector, J.; Vega, Mauricio; Caracelli, I.; Dias, Luiz C.; Fernandes, Anna M. A. P.","Two intermediates in the synthesis of decahydroisoquinolines with NMDA and AMPA receptor antagonist activity","Acta Crystallographica Section C","2001","57","9","1089","1091","10.1107/S0108270101009702","","","0.71073","MoKα","","0.1248","0.037","","0.1314","","0.1031","","","0.984","","","0.984","","","","has coordinates","201957","2020-10-21","18:00:00","" "2012195","10.2455","0.0009","12.664","0.001","27.446","0.003","90","","97.441","0.009","90","","3531.1","0.6","293","","","","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","","","- C18 H20 N2 O6 -","- C18 H20 N2 O6 -","- C144 H160 N16 O48 -","8","1","DA1198","Zukerman-Schpector, J.; Vega, Mauricio; Caracelli, I.; Dias, Luiz C.; Fernandes, Anna M. A. P.","Two intermediates in the synthesis of decahydroisoquinolines with NMDA and AMPA receptor antagonist activity","Acta Crystallographica Section C","2001","57","9","1089","1091","10.1107/S0108270101009702","","","0.71073","MoKα","","0.1152","0.0442","","0.1393","","0.1129","","","1.008","","","1.008","","","","has coordinates,has Fobs","176428","2020-10-21","18:00:00","" "2012196","15.3399","0.0013","16.2211","0.0013","15.6888","0.0013","90","","113.101","0.001","90","","3590.8","0.5","173","2","173","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C37 H32 Cl3 N O4 P2 S -","- C37 H32 Cl3 N O4 P2 S -","- C148 H128 Cl12 N4 O16 P8 S4 -","4","1","DE1168","Guzei, Ilia A.; Dougan, Jeffrey S.; Treichel, Paul M. Jr","Hydrogen bonding in bis(triphenylphosphine-P)iminium hydrogensulfate chloroform solvate","Acta Crystallographica Section C","2001","57","9","1060","1061","10.1107/S0108270101006710","","","0.71073","MoKα","","0.0942","0.0612","","","","0.153","","","","","","0.988","","","","has coordinates","201957","2020-10-21","18:00:00","" "2012197","7.415","0.0003","7.9299","0.0003","8.8881","0.0004","81.578","0.002","69.26","0.002","85.453","0.002","483.27","0.04","173","2","173","2","","","","","","","","3","P -1","-P 1","2","","Bis(2,4,7-trimethylindenyl)cobalt(II)","","- C24 H26 Co -","- C24 H26 Co -","- C24 H26 Co -","1","0.5","DE1172","Raubenheimer, Helgard G.; Stenzel, Oleg; Esterhuysen, Matthias W.","Bis(2,4,7-trimethylindenyl)cobalt(II) and rac-2,2',4,4',7,7'-hexamethyl-1,1'-biindene","Acta Crystallographica Section C","2001","57","9","1056","1059","10.1107/S010827010100974X","","","0.71073","MoKα","","0.033","0.0309","","","","0.0744","","","","","","1.131","","","","has coordinates","176760","2020-10-21","18:00:00","" "2012198","12.1229","0.0004","9.688","0.0004","15.7045","0.0006","90","","102.942","0.002","90","","1797.59","0.12","173","2","173","2","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","","rac-1,1'-Bis(2,4,7-trimethylindene)","","- C24 H26 -","- C24 H26 -","- C96 H104 -","4","1","DE1172","Raubenheimer, Helgard G.; Stenzel, Oleg; Esterhuysen, Matthias W.","Bis(2,4,7-trimethylindenyl)cobalt(II) and rac-2,2',4,4',7,7'-hexamethyl-1,1'-biindene","Acta Crystallographica Section C","2001","57","9","1056","1059","10.1107/S010827010100974X","","","0.71073","MoKα","","0.11","0.0476","","","","0.1147","","","","","","0.953","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00","" "2012199","7.679","0.001","14.644","0.002","12.461","0.001","90","","96.43","0.01","90","","1392.4","0.3","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","(-)-dioxosantadienic acid","(-)-2-(1,2,3,4,6,8a-hexahydro-5,8a-dimethyl-4,6-dioxo-3-naphthyl)propionic acid","","- C15 H18 O4 -","- C15 H18 O4 -","- C60 H72 O16 -","4","2","FG1635","Brunskill, Andrew P. J.; Lalancette, Roger A.; Thompson, Hugh W.","(‒)-Dioxosantadienic acid: hydrogen-bonding patterns in a bicyclic sesquiterpenoid keto acid and its monohydrate","Acta Crystallographica Section C","2001","57","9","1075","1078","10.1107/S0108270101009441","","","0.71073","MoKα","","0.046","0.033","","","","0.077","","","","","","1.08","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00","" "2012200","8.72","0.001","18.17","0.003","9.589","0.002","90","","100.13","0.02","90","","1495.6","0.4","248","2","248","2","","","","","","","","3","P 1 21 1","P 2yb","4","(-)-dioxosantadienic acid monohydrate","(-)-2-(1,2,3,4,6,8a-hexahydro-5,8a-dimethyl-4,6-dioxo-3-naphthyl)propionic acid monohydrate","","- C15 H20 O5 -","- C15 H20 O5 -","- C60 H80 O20 -","4","2","FG1635","Brunskill, Andrew P. J.; Lalancette, Roger A.; Thompson, Hugh W.","(‒)-Dioxosantadienic acid: hydrogen-bonding patterns in a bicyclic sesquiterpenoid keto acid and its monohydrate","Acta Crystallographica Section C","2001","57","9","1075","1078","10.1107/S0108270101009441","","","0.71073","MoKα","","0.088","0.052","","","","0.103","","","","","","1.05","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00","" "2012201","11.21","0.004","17.709","0.003","9.2126","0.0016","90","","107.423","0.019","90","","1745","0.8","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C24 H62 Cl2 Cu N6 O10 -","- C24 H62 Cl2 Cu N6 O10 -","- C48 H124 Cl4 Cu2 N12 O20 -","2","0.5","FR1322","Choi, Ki-Young; Kim, Yong-Son; Choo, Geum-Hong; Kim, Jin-Gyu; Suh, Il-Hwan","[2,13-Bis(acetamido)-5,16-dimethyl-2,6,13,17-tetraazatricyclo[16.4.0.0^7,12^]docosane]copper(II) dichloride octahydrate","Acta Crystallographica Section C","2001","57","9","1014","1015","10.1107/S0108270101004024","","","0.71073","MoKα","","0.047","0.035","","","","0.092","","","","","","1.075","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00","" "2012202","23.441","0.003","10.1303","0.0014","13.5222","0.0017","90","","73.822","0.01","90","","3083.9","0.7","295","","","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C17 H10 S4 -","- C17 H10 S4 -","- C136 H80 S32 -","8","2","FR1332","Kaynak, F. Betül; Özbey, Süheyla; Öztürk, Turan; Ertaş, Erdal","5,6-Diphenylthieno[2,3-d][1,3]dithiole-2-thione","Acta Crystallographica Section C","2001","57","9","1125","1126","10.1107/S0108270101010988","","","0.71073","MoKα","","","0.0334","","","","0.0985","","","","","","1.065","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00","" "2012203","10.281","0.002","17.244","0.003","26.382","0.005","90","","90","","90","","4677.1","1.5","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","cis-dichlorobis(diphenylsulfide)platinum(II)","","- C24 H20 Cl2 Pt S2 -","- C24 H20 Cl2 Pt S2 -","- C192 H160 Cl16 Pt8 S16 -","8","1","GD1157","Johansson, Maria H.; Oskarsson, Åke; Lövqvist, Karin; Kiriakidou, Fotini; Kapoor, Pramesh","Cis- and trans-influences in [PtCl~2~(SPh~2~)~2~]","Acta Crystallographica Section C","2001","57","9","1053","1055","10.1107/S010827010100960X","","","0.71073","MoKα","","0.0759","0.0454","","","","0.1061","","","","","","1.157","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00","" "2012204","5.8742","0.0012","16.98","0.003","11.733","0.002","90","","97.99","0.03","90","","1158.9","0.4","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","trans-dichlorobis(diphenylsulfide)platinum(II)","","- C24 H20 Cl2 Pt S2 -","- C24 H20 Cl2 Pt S2 -","- C48 H40 Cl4 Pt2 S4 -","2","0.5","GD1157","Johansson, Maria H.; Oskarsson, Åke; Lövqvist, Karin; Kiriakidou, Fotini; Kapoor, Pramesh","Cis- and trans-influences in [PtCl~2~(SPh~2~)~2~]","Acta Crystallographica Section C","2001","57","9","1053","1055","10.1107/S010827010100960X","","","0.71073","MoKα","","0.049","0.0361","","","","0.0997","","","","","","1.086","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00","" "2012205","7.4906","0.0002","10.2409","0.0002","13.1449","0.0003","104.961","0.0009","90.7398","0.0009","101.245","0.0009","953.34","0.04","150","1","150","1","","","","","","","","4","P -1","-P 1","2","","5-(ethylcarboxylate)-6-methoxy-2-pyrimidinamine","","- C9 H12 N2 O3 -","- C9 H12 N2 O3 -","- C36 H48 N8 O12 -","4","2","GD1162","Garcia, Celeste; Quesada, Antonio; Melguizo, Manuel; Cobo, Justo; Nogueras, Manuel; Sánchez, Adolfo; Cannon, Debbie; Low, John Nicolson","Ethyl 6-amino-2-methoxypyridine-3-carboxylate, interplay of molecular and supramolecular structure","Acta Crystallographica Section C","2001","57","9","1103","1105","10.1107/S0108270101010228","","","0.71073","MoKα","","0.0614","0.0509","","","","0.142","","","","","","1.045","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00","" "2012206","12.7183","0.0002","15.3106","0.0003","12.8865","0.0002","90","","90.482","0.0009","90","","2509.23","0.07","150","2","150","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","tetra(2-Amino-5-methyl-1,3,4-thiadiazole-N)chlorocopper(II) chloride hydrate","","- C12 H22 Cl2 Cu N12 O S4 -","- C12 H22 Cl2 Cu N12 O S4 -","- C48 H88 Cl8 Cu4 N48 O4 S16 -","4","1","GG1063","Lynch, Daniel E.; Ewington, Jonathan","Tetrakis(2-amino-5-methyl-1,3,4-thiadiazole-N^3^)chlorocopper(II) chloride monohydrate and tetrakis(2-amino-5-ethyl-1,3,4-thiadiazole-N^3^)chlorocopper(II) chloride","Acta Crystallographica Section C","2001","57","9","1032","1035","10.1107/S0108270101009489","","","0.71073","MoKα","","0.0558","0.0391","","","","0.1048","","","","","","0.85","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00","" "2012207","12.3273","0.0017","12.3273","0.0017","17.705","0.004","90","","90","","90","","2690.5","0.8","150","2","150","2","","","","","","","","6","P 4/n c c :2","-P 4a 2ac","130","","tetra(2-amino-5-ethyl-1,3,4-thiadiazole-N)chlorocopper(II) chloride","","- C16 H28 Cl2 Cu N12 S4 -","- C16 H28 Cl2 Cu N12 S4 -","- C64 H112 Cl8 Cu4 N48 S16 -","4","0.25","GG1063","Lynch, Daniel E.; Ewington, Jonathan","Tetrakis(2-amino-5-methyl-1,3,4-thiadiazole-N^3^)chlorocopper(II) chloride monohydrate and tetrakis(2-amino-5-ethyl-1,3,4-thiadiazole-N^3^)chlorocopper(II) chloride","Acta Crystallographica Section C","2001","57","9","1032","1035","10.1107/S0108270101009489","","","0.71073","MoKα","","0.041","0.0322","","","","0.088","","","","","","1.04","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00","" "2012208","9.6242","0.0002","11.9846","0.0003","14.5866","0.0003","90","","106.105","0.0017","90","","1616.42","0.06","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Dichlorobis(4-methylpentane-2-onato-C^4^,O)tin(IV)","","- C12 H22 Cl2 O2 Sn -","- C12 H22 Cl2 O2 Sn -","- C48 H88 Cl8 O8 Sn4 -","4","1","GG1064","Howie, R. Alan; Wardell, James L.","Dichlorobis(4-methylpentan-2-onato-C^4^,O)tin(IV) and bis(4-methylpentan-2-onato-C^4^,O)(2-thioxo-1,3-dithiole-4,5-dithiolato-S,S')tin(IV) at 150K","Acta Crystallographica Section C","2001","57","9","1041","1043","10.1107/S0108270101009659","","","0.71073","MoKα","","0.0348","0.0279","","","","0.0743","","","","","","1.082","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00","" "2012209","11.067","0.0002","15.4499","0.0004","12.2682","0.0002","90","","94.7892","0.0016","90","","2090.34","0.07","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Bis(4-methylpentan-2-onato-C^4^,O)(2-thioxo-1,3-dithiole-4,5-dithiolato- S,S')tin(IV)","","- C15 H22 O2 S5 Sn -","- C15 H22 O2 S5 Sn -","- C60 H88 O8 S20 Sn4 -","4","1","GG1064","Howie, R. Alan; Wardell, James L.","Dichlorobis(4-methylpentan-2-onato-C^4^,O)tin(IV) and bis(4-methylpentan-2-onato-C^4^,O)(2-thioxo-1,3-dithiole-4,5-dithiolato-S,S')tin(IV) at 150K","Acta Crystallographica Section C","2001","57","9","1041","1043","10.1107/S0108270101009659","","","0.71073","MoKα","","0.038","0.0289","","","","0.0678","","","","","","1.04","","","","has coordinates","176760","2020-10-21","18:00:00","" "2012210","11.137","0.002","12.671","0.003","14.409","0.003","64.28","0.03","85.77","0.03","78.28","0.03","1793.5","0.8","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","trans-Bis(2-amino-6-nitro-1,3-benzothiazole-N)dichloroplatinum(II) tetrakis(N,N'-dimethylformamide) solvate","","- C26 H38 Cl2 N10 O8 Pt S2 -","- C26 H38 Cl2 N10 O8 Pt S2 -","- C52 H76 Cl4 N20 O16 Pt2 S4 -","2","1","GG1066","Daniel E. Lynch; Helen L. Duckhouse","trans-Bis(2-amino-6-nitro-1,3-benzothiazole-N)dichloroplatinum(II) tetrakis(N,N'-dimethylformamide) solvate and tetrakis(2-amino-5-methyl-1,3,4-thiadiazole-N^4^)platinum(II) hexachloroplatinate(IV) bis(N,N'-dimethylformamide) solvate","Acta Crystallographica Section C","2001","57","9","1036","1038","10.1107/S0108270101009933","","","0.71073","MoKα","","0.0449","0.037","","","","0.0938","","","","","","1.044","","","","has coordinates","176760","2020-10-21","18:00:00","" "2012211","9.0397","0.0004","9.3009","0.0004","11.5241","0.0005","109.027","0.002","91.85","0.003","91.785","0.003","914.61","0.07","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","Tetrakis(2-amino-5-methyl-1,3,4-thiadiazole-N^4^)platinum(II) hexachloroplatinate(IV) bis(N,N'-dimethylformamide) solvate","","- C18 H34 Cl6 N14 O2 Pt2 S4 -","- C18 H34 Cl6 N14 O2 Pt2 S4 -","- C18 H34 Cl6 N14 O2 Pt2 S4 -","1","0.5","GG1066","Daniel E. Lynch; Helen L. Duckhouse","trans-Bis(2-amino-6-nitro-1,3-benzothiazole-N)dichloroplatinum(II) tetrakis(N,N'-dimethylformamide) solvate and tetrakis(2-amino-5-methyl-1,3,4-thiadiazole-N^4^)platinum(II) hexachloroplatinate(IV) bis(N,N'-dimethylformamide) solvate","Acta Crystallographica Section C","2001","57","9","1036","1038","10.1107/S0108270101009933","","","0.71073","MoKα","","0.069","0.0478","","","","0.1352","","","","","","1.067","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00","" "2012212","7.5309","0.0016","9.5789","0.0014","13.893","0.002","80.234","0.009","82.252","0.014","73.959","0.01","945.1","0.3","140","2","140","2","","","","","","","","6","P -1","-P 1","2","","N-[5-(4-Chlorophenyl)furan-2-ylmethyl]-4-methyl-N-prop-2- ynylbenzenesulfonamide","","- C21 H18 Cl N O3 S -","- C21 H18 Cl N O3 S -","- C42 H36 Cl2 N2 O6 S2 -","2","1","JZ1466","Bats, Jan W.; Frost, Tanja M.; Hashmi, A. Stephen K.","Two isomorphous benzenesulfonamide crystal structures determined by intermolecular C—H···O, C—H···π and C—H···Cl interactions","Acta Crystallographica Section C","2001","57","9","1081","1083","10.1107/S0108270101009465","","","0.71073","MoKα","","0.0771","0.0465","","","","0.1073","","","","","","1.032","","","","has coordinates","201957","2020-10-21","18:00:00","" "2012213","7.6526","0.0013","9.679","0.002","13.6308","0.0019","79.91","0.013","75.152","0.013","74.435","0.012","934","0.3","140","2","140","2","","","","","","","","6","P -1","-P 1","2","","N-[5-(2-Chlorophenyl)furan-2-ylmethyl]-4-methyl-N-prop-2- ynylbenzenesulfonamide","","- C21 H18 Cl N O3 S -","- C21 H18 Cl N O3 S -","- C42 H36 Cl2 N2 O6 S2 -","2","1","JZ1466","Bats, Jan W.; Frost, Tanja M.; Hashmi, A. Stephen K.","Two isomorphous benzenesulfonamide crystal structures determined by intermolecular C—H···O, C—H···π and C—H···Cl interactions","Acta Crystallographica Section C","2001","57","9","1081","1083","10.1107/S0108270101009465","","","0.71073","MoKα","","0.0629","0.0412","","","","0.0941","","","","","","1.036","","","","has coordinates","201957","2020-10-21","18:00:00","" "2012214","11.603","0.004","7.596","0.001","24.11","0.004","90","","96.44","0.02","90","","2111.6","0.9","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","4'-{[benzoyl(4-chlorophenylhydrazono)methyl]sulfonyl}acetanilide","","- C22 H18 Cl N3 O4 S -","- C22 H18 Cl N3 O4 S -","- C88 H72 Cl4 N12 O16 S4 -","4","1","JZ1471","Wolf, Wojciech M.","X-ray investigations of sulfur-containing fungicides. IV. 4'-{[Benzoyl(4-chlorophenylhydrazono)methyl]sulfonyl}acetanilide and 4'-{[benzoyl(4-methoxyphenylhydrazono)methyl]sulfonyl}acetanilide","Acta Crystallographica Section C","2001","57","9","1112","1115","10.1107/S0108270101010642","","","0.71073","MoKα","","0.087","0.05","","","","0.135","","","","","","1.059","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00","" "2012215","11.4897","0.0012","7.4158","0.0009","25.507","0.003","90","","91.53","0.03","90","","2172.6","0.4","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","4'-{[benzoyl(4-methoxyphenylhydrazono)methyl]sulfonyl}acetanilide","","- C23 H21 N3 O5 S -","- C23 H21 N3 O5 S -","- C92 H84 N12 O20 S4 -","4","1","JZ1471","Wolf, Wojciech M.","X-ray investigations of sulfur-containing fungicides. IV. 4'-{[Benzoyl(4-chlorophenylhydrazono)methyl]sulfonyl}acetanilide and 4'-{[benzoyl(4-methoxyphenylhydrazono)methyl]sulfonyl}acetanilide","Acta Crystallographica Section C","2001","57","9","1112","1115","10.1107/S0108270101010642","","","0.71073","MoKα","","0.07","0.042","","","","0.127","","","","","","1.033","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00","" "2012216","11.0203","0.0011","12.239","0.0013","15.354","0.0015","66.785","0.007","83.551","0.005","72.854","0.008","1818.6","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","tetrakis(μ-2,3-dimethoxybenzoato)-κ^4^O:O';κ^6^O,O':O'- bis[(2,2'-bipyridine-N,N')(2,3-dimethoxybenzoato-O,O')lanthanum(III)]","","- C74 H70 La2 N4 O24 -","- C74 H70 La2 N4 O24 -","- C74 H70 La2 N4 O24 -","1","0.5","NA1525","Zou, Ying-Quan; Li, Xia; Li, Yan; Hu, Huai-Ming","Tetrakis(μ-2,3-dimethoxybenzoato)bis[(2,2'-bipyridine)(2,3-dimethoxybenzoato)lanthanum(III)]","Acta Crystallographica Section C","2001","57","9","1048","1050","10.1107/S0108270101009337","","","0.71073","MoKα","","0.037","0.035","","","","0.091","","","","","","1.073","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00","" "2012217","11.295","0.001","11.295","0.001","9.2","0.001","90","","90","","90","","1173.71","0.19","293","2","293","2","","","","","","","","5","I 4","I 4","79","","Trans-dichloro-tetrakis(N^1^-4-methyl-1,3-pyrimidine- ruthenium(II)","","- C20 H24 Cl2 N8 Ru -","- C20 H24 Cl2 N8 Ru -","- C40 H48 Cl4 N16 Ru2 -","2","0.25","NA1526","Bellucci, Cinzia; Cini, Renzo","trans-Dichlorotetrakis(4-methylpyrimidine-N^1^)ruthenium(II)","Acta Crystallographica Section C","2001","57","9","1039","1040","10.1107/S0108270101009647","","","0.71073","MoKα","","0.0357","0.0292","","","","0.0593","","","","","","1.047","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00","" "2012218","12.441","0.002","17.667","0.004","7.137","0.001","90","","114.99","0.03","90","","1421.8","0.6","293","2","293","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","melaminium chloride hemihydrate","2,4,6-triamino-1,3,5-triazine-1-ium chloride hemihydrate","","- C3 H8 Cl N6 O0.5 -","- C3 H8 Cl N6 O0.5 -","- C24 H64 Cl8 N48 O4 -","8","1","NA1530","Jan Janczak; Genivaldo Julio Perpétuo","Melaminium chloride hemihydrate","Acta Crystallographica Section C","2001","57","9","1120","1122","10.1107/S0108270101011283","","","0.71073","MoKα","","0.0579","0.0289","","","","0.054","","","","","","1.004","","","","has coordinates,has Fobs","197922","2020-10-21","18:00:00","" "2012219","12.522","0.002","10.7827","0.0012","4.8838","0.0006","90","","93.23","0.004","90","","658.37","0.15","297","","297","","","","","","","","","4","P 1 21 1","P 2yb","4","","Benzimidazolium 3-nitrobenzoate","","- C14 H11 N3 O4 -","- C14 H11 N3 O4 -","- C28 H22 N6 O8 -","2","1","OB1039","Hashizume, Daisuke; Iegaki, Masataka; Yasui, Masanori; Iwasaki, Fujiko; Meng, Jiben; Wen, Zhong; Matsuura, Teruo","Two-component molecular crystals from N-heteroaromatics and nitrobenzoic acids","Acta Crystallographica Section C","2001","57","9","1067","1072","10.1107/S0108270101009118","","","0.71073","MoKα","","0.073","0.048","","","","0.113","","","","","","1.101","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00","" "2012220","13.8524","0.0005","7.6666","0.0004","12.5193","0.0007","90","","94.14","0.0017","90","","1326.09","0.11","297","","297","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Benzimidazolium 4-nitrobenzoate","","- C14 H11 N3 O4 -","- C14 H11 N3 O4 -","- C56 H44 N12 O16 -","4","1","OB1039","Hashizume, Daisuke; Iegaki, Masataka; Yasui, Masanori; Iwasaki, Fujiko; Meng, Jiben; Wen, Zhong; Matsuura, Teruo","Two-component molecular crystals from N-heteroaromatics and nitrobenzoic acids","Acta Crystallographica Section C","2001","57","9","1067","1072","10.1107/S0108270101009118","","","0.71073","MoKα","","0.075","0.053","","","","0.153","","","","","","1.073","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00","" "2012221","14.342","0.003","5.218","0.001","18.161","0.004","90","","105.4","0.01","90","","1310.3","0.5","297","","297","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Benzotriazole 3-nitrobenzoic acid clathrate","","- C13 H10 N4 O4 -","- C13 H10 N4 O4 -","- C52 H40 N16 O16 -","4","1","OB1039","Hashizume, Daisuke; Iegaki, Masataka; Yasui, Masanori; Iwasaki, Fujiko; Meng, Jiben; Wen, Zhong; Matsuura, Teruo","Two-component molecular crystals from N-heteroaromatics and nitrobenzoic acids","Acta Crystallographica Section C","2001","57","9","1067","1072","10.1107/S0108270101009118","","","0.71073","MoKα","","0.123","0.072","","","","0.184","","","","","","1.084","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00","" "2012222","5.826","0.002","23.411","0.007","7.556","0.002","90","","90.53","0.03","90","","1030.5","0.5","297","","297","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Imidazolium 3-nitrobenzoate","","- C10 H9 N3 O4 -","- C10 H9 N3 O4 -","- C40 H36 N12 O16 -","4","1","OB1039","Hashizume, Daisuke; Iegaki, Masataka; Yasui, Masanori; Iwasaki, Fujiko; Meng, Jiben; Wen, Zhong; Matsuura, Teruo","Two-component molecular crystals from N-heteroaromatics and nitrobenzoic acids","Acta Crystallographica Section C","2001","57","9","1067","1072","10.1107/S0108270101009118","","","0.71073","MoKα","","0.147","0.044","","","","0.131","","","","","","0.978","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00","" "2012223","7.5395","0.0007","11.8374","0.0015","5.9689","0.0012","100.145","0.014","90.731","0.013","102.998","0.009","510.19","0.13","297","","297","","","","","","","","","4","P -1","-P 1","2","","Imidazolium 4-nitrobenzoate","","- C10 H9 N3 O4 -","- C10 H9 N3 O4 -","- C20 H18 N6 O8 -","2","1","OB1039","Hashizume, Daisuke; Iegaki, Masataka; Yasui, Masanori; Iwasaki, Fujiko; Meng, Jiben; Wen, Zhong; Matsuura, Teruo","Two-component molecular crystals from N-heteroaromatics and nitrobenzoic acids","Acta Crystallographica Section C","2001","57","9","1067","1072","10.1107/S0108270101009118","","","0.71073","MoKα","","0.106","0.047","","","","0.14","","","","","","0.999","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00","" "2012224","5.639","0.003","15.073","0.008","21.113","0.007","90","","90","","90","","1794.5","1.5","293","","293","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C20 H25 N O2 -","- C20 H25 N O2 -","- C80 H100 N4 O8 -","4","1","SK1479","Drouard, David; Py, Sandrine; Averbuch, Marie-Thérèse; Philouze, Christian; Vallée, Yannick","(1S)-(Z)-2-Benzyloxy-N-(3-methyl-1-butylidene)-1-phenylethylamine N-oxide","Acta Crystallographica Section C","2001","57","9","1079","1080","10.1107/S0108270101009477","","","0.71073","MoKα","","0.0556","0.0556","","0.0397","","0.0397","","","1.995","","","1.995","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00","" "2012225","11.583","0.001","12.842","0.002","20.728","0.003","96.7","0.01","98.76","0.01","113.2","0.01","2747.4","0.7","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","(μ-dicyclohexylphosphine)-heptacarbonyl-eq-triphenylphosphine- triphenylphosphine-silver-manganese-rhenium","","- C55 H52 Ag Mn O7 P3 Re -","- C55 H52 Ag Mn O7 P3 Re -","- C110 H104 Ag2 Mn2 O14 P6 Re2 -","2","1","SK1486","Flörke, Ulrich; Petters, Dina","The first example of a silver‒manganese‒rhenium cluster complex: heptacarbonyl-1κ^3^C,2κ^4^C-μ-dicyclohexylphosphido-1:2κ^2^P-bis(triphenylphosphine)-1κP,3κP-triangulo-manganeserheniumsilver with disordered solvent","Acta Crystallographica Section C","2001","57","9","1044","1045","10.1107/S0108270101009696","","","0.71073","MoKα","","0.0671","0.0383","","","","0.0866","","","","","","0.893","","","","has coordinates","176760","2020-10-21","18:00:00","" "2012226","13.4836","0.0003","13.1345","0.0003","14.6532","0.0003","90","","102.057","0.0013","90","","2537.84","0.1","120","2","","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C28 H28 Cl N O4 S -","- C28 H28 Cl N O4 S -","- C112 H112 Cl4 N4 O16 S4 -","4","1","SK1487","Vega, Daniel; Fernández, Daniel; Ellena, Javier A.","1-(2-{4-[6-Hydroxy-2-(4-hydroxyphenyl)benzo[b]thiol-3-ylcarbonyl]phenoxy}ethyl)piperidinium chloride","Acta Crystallographica Section C","2001","57","9","1092","1094","10.1107/S0108270101009763","","","0.71073","MoKα","","","0.0438","","","","0.1422","","","","","","1.089","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00","" "2012227","8.8407","0.0001","10.5562","0.0001","28.2974","0.0004","90","","90","","90","","2640.83","0.05","160","1","160","1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","3-O-acetyl-4-deoxy-4-iodo-β-D-fructofuranosyl 2,3,6-tri-O-acetyl-4-chloro-4-deoxy-α-D-glucopyranoside","","- C20 H28 Cl I O13 -","- C20 H28 Cl I O13 -","- C80 H112 Cl4 I4 O52 -","4","1","SK1489","Linden, Anthony; Lee, C. Kuan; Muhammad Sofian, A. S.","3-O-Acetyl-4-deoxy-4-iodo-β-D-fructofuranosyl 2,3,6-tri-O-acetyl-4-chloro-4-deoxy-α-D-glucopyranoside","Acta Crystallographica Section C","2001","57","9","1098","1100","10.1107/S0108270101009994","","","0.71073","MoKα","","0.0443","0.0347","","","","0.076","","","","","","1.027","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00","" "2012228","9.2081","0.0004","9.4835","0.0004","11.1287","0.0006","100.574","0.001","101.751","0.001","111.882","0.001","846.14","0.07","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","Methyl (SR)-10-chloro-1,2,3,4,5,6-hexahydro-6-hydroxy-8-methoxy-1-methyl- 1,9-phenanthroline-6-carboxylate","","- C16 H19 Cl N2 O4 -","- C16 H19 Cl N2 O4 -","- C32 H38 Cl2 N4 O8 -","2","1","SK1492","Usman, Anwar; Razak, Ibrahim Abdul; Chantrapromma, Suchada; Fun, Hoong-Kun; Sarkar, Tarun K.; Basak, Sankar; Nigam, Gur Dayal","Methyl (SR)-10-chloro-1,2,3,4,5,6-hexahydro-6-hydroxy-8-methoxy-1-methyl-1,9-phenanthroline-6-carboxylate","Acta Crystallographica Section C","2001","57","9","1116","1117","10.1107/S0108270101010770","","","0.71073","MoKα","","0.111","0.076","","","","0.209","","","","","","0.939","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00","" "2012229","6.2303","0.0001","20.561","0.0003","10.7476","0.0002","90","","96.665","0.001","90","","1367.48","0.04","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","1,4-Methano-11a-methyl-2,3,4,4a,11,11a-hexahydro-1H-benzo[b]fluoren-11-one","","- C19 H16 O -","- C19 H16 O -","- C76 H64 O4 -","4","2","SK1493","Anwar Usman; Ibrahim Abdul Razak; Suchada Chantrapromma; Sujit K. Ghorai; Dipakranjan Mal; Hoong-Kun Fun; Gur Dayal Nigam","1,4-Methano-11a-methyl-4,4a,11,11a-tetrahydro-1H-benzo[b]fluoren-11-one","Acta Crystallographica Section C","2001","57","9","1118","1119","10.1107/S0108270101010976","","","0.71073","MoKα","","0.0659","0.0516","","","","0.131","","","","","","0.987","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00","" "2012230","7.2343","0.0013","26.691","0.004","12.745","0.002","90","","104.51","0.016","90","","2382.4","0.7","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C21 H13 N6 Ni O2 S4 -","- C21 H13 N6 Ni O2 S4 -","- C84 H52 N24 Ni4 O8 S16 -","4","1","TA1318","Ren, Xiao-Ming; Li, Hai-Fang; Wu, Pei-Heng; Meng, Qing-Jin","2-Methyl-1-(4-nitrobenzyl)pyridinium bis(maleonitriledithiolato)nickelate(III)","Acta Crystallographica Section C","2001","57","9","1022","1024","10.1107/S0108270101009064","","","0.71073","MoKα","","0.0917","0.0479","","","","0.1241","","","","","","1.044","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00","" "2012231","14.722","0.001","10.225","0.001","22.319","0.002","90","","100.35","0.01","90","","3305.1","0.5","298","","298","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","Porphycene","Chloro[(3,6,13,16-tetraethyl-2,7,12,17-tetramethylporphycenato)iron(III)] chloroform solvate","","- C33 H37 Cl4 Fe N4 -","- C33 H37 Cl4 Fe N4 -","- C132 H148 Cl16 Fe4 N16 -","4","1","TA1328","Ohgo, Yoshiki; Neya, Saburo; Ikeue, Takahisa; Funasaki, Noriaki; Nakamura, Mikio","Chloro(3,6,13,16-tetraethyl-2,7,12,17-tetramethylporphycenato-κ^4^N)iron(III) chloroform solvate","Acta Crystallographica Section C","2001","57","9","1046","1047","10.1107/S0108270101009842","","","0.71069","MoKα","","0.1039","0.07","","","","0.2053","","","","","","1.084","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00","" "2012232","6.5376","0.0003","11.8766","0.001","13.5312","0.0015","90","","91.197","0.012","90","","1050.39","0.15","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","17-Oxo-16-(2-pyridylmethylene)-androst-5-en-3β-ol monohydrate","","- C25 H33 N O3 -","- C25 H33 N O3 -","- C50 H66 N2 O6 -","2","1","VJ1136","Vasuki, G.; Parthasarathi, V.; Ramamurthi, K.; Jindal, D. P.; Dubey, S.","17-Oxo-16-(2-pyridylmethylene)androst-5-en-3β-ol monohydrate","Acta Crystallographica Section C","2001","57","9","1062","1063","10.1107/S010827010100912X","","","1.5418","CuKα","","0.0422","0.0389","","","","0.1165","","","","","","1.143","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00","" "2012233","7.734","0.005","8.432","0.003","9.782","0.004","95.88","0.04","112.78","0.04","92.09","0.04","583","0.5","293","2","293","2","","","","","","","","5","P -1","-P 1","2","Copper(II) acetate 4-cyanopyridine adduct","tetrakis(μ-acetato-O,O')bis(4-cyanopyridine-N)dicopper(II)","","- C20 H20 Cu2 N4 O8 -","- C20 H20 Cu2 N4 O8 -","- C20 H20 Cu2 N4 O8 -","1","0.5","VJ1144","Das, Birinchi K.; Barman, Rama K.","Tetrakis(μ-acetato-O,O')bis[(4-cyanopyridine-N)copper(II)]","Acta Crystallographica Section C","2001","57","9","1025","1026","10.1107/S0108270101009052","","","0.7107","MoKα","","0.031","0.026","","","","0.072","","","","","","1.106","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00","" "2012234","13.0982","0.0003","12.8311","0.0003","17.8255","0.0003","90","","91.6958","0.0012","90","","2994.52","0.11","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Pyridinium tetrakis(nitrato-κ^2^O,O')(2,2':6',2''-terpyridine-κ^3^N)cerate(III) pyridine solvate","","- C25 H22 Ce N9 O12 -","- C25 H22 Ce N9 O12 -","- C100 H88 Ce4 N36 O48 -","4","1","AV1079","Grigoriev, Mikhail S.; Den Auwer, Christophe; Madic, Charles","Pyridinium tetrakis(nitrato-κ^2^O,O')(2,2':6',2''-terpyridine-κ^3^N)cerate(III) pyridine solvate and bis(methanol-κO)tris(nitrato-κ^2^O,O')(2,2':6',2''-terpyridine-κ^3^N)cerium(III)","Acta Crystallographica Section C","2001","57","10","1141","1143","10.1107/S0108270101010678","","","0.71073","MoKα","","0.066","0.042","","","","0.082","","","","","","1.053","","","","has coordinates","176760","2020-10-21","18:00:00","" "2012235","7.746","0.0002","12.228","0.0003","12.3405","0.0003","91.253","0.002","103.238","0.002","96.51","0.002","1129.09","0.05","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","bis(methanol-κO)tris(nitrato-κ^2^O,O')(2,2':6',2''-terpyridine-κ^3^N) cerium(III)","","- C17 H19 Ce N6 O11 -","- C17 H19 Ce N6 O11 -","- C34 H38 Ce2 N12 O22 -","2","1","AV1079","Grigoriev, Mikhail S.; Den Auwer, Christophe; Madic, Charles","Pyridinium tetrakis(nitrato-κ^2^O,O')(2,2':6',2''-terpyridine-κ^3^N)cerate(III) pyridine solvate and bis(methanol-κO)tris(nitrato-κ^2^O,O')(2,2':6',2''-terpyridine-κ^3^N)cerium(III)","Acta Crystallographica Section C","2001","57","10","1141","1143","10.1107/S0108270101010678","","","0.71073","MoKα","","0.035","0.033","","","","0.087","","","","","","1.023","","","","has coordinates","176760","2020-10-21","18:00:00","" "2012236","7.116","0.002","9.452","0.002","13.895","0.003","86.43","0.02","84.17","0.02","68.42","0.02","864.3","0.4","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","1-(2-hydroxy-5-nitrophenyl)-1H-tetrazole","","- C7 H5 N5 O3 -","- C7 H5 N5 O3 -","- C28 H20 N20 O12 -","4","2","AV1080","Lyakhov, Alexander S.; Gaponik, Pavel N.; Voitekhovich, Sergei V.; Ivashkevich, Ludmila S.; Kulak, Alexander A.","4-Nitro-2-(1H-tetrazol-1-yl)phenol","Acta Crystallographica Section C","2001","57","10","1204","1206","10.1107/S0108270101012100","","","0.71069","MoKα","","0.0599","0.0451","","","","0.1433","","","","","","1.041","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00","" "2012237","4.3449","0.0002","6.2955","0.0003","8.5432","0.0005","105.24","0.005","92.743","0.004","96.356","0.004","223.36","0.02","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","1-Amino-2-nitraminoethane","","- C2 H7 N3 O2 -","- C2 H7 N3 O2 -","- C4 H14 N6 O4 -","2","1","AV1081","Vasiliev, Alexander D.; Astachov, Alexander M.; Kekin, Yuri V.; Kruglyakova, Ludmila A.; Stepanov, Rudolf S.","1-Amino-2-nitraminoethane","Acta Crystallographica Section C","2001","57","10","1192","1193","10.1107/S0108270101011404","","","1.5418","CuKα","","0.032","0.029","","","","0.082","","","","","","1.024","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00","" "2012238","8.502","0.008","10.939","0.014","11.814","0.007","66.39","0.09","81.63","0.07","81.74","0.1","991.6","1.8","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H64 N12 O6 P4 -","- C30 H64 N12 O6 P4 -","- C30 H64 N12 O6 P4 -","1","0.5","AV1085","Öztürk, Levent; Hökelek, Tuncer; Işıklan, Muhammed; Kılıç, Zeynel","trans-2,4,4,6,8,8-Hexamorpholino-2,6-bis(n-propylamino)cyclo-2λ^5^,4λ^5^,6λ^5^,8λ^5^-tetraphosphazatetraene","Acta Crystallographica Section C","2001","57","10","1228","1230","10.1107/S010827010101441X","","","0.71073","MoKα","","0.1245","0.069","","","","0.1828","","","","","","0.885","","","","has coordinates","176760","2020-10-21","18:00:00","" "2012239","6.463","0.0003","8.308","0.0005","16.353","0.0009","77.095","0.003","86.747","0.003","67.554","0.003","790.65","0.08","150","","150","","","","","","","","","4","P -1","-P 1","2","","2-[1-(Hydroxyimino)ethyl]-2,5,5-trimethylperhydropyrimidine-butane-2,3-dione monoxime (1/1)","","- C13 H26 N4 O3 -","- C13 H26 N4 O3 -","- C26 H52 N8 O6 -","2","1","BJ1033","Elerman, Yalc̨ın; Kara, Hülya; Prout, Keith; Johnston, Andrew","2-[1-(Hydroxyimino)ethyl]-2,5,5-trimethylperhydropyrimidine‒butane-2,3-dione monooxime (1/1)","Acta Crystallographica Section C","2001","57","10","1222","1224","10.1107/S0108270101012926","","","0.71069","MoKα","","","0.045","","","","0.048","","","","","","0.942","","","","has coordinates","201957","2020-10-21","18:00:00","" "2012240","5.4565","0.0005","7.3922","0.0007","13.4798","0.0012","99.197","0.002","90.039","0.002","101.465","0.002","525.72","0.08","293","2","293","2","","","","","","","","5","P -1","-P 1","2","(BPDS)(β-Alanine)2","Bis(β-alaninium) 4,4'-biphenyldisulfonate","","- C18 H24 N2 O10 S2 -","- C18 H24 N2 O10 S2 -","- C18 H24 N2 O10 S2 -","1","0.5","BK1608","Liao, Cheng-Zhu; Feng, Xiao-Long; Yao, Jun-Hua; Cai, Jiwen","Bis(β-alaninium) biphenyl-4,4'-disulfonate","Acta Crystallographica Section C","2001","57","10","1215","1216","10.1107/S0108270101012355","","","0.71073","MoKα","","0.039","0.035","","","","0.114","","","","","","1.085","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00","" "2012241","21.565","0.004","9.002","0.002","18.396","0.004","90","","105.93","0.03","90","","3434","1.3","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","tricarbonyl-tris(pyrazol-1-yl)methane rhenium(I) bromide","tricarbonyl-tris(pyrazol-1-yl)methane rhenium(I) bromide","","- C13 H10 Br N6 O3 Re -","- C13 H10 Br N6 O3 Re -","- C104 H80 Br8 N48 O24 Re8 -","8","1","BK1610","Gibson, Dorothy H.; Mashuta, Mark S.; He, Haiyang","Tricarbonyl[1,1',1''-ethylidynetris(pyrazole-κN^2^)]rhenium(I) bromide and tricarbonyl[methylidynetris(pyrazole-κN^2^)]rhenium(I) iodide ethanol hemisolvate","Acta Crystallographica Section C","2001","57","10","1135","1137","10.1107/S0108270101009349","","","0.71073","MoKα","","0.047","0.029","","","","0.071","","","","","","1.06","","","","has coordinates","176760","2020-10-21","18:00:00","" "2012242","12.361","0.003","11.803","0.002","15.543","0.003","90","","108.83","0.03","90","","2146.3","0.8","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","tricarbonyl-methyltris(pyrazol-1-yl)methane rhenium(I) iodide ethanol hemisolvate","tricarbonyl-methyltris(pyrazol-1-yl)methane rhenium(I) iodide ethanol solvate","","- C15 H15 I N6 O3.5 Re -","- C15 H12 I N6 O3.5 Re -","- C60 H48 I4 N24 O14 Re4 -","4","1","BK1610","Gibson, Dorothy H.; Mashuta, Mark S.; He, Haiyang","Tricarbonyl[1,1',1''-ethylidynetris(pyrazole-κN^2^)]rhenium(I) bromide and tricarbonyl[methylidynetris(pyrazole-κN^2^)]rhenium(I) iodide ethanol hemisolvate","Acta Crystallographica Section C","2001","57","10","1135","1137","10.1107/S0108270101009349","","","0.71073","MoKα","","0.056","0.045","","","","0.123","","","","","","1.121","","","","has coordinates","176435","2020-10-21","18:00:00","" "2012243","9.0151","0.0007","12.7805","0.0014","10.64","0.0012","90","","105.497","0.007","90","","1181.3","0.2","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1-[(2-phenylsulfanyl)phenyl]ethanone","","- C14 H12 O S -","- C14 H12 O S -","- C56 H48 O4 S4 -","4","1","BM1449","Creed, Tim; Leardini, Rino; McNab, Hamish; Nanni, Daniele; Nicolson, Iain S.; Parkin, Andrew; Parsons, Simon","Short intramolecular S···O interactions in S-substituted 2-mercaptoacetophenones","Acta Crystallographica Section C","2001","57","10","1174","1176","10.1107/S0108270101008216","","","1.54178","CuKα","","0.0452","0.0386","","","","0.1102","","","","","","1.072","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00","" "2012244","7.8838","0.0018","14.719","0.003","21.277","0.004","90","","90","","90","","2469","0.9","150","2","150","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","1-[(2-phenylmethylsulfanyl)phenyl]ethanone","","- C15 H14 O S -","- C15 H14 O S -","- C120 H112 O8 S8 -","8","1","BM1449","Creed, Tim; Leardini, Rino; McNab, Hamish; Nanni, Daniele; Nicolson, Iain S.; Parkin, Andrew; Parsons, Simon","Short intramolecular S···O interactions in S-substituted 2-mercaptoacetophenones","Acta Crystallographica Section C","2001","57","10","1174","1176","10.1107/S0108270101008216","","","1.54178","CuKα","","0.0415","0.0328","","","","0.0868","","","","","","1.015","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00","" "2012245","17.146","0.002","10.938","0.0016","18.965","0.009","90","","109.96","0.02","90","","3343.1","1.8","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2-benzoyl-1,3,5-O-methylidyneinositol 4,6-cyclophosphate, potassium- 18-crown-6 salt","","- C26 H42 K O18 P -","- C26 H36 K O18 P -","- C104 H144 K4 O72 P4 -","4","1","BM1456","Kumara Swamy, K. C.; Kumaraswamy, Sudha","A potassium‒18-crown-6 salt of a cyclic myo-inositol phosphate","Acta Crystallographica Section C","2001","57","10","1147","1148","10.1107/S0108270101011222","","","0.71073","MoKα","","0.1242","0.0588","","","","0.1981","","","","","","1.04","","","","has coordinates","176432","2020-10-21","18:00:00","" "2012246","8.352","0.005","8.352","0.005","8.352","0.005","90","","90","","90","","582.6","0.6","293","2","293","2","","","","","","","","3","P 21 3","P 2ac 2ab 3","198","","Tripotassium trioxoantimonate(III)","","- K3 O3 Sb -","- K3 O3 Sb -","- K12 O12 Sb4 -","4","0.333333","BR1326","Emmerling, Franziska; Röhr, Caroline","Alkaline metal oxoantimonates(III), A~3~[SbO~3~] (A = K or Cs)","Acta Crystallographica Section C","2001","57","10","1127","1128","10.1107/S0108270101006230","","","0.7107","MoKα","","0.045","0.026","","","","0.054","","","","","","1.043","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00","" "2012247","9.1369","0.001","9.1369","0.001","9.1369","0.001","90","","90","","90","","762.78","0.14","293","2","293","2","","","","","","","","3","P 21 3","P 2ac 2ab 3","198","","Tricaesium trioxoantimonate(III)","","- Cs3 O3 Sb -","- Cs3 O3 Sb -","- Cs12 O12 Sb4 -","4","0.333333","BR1326","Emmerling, Franziska; Röhr, Caroline","Alkaline metal oxoantimonates(III), A~3~[SbO~3~] (A = K or Cs)","Acta Crystallographica Section C","2001","57","10","1127","1128","10.1107/S0108270101006230","","","0.7107","MoKα","","0.023","0.014","","","","0.036","","","","","","1.07","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00","" "2012248","6.1677","0.0001","15.7416","0.0003","10.5141","0.0002","90","","90.763","0.001","90","","1020.72","0.03","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","Cinnamoyl shikonin","1-(5,8-dihydro-1,4-dihydroxy-5,8-dioxo-2-naphthyl)-4-methylpent-3-en-1-yl cinnamate","","- C25 H22 O6 -","- C25 H22 O6 -","- C50 H44 O12 -","2","1","DE1171","Sarkhel, Sanjay; Shefali; Mathad, Vijayvitthal T.; Raj, Kanwal; Bhaduri, Amiya P.; Maulik, Prakas R.; Broder, Charlotte K.; Howard, Judith A. K.","Cinnamoyl shikonin","Acta Crystallographica Section C","2001","57","10","1199","1200","10.1107/S0108270101011842","","","0.71073","MoKα","","0.05","0.041","","","","0.096","","","","","","1.093","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00","" "2012249","14.329","0.003","5.2662","0.0011","9.1129","0.0018","90","","119.1","0.03","90","","600.9","0.3","293","2","293","2","","","","","","","","5","C 1 c 1","C -2yc","9","","Glycine sodium nitrate","","- C2 H5 N2 Na O5 -","- C2 H5 N2 Na O5 -","- C8 H20 N8 Na4 O20 -","4","1","FG1628","Krishnakumar, R. V.; Nandhini, M. Subha; Natarajan, S.; Sivakumar, K.; Varghese, Babu","Glycine sodium nitrate","Acta Crystallographica Section C","2001","57","10","1149","1150","10.1107/S0108270101011520","","","0.71073","MoKα","","0.029","0.029","","","","0.078","","","","","","1.071","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00","" "2012250","9.257","0.006","10.483","0.002","10.6838","0.0017","103.807","0.012","92.84","0.03","103.09","0.05","974.7","0.7","298","2","298","2","","","","","","","","7","P -1","-P 1","2","fac-Re(CO)3~dpk.oxime)Cl.dmso","fac-tricarbonylchloro(di-2-pyridyl ketone oxime)rhenium(I) dimethyl sulfoxide solvate","","- C16 H15 Cl N3 O5 Re S -","- C16 H15 Cl N3 O5 Re S -","- C32 H30 Cl2 N6 O10 Re2 S2 -","2","1","FG1636","Bakir, Mohammed","The first pyridyl N,N'-coordinated di-2-pyridyl ketone oxime, fac-tricarbonylchloro(di-2-pyridyl ketone oxime)rhenium(I) dimethyl sulfoxide solvate","Acta Crystallographica Section C","2001","57","10","1154","1156","10.1107/S0108270101009593","","","0.71073","MoKα","","0.036","0.033","","","","0.096","","","","","","1.029","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00","" "2012251","11.8728","0.0017","12.5961","0.0017","13.903","0.002","91.553","0.002","105.95","0.002","115.017","0.002","1786.9","0.4","293","2","293","2","","","","","","","","7","P -1","-P 1","2","[Cu(en)2(H2O)2][Ni(en)3]2(2,6nds)3.4H2O","Diaquabis(ethylenediamine)copper(II) bis[tris(ethylenediamine)nickel(II)] tris(naphthalene-2,6-disulfonate) tetrahydrate","","- C46 H94 Cu N16 Ni2 O24 S6 -","- C46 H94 Cu N16 Ni2 O24 S6 -","- C46 H94 Cu N16 Ni2 O24 S6 -","1","0.5","FR1340","Cai, Jiwen; Feng, Xiao-Long; Hu, Xiao-Peng","Diaquabis(ethylenediamine)copper(II) bis[tris(ethylenediamine)nickel(II)] tris(naphthalene-2,6-disulfonate) tetrahydrate","Acta Crystallographica Section C","2001","57","10","1168","1170","10.1107/S0108270101013324","","","0.71073","MoKα","","0.0437","0.0369","","","","0.1114","","","","","","1.07","","","","has coordinates","176760","2020-10-21","18:00:00","" "2012252","21.604","0.004","7.268","0.001","12.436","0.002","90","","90","","90","","1952.7","0.5","11","2","11","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","bis(N-phenylacetamidino)ReCl~4~","Tetrachlorobis(N^1^-phenylacetamidino-N^2^)rhenium(IV)","","- C16 H20 Cl4 N4 Re -","- C16 H20 Cl4 N4 Re -","- C64 H80 Cl16 N16 Re4 -","4","0.5","GD1153","Figgis, Brian N.; Sobolev, Alexandre N.; Schultz, Arthur J.; Reynolds, Philip A.","Tetrachlorobis(N^1^-phenylacetamidino-κN^2^)rhenium(IV) at 11K by X-ray diffraction and at 20K by neutron diffraction","Acta Crystallographica Section C","2001","57","10","1151","1153","10.1107/S0108270101011659","","","0.71073","MoKα","","0.029","0.022","","","","0.051","","","","","","1.103","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00","" "2012253","21.604","0.004","7.268","0.001","12.436","0.002","90","","90","","90","","1952.7","0.5","11","2","20","","","","","","","","","5","P c c n","-P 2ab 2ac","56","bis(N-phenylacetamidino)ReCl~4~","Tetrachlorobis(N^1^-phenylacetamidino-N^2^)rhenium(IV)","","- C16 H20 Cl4 N4 Re -","- C16 H20 Cl4 N4 Re -","- C64 H80 Cl16 N16 Re4 -","4","0.5","GD1153","Figgis, Brian N.; Sobolev, Alexandre N.; Schultz, Arthur J.; Reynolds, Philip A.","Tetrachlorobis(N^1^-phenylacetamidino-κN^2^)rhenium(IV) at 11K by X-ray diffraction and at 20K by neutron diffraction","Acta Crystallographica Section C","2001","57","10","1151","1153","10.1107/S0108270101011659","","neutron","","pulsedneutron","","0.115","0.072","","","0.059","","","","1.58","","","1.439","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00","" "2012254","10.477","0.001","13.523","0.002","10.058","0.001","90","","110.07","0.01","90","","1338.5","0.3","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","3-Carboxy-5-(2-pyridinio)-6-(2-pyridyl)pyrazine-2-carboxylate","","- C16 H10 N4 O4 -","- C16 H10 N4 O4 -","- C64 H40 N16 O16 -","4","1","GD1159","Alfonso, Montserrat; Wang, Yi; Stoeckli-Evans, Helen","Hydrogen bonding in the inner-salt zwitterion and in two different charged forms of 5,6-bis(2-pyridyl)pyrazine-2,3-dicarboxylic acid","Acta Crystallographica Section C","2001","57","10","1184","1188","10.1107/S0108270101010757","","","0.71073","MoKα","","0.12","0.049","","","","0.092","","","","","","0.9","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00","" "2012255","19.5883","0.0017","8.0623","0.0005","22.936","0.002","90","","90.559","0.011","90","","3622","0.5","293","2","293","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","6-Carboxy-5-carboxylatopyrazine-2,3-diyldi-2-pyridinium chloride 2.25 hydrate","","- C16 H15.5 Cl N4 O6.25 -","- C16 H15.5 Cl N4 O6.25 -","- C128 H124 Cl8 N32 O50 -","8","1","GD1159","Alfonso, Montserrat; Wang, Yi; Stoeckli-Evans, Helen","Hydrogen bonding in the inner-salt zwitterion and in two different charged forms of 5,6-bis(2-pyridyl)pyrazine-2,3-dicarboxylic acid","Acta Crystallographica Section C","2001","57","10","1184","1188","10.1107/S0108270101010757","","","0.71073","MoKα","","0.081","0.039","","","","0.093","","","","","","0.823","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00","" "2012256","6.1401","0.0007","15.6358","0.0012","10.7154","0.0008","90","","106.934","0.008","90","","984.13","0.16","223","2","223","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","6-carboxy-5-carboxylatopyrazine-2,3-diyldi-2-pyridinium perchlorate trihydrate","","- C16 H17 Cl N4 O11 -","- C16 H17 Cl N4 O11 -","- C32 H34 Cl2 N8 O22 -","2","0.5","GD1159","Alfonso, Montserrat; Wang, Yi; Stoeckli-Evans, Helen","Hydrogen bonding in the inner-salt zwitterion and in two different charged forms of 5,6-bis(2-pyridyl)pyrazine-2,3-dicarboxylic acid","Acta Crystallographica Section C","2001","57","10","1184","1188","10.1107/S0108270101010757","","","0.71073","MoKα","","0.057","0.04","","","","0.115","","","","","","1.017","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00","" "2012257","6.191","0.0006","15.6564","0.0011","10.8349","0.001","90","","106.4","0.011","90","","1007.48","0.16","293","2","293","2","","","","","","","","6","P 1 2/c 1","-P 2yc","13","","6-carboxy-5-carboxylatopyrazine-2,3-diyldi-2-pyridinium hexafluorophosphate trihydrate","","- C16 H17 F6 N4 O7 P -","- C16 H17 F6 N4 O7 P -","- C32 H34 F12 N8 O14 P2 -","2","0.5","GD1159","Alfonso, Montserrat; Wang, Yi; Stoeckli-Evans, Helen","Hydrogen bonding in the inner-salt zwitterion and in two different charged forms of 5,6-bis(2-pyridyl)pyrazine-2,3-dicarboxylic acid","Acta Crystallographica Section C","2001","57","10","1184","1188","10.1107/S0108270101010757","","","0.71073","MoKα","","0.05","0.044","","","","0.152","","","","","","1.197","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00","" "2012258","8.8856","0.0008","9.0728","0.0009","12.9288","0.0011","109.164","0.005","92.476","0.005","111.074","0.005","903.17","0.15","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","4,4'-bipyridine‒tetrahydroxybenzoquinone (3/2)","","- C42 H32 N6 O12 -","- C42 H32 N6 O12 -","- C42 H32 N6 O12 -","1","0.5","GD1161","Cowan, John A.; Howard, Judith A. K.; Leech, Michael A.","Interpenetrating supramolecular lattices in 4,4'-bipyridine‒2,3,5,6-tetrahydroxy-1,4-benzoquinone (3/2)","Acta Crystallographica Section C","2001","57","10","1196","1198","10.1107/S0108270101011647","","","0.71073","MoKα","","0.0715","0.0377","","","","0.0666","","","","","","1.072","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00","" "2012259","4.0545","0.0007","7.5723","0.0012","9.0629","0.0014","81.096","0.004","86.19","0.004","85.197","0.004","273.53","0.08","150","2","150","2","","","","","","","","6","P -1","-P 1","2","Cu(PT)~2~","Bis(1-hydroxy-2(1H)-pyridinethiolato-S^2^,O)copper(II)","","- C10 H8 Cu N2 O2 S2 -","- C10 H8 Cu N2 O2 S2 -","- C10 H8 Cu N2 O2 S2 -","1","0.5","GD1171","Bond, Andrew D.; Feeder, Neil; Teat, Simon J.; Jones, William","Bis[1-hydroxypyridine-2(1H)-thionato-S,O]copper(II)","Acta Crystallographica Section C","2001","57","10","1157","1158","10.1107/S0108270101012306","","","0.6884","synchrotron","","0.084","0.061","","","","0.161","","","","","","1.011","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00","" "2012260","7.271","0.003","9.733","0.005","35.98","0.02","90","","93.28","0.04","90","","2542","2","150","","293","","","","","","","","","3","P 1 21 1","P 2yb","4","","4,4-dimethyl-23-phenyl-24-nor-5α-cholane-8,14-dien-3β-ol","","- C31 H44 O -","- C31 H44 O -","- C124 H176 O4 -","4","2","GG1052","Boer, D. Roeland; Kooijman, Huub; Groen, Marinus; van der Louw, Jaap; Kelder, Jan; Kroon, Jan","Conformational comparison of five follicular fluid meiosis-activating sterol-related active and inactive compounds","Acta Crystallographica Section C","2001","57","10","1177","1181","10.1107/S0108270101010010","","","0.71073","MoKα","","0.0496","0.0443","","","","0.1156","","","","","","1.097","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00","" "2012261","23.785","0.009","13.61","0.003","19.08","0.007","90","","121.927","0.012","90","","5242","3","150","","150","","","","","","","","","3","C 1 2 1","C 2y","5","ORG39097","4,4-dimethyl-22-phenyl-23,24-dinor-5α-cholane-8,14-dien-3β-ol","","- C30 H42 O -","- C30 H42 O -","- C240 H336 O8 -","8","2","GG1052","Boer, D. Roeland; Kooijman, Huub; Groen, Marinus; van der Louw, Jaap; Kelder, Jan; Kroon, Jan","Conformational comparison of five follicular fluid meiosis-activating sterol-related active and inactive compounds","Acta Crystallographica Section C","2001","57","10","1177","1181","10.1107/S0108270101010010","","","0.71073","MoKα","","0.0479","0.0459","","","","0.1194","","","","","","1.093","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00","" "2012262","24.661","0.01","24.661","0.01","7.232","0.01","90","","90","","120","","3809","6","150","","150","","","","","","","","","3","P 62","P 62","171","","4,4-dimethyl-22-oxa-5α,20β-cholesta-8,14,24-trien-3β-ol","","- C28 H44 O2 -","- C28 H44 O2 -","- C168 H264 O12 -","6","1","GG1052","Boer, D. Roeland; Kooijman, Huub; Groen, Marinus; van der Louw, Jaap; Kelder, Jan; Kroon, Jan","Conformational comparison of five follicular fluid meiosis-activating sterol-related active and inactive compounds","Acta Crystallographica Section C","2001","57","10","1177","1181","10.1107/S0108270101010010","","","0.71073","MoKα","","0.0823","0.0753","","","","0.1399","","","","","","1.046","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00","" "2012263","64.902","0.004","7.2926","0.0014","11.1447","0.0011","90","","96.055","0.013","90","","5245.4","1.2","293","","293","","","","","","","","","3","C 1 2 1","C 2y","5","","4,4-dimethyl-23-phenyl-22-oxa-24-nor-5α-cholane-8,14-dien-3β-ol‒water (4/1)","","- C120 H170 O9 -","- C120 H170 O9 -","- C240 H340 O18 -","2","0.5","GG1052","Boer, D. Roeland; Kooijman, Huub; Groen, Marinus; van der Louw, Jaap; Kelder, Jan; Kroon, Jan","Conformational comparison of five follicular fluid meiosis-activating sterol-related active and inactive compounds","Acta Crystallographica Section C","2001","57","10","1177","1181","10.1107/S0108270101010010","","","0.71073","MoKα","","0.0701","0.0449","","","","0.1062","","","","","","1.034","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00","" "2012264","10.5743","0.0007","20.941","0.017","23.69","0.02","90","","90","","90","","5246","6","293","","293","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C29 H46 O -","- C29 H46 O -","- C232 H368 O8 -","8","2","GG1052","Boer, D. Roeland; Kooijman, Huub; Groen, Marinus; van der Louw, Jaap; Kelder, Jan; Kroon, Jan","Conformational comparison of five follicular fluid meiosis-activating sterol-related active and inactive compounds","Acta Crystallographica Section C","2001","57","10","1177","1181","10.1107/S0108270101010010","","","0.71073","MoKα","","0.0938","0.0511","","","","0.1118","","","","","","1.012","","","","has coordinates","176760","2020-10-21","18:00:00","" "2012265","7.2913","0.0005","7.9434","0.0005","9.9197","0.0007","76.584","0.004","80.959","0.004","86.321","0.004","551.68","0.07","100","2","100","2","","","","","","","","4","P -1","-P 1","2","bis-(2,2-bipyridyl) hexahydroxybenzene","Hexahydroxybenzene-2,2'-bipyridine (1/2)","","- C26 H22 N4 O6 -","- C26 H22 N4 O6 -","- C26 H22 N4 O6 -","1","0.5","GG1065","Cowan, John A.; Howard, Judith A. K.; Leech, Michael A.; Puschmann, Horst; Williams, Ian D.","Hexahydroxybenzene‒2,2'-bipyridine (1/2)","Acta Crystallographica Section C","2001","57","10","1194","1195","10.1107/S0108270101011350","","","0.71073","MoKα","","0.045","0.04","","","","0.112","","","","","","1.058","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00","" "2012266","8.207","0.002","10.312","0.002","17.236","0.002","90","","95.6","0.01","90","","1451.7","0.5","298","2","298","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","Ortho dimethoxybenzo-phenyldiazotropone","4,5-Dihydro-7,8-dimethoxy-1-phenyl-3H-2,3-benzodiazepin-4-one","","- C17 H16 N2 O3 -","- C17 H16 N2 O3 -","- C68 H64 N8 O12 -","4","1","GG1067","Bruno, Giuseppe; Nicoló, Francesco; Rotondo, Archimede; Gitto, Rosaria; Zappalá, Maria","4,5-Dihydro-7,8-dimethoxy-1-phenyl-3H-2,3-benzodiazepin-4-one","Acta Crystallographica Section C","2001","57","10","1225","1227","10.1107/S0108270101011805","","","0.71073","MoKα","","0.051","0.032","","","","0.08","","","","","","0.839","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00","" "2012267","8.5116","0.0017","6.569","0.0013","10.243","0.002","90","","109.36","0.03","90","","540.3","0.2","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","2-amino-5-methyl-1,3,4-thiadiazole","","- C3 H5 N3 S -","- C3 H5 N3 S -","- C12 H20 N12 S4 -","4","1","GG1069","Lynch, Daniel E.","2-Amino-5-methyl-1,3,4-thiadiazole and 2-amino-5-ethyl-1,3,4-thiadiazole","Acta Crystallographica Section C","2001","57","10","1201","1203","10.1107/S0108270101011817","","","0.71073","MoKα","","0.048","0.036","","","","0.105","","","","","","0.824","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00","" "2012268","7.2752","0.0003","10.7294","0.0004","15.4991","0.0007","90","","90","","90","","1209.84","0.09","150","2","150","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","2-amino-5-ethyl-1,3,4-thiadiazole","","- C4 H7 N3 S -","- C4 H7 N3 S -","- C32 H56 N24 S8 -","8","1","GG1069","Lynch, Daniel E.","2-Amino-5-methyl-1,3,4-thiadiazole and 2-amino-5-ethyl-1,3,4-thiadiazole","Acta Crystallographica Section C","2001","57","10","1201","1203","10.1107/S0108270101011817","","","0.71073","MoKα","","0.048","0.036","","","","0.092","","","","","","1.046","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00","" "2012269","15.293","0.002","12.5644","0.0013","18.225","0.002","90","","92.61","0.002","90","","3498.3","0.7","150","2","150","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","μ~2~-Peroxo-bis[trans-chloro(1,4,8,11-tetraazacyclotetradecane)cobalt(III)] bis(tetraphenylborate) diacetone solvate","","- C74 H100 B2 Cl2 Co2 N8 O4 -","- C74 H92 B2 Cl2 Co2 N8 O4 -","- C148 H184 B4 Cl4 Co4 N16 O8 -","2","0.5","GG1072","Lewis, Gareth R.; Wilson, Claire","μ-Peroxo-bis[trans-chloro(1,4,8,11-tetraazacyclotetradecane)cobalt(III)] bis(tetraphenylborate) diacetone solvate","Acta Crystallographica Section C","2001","57","10","1159","1161","10.1107/S0108270101012173","","","0.71073","MoKα","","0.0825","0.0474","","","","0.1336","","","","","","1.011","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00","" "2012270","8.2473","0.0007","7.5676","0.0007","23.7798","0.0016","90","","91.717","0.005","90","","1483.5","0.2","295","2","295","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","4-Methyl-3-nitroaniline","","- C7 H8 N2 O2 -","- C7 H8 N2 O2 -","- C56 H64 N16 O16 -","8","2","GG1075","Zakaria, Choudhury M.; Low, John N.; Skakle, Janet M. S.; McWilliam, Susan A.; Wardell, James L.; Glidewell, Christopher","Hydrogen bonding in C-methylated nitroanilines: a room-temperature monoclinic polymorph of 4-methyl-3-nitroaniline with Z' = 2","Acta Crystallographica Section C","2001","57","10","1207","1208","10.1107/S0108270101012185","","","0.71073","MoKα","","0.1336","0.0607","","","","0.204","","","","","","1.009","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00","" "2012271","3.7715","0.0002","15.6399","0.0008","13.3484","0.0009","90","","93.252","0.002","90","","786.1","0.08","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","2-Amino-6-nitrobenzothiazole","","- C7 H5 N3 O2 S -","- C7 H5 N3 O2 S -","- C28 H20 N12 O8 S4 -","4","1","GG1076","Glidewell, Christopher; Low, John N.; McWilliam, Susan A.; Skakle, Janet M. S.; Wardell, James L.","Hydrogen bonding in nitroaniline analogues: a three-dimensional framework in 2-amino-6-nitro-1,3-benzothiazole","Acta Crystallographica Section C","2001","57","10","1209","1211","10.1107/S0108270101012574","","","0.71073","MoKα","","0.0777","0.0451","","","","0.1081","","","","","","1.014","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00","" "2012272","13.5264","0.0007","4.2773","0.0002","16.3725","0.0008","90","","109.835","0.001","90","","891.06","0.08","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","4-Iodo-2-methyl-5-nitroaniline","","- C7 H7 I N2 O2 -","- C7 H7 I N2 O2 -","- C28 H28 I4 N8 O8 -","4","1","GG1080","Garden, Simon J.; Glidewell, Christopher; Low, John N.; McWilliam, Susan A.; Pinto, Angelo C.; Skakle, Janet M. S.; Torres, Jose C.; Wardell, James L.","4-Iodo-2-methyl-5-nitroaniline exhibits neither strong hydrogen bonding nor intermolecular I···nitro interactions","Acta Crystallographica Section C","2001","57","10","1212","1214","10.1107/S0108270101013373","","","0.71073","MoKα","","0.0351","0.0304","","","","0.0863","","","","","","1.058","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00","" "2012273","4.3897","0.0008","10.4102","0.001","25.829","0.003","90","","91.166","0.012","90","","1180.1","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","5-Nitro-3-thiomorpholino-1H-indazole","","- C11 H12 N4 O2 S -","- C11 H12 N4 O2 S -","- C44 H48 N16 O8 S4 -","4","1","JZ1467","Gzella, Andrzej; Wrzeciono, Urszula","Azole. 47. Über 3-Thiomorpholino- und 3-(4-Methylpiperazino)-5-nitroindazole","Acta Crystallographica Section C","2001","57","10","1189","1191","10.1107/S0108270101011027","","","1.54178","CuKα","","0.06","0.042","","","","0.128","","","","","","1.039","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00","" "2012274","7.3742","0.0011","12.1765","0.0013","16.6356","0.0016","78.65","0.009","84.958","0.01","74.596","0.011","1410.9","0.3","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","3-(4-methylpiperazino)-5-nitro-1H-indazole methanol hemisolvate water hemisolvate","","- C12.5 H18 N5 O3 -","- C12.5 H18 N5 O3 -","- C50 H72 N20 O12 -","4","2","JZ1467","Gzella, Andrzej; Wrzeciono, Urszula","Azole. 47. Über 3-Thiomorpholino- und 3-(4-Methylpiperazino)-5-nitroindazole","Acta Crystallographica Section C","2001","57","10","1189","1191","10.1107/S0108270101011027","","","1.54178","CuKα","","0.054","0.042","","","","0.124","","","","","","1.036","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00","" "2012275","8.378","0.006","11.099","0.01","23.042","0.012","90","0.06","99.44","0.05","90","0.07","2114","3","293","2","293","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","Bis(diethylenetriamine)nickel(II) 5-amino-1,3,4-thiadiazole-2- sulfonamidate chloride hydrate.","","- C10 H31 Cl N10 Ni O3 S2 -","- C10 H31 Cl N10 Ni O3 S2 -","- C40 H124 Cl4 N40 Ni4 O12 S8 -","4","1","NA1492","Liu-Gonzalez, M.; Sanz-Ruiz, F.; Chufán, Eduardo E.; Pedregosa, Jose C.; Borras-Tortonda, Joaquin","Bis(diethylenetriamine-κ^3^N)nickel(II) 5-amino-1,3,4-thiadiazole-2-sulfonamidate chloride monohydrate","Acta Crystallographica Section C","2001","57","10","1132","1134","10.1107/S0108270101009088","","","0.71073","MoKα","","0.0885","0.0594","","","","0.1486","","","","","","1.149","","","","has coordinates,has Fobs","176428","2020-10-21","18:00:00","" "2012276","18.9631","0.0007","9.6845","0.0003","10.0505","0.0004","90","","93.134","0.001","90","","1843","0.12","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H22 Cl2 N2 O3 -","- C18 H22 Cl2 N2 O3 -","- C72 H88 Cl8 N8 O12 -","4","1","NA1521","Carlo Castellari; Fabio Comelli; Stefano Ottani","Anti-inflammatory drugs. X. Hydrated pyrrolidinium {2-[(2,6-dichlorophenyl)amino]phenyl}acetate (HP·D·H~2~O)","Acta Crystallographica Section C","2001","57","10","1182","1183","10.1107/S0108270101010022","","","0.71073","MoKα","","0.0698","0.0409","","","","0.1052","","","","","","0.893","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00","" "2012277","7.911","0.003","8.798","0.003","8.819","0.002","102.92","0.03","92.43","0.02","112.05","0.02","549.1","0.3","293","3","293","3","","","","","","","","6","P -1","-P 1","2","","bis(S-methylisothiosemicarbazide-N^1^,N^4^)-bis(pyrazole-N^2^)- nickel(II) iodide","","- C10 H22 I2 N10 Ni S2 -","- C10 H22 I2 N10 Ni S2 -","- C10 H22 I2 N10 Ni S2 -","1","0.5","NA1529","Bogdanović, Goran A.; Leovac, Vukadin M.; Novaković, Sladjana B.; Češljević, Valerija I.; Spasojević-de Biré, Anne","Transition metal complexes with thiosemicarbazide-based ligands. XLII. Bis(S-methylisothiosemicarbazido-N^1^,N^4^)bis(pyrazole-N^2^)nickel(II) diiodide","Acta Crystallographica Section C","2001","57","10","1138","1140","10.1107/S010827010100991X","","","0.71073","MoKα","","0.0401","0.0345","","0.0919","","0.0953","","","","","","1.113","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00","" "2012278","18.044","0.003","7.486","0.003","19.052","0.005","90","","111.764","0.015","90","","2390.1","1.2","293","2","293","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","Amiloride hydrochloride hemimethanol solvate","N-(3,5-diamino-6-chloropyrazin-2-ylcarbonyl)-N-(diaminomethylene)ammonium chloride methanol hemisolvate","","- C6.5 H11 Cl2 N7 O1.5 -","- C6.5 H11 Cl2 N7 O1.5 -","- C52 H88 Cl16 N56 O12 -","8","2","OS1141","Pretscher, Andrea; Brisander, Magnus; Bauer-Brandl, Annette; Hansen, Lars Kr.","The methanol hemisolvate of amiloride hydrochloride","Acta Crystallographica Section C","2001","57","10","1217","1219","10.1107/S0108270101012550","","","0.71069","MoKα","","0.044","0.032","","","","0.093","","","","","","1.106","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00","" "2012279","16.793","0.001","13.685","0.002","21.244","0.001","90","","92.11","0.01","90","","4878.8","0.8","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","N,N'-(4-methyl-4-azaheptane-1,7-diyl-κN)bis(4-methoxysalicylideneiminato- κ^4^O,N,N',O')cobalt(II)] ethanol hemisolvate","","- C24 H32 Co N3 O4.5 -","- C24 H29 Co N3 O4.5 -","- C192 H232 Co8 N24 O36 -","8","1","OS1142","Cini, Renzo","[N,N'-(4-Methyl-4-azaheptane-1,7-diyl-κN)bis(4-methoxysalicylideniminato-κ^4^O,N,N',O')]cobalt(II) ethanol hemisolvate","Acta Crystallographica Section C","2001","57","10","1171","1173","10.1107/S0108270101012768","","","0.71073","MoKα","","0.09","0.049","","","","0.144","","","","","","1.029","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00","" "2012280","6.9892","0.0003","7.169","0.004","8.2106","0.0003","85.922","0.003","84.242","0.004","61.818","0.003","360.7","0.2","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","poly[diaquanickel(II)-μ-(pyrazine-2,3,5,6-tetracarboxylato)- tetraaquanickel(II)","","- C8 H12 N2 Ni2 O14 -","- C8 N2 Ni2 O14 -","- C8 N2 Ni2 O14 -","1","0.5","SK1451","Alfonso, Montserrat; Neels, Antonia; Stoeckli-Evans, Helen","X-ray powder structure of a new two-dimensional nickel(II) coordination polymer with pyrazine-2,3,5,6-tetracarboxylic acid","Acta Crystallographica Section C","2001","57","10","1144","1146","10.1107/S010827010101068X","","","1.5418","CuKα","","","","","","","","","","1.3","","","","","","","has coordinates","176760","2020-10-21","18:00:00","" "2012281","9.674","0.003","12.92","0.004","6.484","0.003","90","","97.71","0.03","90","","803.1","0.5","225","","225","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","Nitric acid dihydrate","","- H5 N O5 -","- H5 N O5 -","- H40 N8 O40 -","8","2","SK1488","Lebrun, Nathalie; Mahe, Fabrice; Lamiot, Jocelyne; Foulon, Michel; Petit, Jean Claude","A new crystalline phase of nitric acid dihydrate","Acta Crystallographica Section C","2001","57","10","1129","1131","10.1107/S0108270101010101","","","0.71069","MoKa","","0.038","0.031","","0.083","","0.083","","","1.133","","","1.117","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00","" "2012282","16.571","0.004","9.742","0.003","9.5","0.003","90","","101.507","0.005","90","","1502.8","0.8","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Bis(N-octylsalicylideneaminato-N,O)copper(II)","","- C30 H44 Cu N2 O2 -","- C30 H44 Cu N2 O2 -","- C60 H88 Cu2 N4 O4 -","2","0.5","TA1334","Zhang, Lei Z.; Bu, Ping-Yu; Wang, Li-Juan; Cheng, Peng","Bis(N-octylsalicylideniminato-N,O)copper(II)","Acta Crystallographica Section C","2001","57","10","1166","1167","10.1107/S0108270101013154","","","0.71073","MoKα","","0.108","0.048","","","","0.126","","","","","","1.034","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00","" "2012283","17.1524","0.0009","6.1439","0.0009","22.6183","0.0011","90","","107.791","0.012","90","","2269.6","0.4","293","2","293","2","","","","","","","","4","A 1 2 1","A 2y","5","","Methyl N-(carbobenzoxy)-α,β-didehydrovalyl-L-tryptophanate","","- C25 H27 N3 O5 -","- C25 H27 N3 O5 -","- C100 H108 N12 O20 -","4","1","VJ1138","Vijayaraghavan, Rangachari; Kumar, Pravindra; Dey, Sharmistha; Singh, Tej P.","Design of peptides with α,β-dehydro residues: a dipeptide with a branched β-carbon dehydro residue at the (i+1) position, methyl N-(benzyloxycarbonyl)-α,β-didehydrovalyl-L-tryptophanate","Acta Crystallographica Section C","2001","57","10","1220","1221","10.1107/S010827010100840X","","","1.5418","CuKα","","0.0484","0.046","","","","0.1455","","","","","","1.04","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00","" "2012284","8.854","0.002","19.752","0.012","10.662","0.007","90","","93.66","0.03","90","","1860.8","1.7","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Bis[(2-pyridylmethyl)ammonio]silver(I) trinitrate","","- C12 H18 Ag N7 O9 -","- C12 H18 Ag N7 O9 -","- C48 H72 Ag4 N28 O36 -","4","1","VJ1143","Sailaja, Sunkari; Swarnabala, G.; Rajasekharan, M. V.","Complexes of Ag^I^ with cationic ligands: bis[(pyridylmethyl)ammonio]silver(I) salts","Acta Crystallographica Section C","2001","57","10","1162","1165","10.1107/S0108270101012380","","","0.71073","MoKα","","0.047","0.034","","","","0.093","","","","","","1.105","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00","" "2012285","11.3358","0.0007","14.5436","0.001","14.6015","0.0017","77.7","0.008","89.519","0.006","74.421","0.006","2262.5","0.4","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","Bis{bis[(2-pyridylmethyl)ammonio]silver(I)} hexakis(perchlorate) dihydrate, [Ag(C~6~H~9~N~2~)~2~]~2~(ClO~4~)~6~.2H~2~O","","- C24 H40 Ag2 Cl6 N8 O26 -","- C24 H40 Ag2 Cl6 N8 O26 -","- C48 H80 Ag4 Cl12 N16 O52 -","2","1","VJ1143","Sailaja, Sunkari; Swarnabala, G.; Rajasekharan, M. V.","Complexes of Ag^I^ with cationic ligands: bis[(pyridylmethyl)ammonio]silver(I) salts","Acta Crystallographica Section C","2001","57","10","1162","1165","10.1107/S0108270101012380","","","0.71073","MoKα","","0.107","0.063","","","","0.181","","","","","","1.044","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00","" "2012286","5.057","0.0004","7.9646","0.0005","9.7226","0.0009","90","","100.702","0.007","90","","384.79","0.05","293","","293","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","benzdiamidine","Benzene-1,4-dicarboxamidine","","- C8 H10 N4 -","- C8 H10 N4 -","- C16 H20 N8 -","2","0.5","AV1083","Jokić, Milan; Bajić, Miroslav; Žinić, Mladen; Perić, Berislav; Kojić-Prodić, Biserka","Benzdiamidine","Acta Crystallographica Section C","2001","57","11","1354","1355","10.1107/S010827010101438X","","","1.54178","CuKα","","0.049","0.04","","","","0.118","","","","","","1.025","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00","" "2012287","8.167","0.002","8.666","0.001","13.004","0.002","104.01","0.01","103.11","0.01","98.4","0.01","849.8","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","3,3-Diethoxycarbonyl-2-(p-tolylsulfinyl)acrylonitrile","Diethyl 2-[cyano(toluene-4-sulfinyl)methylene]propanedioate","","- C16 H17 N O5 S -","- C16 H17 N O5 S -","- C32 H34 N2 O10 S2 -","2","1","BJ1028","Toscano, Rubén A.; Hernández-Ortega, Simón; Ortiz, Benjamín; Sánchez-Obregón, Rubén; Walls, Fernando; Yuste, Francisco","Diethyl 2-[cyano(toluene-4-sulfinyl)methylene]propanedioate and its Diels‒Alder adduct with cyclopentadiene","Acta Crystallographica Section C","2001","57","11","1313","1315","10.1107/S0108270101012951","","","0.71073","MoKα","","0.088","0.053","","","","0.177","","","","","","1.066","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00","" "2012288","8.458","0.001","15.137","0.002","15.93","0.003","90","","95.98","0.02","90","","2028.4","0.5","293","2","293","2","","","","","","","","5","C 1 c 1","C -2yc","9","3,3-Diethoxycarbonyl-2-(p-tolylsulfinyl)bicyclo[2.2.1]hept- 5-ene-2-carbonitrile","Diethyl 3-cyano-3-(toluene-4-sulfinyl)bicyclo[2.2.1]hepta-5-ene-2,2-dicarboxylate","","- C21 H23 N O5 S -","- C21 H23 N O5 S -","- C84 H92 N4 O20 S4 -","4","1","BJ1028","Toscano, Rubén A.; Hernández-Ortega, Simón; Ortiz, Benjamín; Sánchez-Obregón, Rubén; Walls, Fernando; Yuste, Francisco","Diethyl 2-[cyano(toluene-4-sulfinyl)methylene]propanedioate and its Diels‒Alder adduct with cyclopentadiene","Acta Crystallographica Section C","2001","57","11","1313","1315","10.1107/S0108270101012951","","","0.71073","MoKα","","0.144","0.064","","","","0.141","","","","","","0.961","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00","" "2012289","13.06","0.002","7.3266","0.0011","15.0029","0.0018","90","","103.842","0.01","90","","1393.9","0.3","295","2","295","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Diaquabis(propane-1,2-diamine-N,N')nickel(II) bis(p-toluenesulfonate)","","- C20 H38 N4 Ni O8 S2 -","- C20 H38 N4 Ni O8 S2 -","- C40 H76 N8 Ni2 O16 S4 -","2","0.5","BJ1030","Kim, Chong-Hyeak; Lee, Sueg-Geun","Diaquabis(propane-1,2-diamine-N,N')nickel(II) bis(p-toluenesulfonate)","Acta Crystallographica Section C","2001","57","11","1259","1260","10.1107/S010827010101294X","","","0.71073","MoKα","","0.048","0.039","","","","0.112","","","","","","1.063","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00","" "2012290","8.425","0.0007","11.2156","0.0007","20.8889","0.0014","90","","94.499","0.003","90","","1967.7","0.2","110","2","110","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","trans Diaqua(biquinoline N,N')(nitrato O,O')-Nickel(II) nitrate,hydrate","","- C18 H18 N4 Ni O9 -","- C18 H18 N4 Ni O9 -","- C72 H72 N16 Ni4 O36 -","4","1","BK1615","Freire, Eleonora; Baggio, Sergio; Goeta, Andrés; Baggio, Ricardo","trans-Diaqua(2,2'-biquinoline-N,N')(nitrato-O,O')nickel(II) nitrate hydrate","Acta Crystallographica Section C","2001","57","11","1268","1270","10.1107/S0108270101013592","","","0.71073","MoKα","","0.031","0.025","","","","0.064","","","","","","1.059","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00","" "2012291","9.109","0.002","10.883","0.003","13.964","0.004","110.16","0.02","96.6","0.02","98.27","0.02","1265.6","0.6","100","","100","","","","","","","","","4","P -1","-P 1","2","Tribenzo-18-crown-6","2,3,12,15,22,25-hexaoxatetracyclo-[24.4.0.0^6,11^.0^16,21^]triaconta- 6(11),7,9,16(21),17,19,26(1),27,29-nonaene acetonitrile disolvate","","- C28 H30 N2 O6 -","- C28 H30 N2 O6 -","- C56 H60 N4 O12 -","2","1","BK1618","Bryan, Jeffrey C.; Engle, Nancy L.; Sachleben, Richard A.; Hay, Benjamin P.","Tribenzo-18-crown-6 acetonitrile disolvate","Acta Crystallographica Section C","2001","57","11","1359","1360","10.1107/S0108270101016109","","","0.71073","MoKα","","0.06","0.042","","","","0.115","","","","","","1.06","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00","" "2012292","15.306","0.007","7.788","0.004","16.426","0.007","90","","132.31","0.03","90","","1448","1.4","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","Methyl 2-(3,4-dimethoxyphenoxy)benzoate","","- C16 H16 O5 -","- C16 H16 O5 -","- C64 H64 O20 -","4","1","BM1457","Gales, Luis; Sousa, Maria Emilia de; Pinto, Madalena M. M.; Kijjoa, Anake; Damas, Ana M.","Naturally occurring 1,2,8-trimethoxyxanthone and biphenyl ether intermediates leading to 1,2-dimethoxyxanthone","Acta Crystallographica Section C","2001","57","11","1319","1323","10.1107/S010827010101349X","","","0.71069","MoKα","","0.091","0.055","","","","0.165","","","","","","1.05","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00","" "2012293","7.92","0.004","8.55","0.005","11.36","0.007","76.02","0.07","82.46","0.07","64.2","0.06","671.8","0.8","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","2-(3,4-Dimethoxyphenoxy)benzoic acid","","- C15 H14 O5 -","- C15 H14 O5 -","- C30 H28 O10 -","2","1","BM1457","Gales, Luis; Sousa, Maria Emilia de; Pinto, Madalena M. M.; Kijjoa, Anake; Damas, Ana M.","Naturally occurring 1,2,8-trimethoxyxanthone and biphenyl ether intermediates leading to 1,2-dimethoxyxanthone","Acta Crystallographica Section C","2001","57","11","1319","1323","10.1107/S010827010101349X","","","0.71069","MoKα","","0.058","0.05","","","","0.159","","","","","","1.058","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00","" "2012294","4.953","0.002","13.93","0.006","17.67","0.008","90","","97.23","0.06","90","","1209.5","0.9","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","1,2-Dimethoxy-9H-xanthen-9-one","","- C15 H12 O4 -","- C15 H12 O4 -","- C60 H48 O16 -","4","1","BM1457","Gales, Luis; Sousa, Maria Emilia de; Pinto, Madalena M. M.; Kijjoa, Anake; Damas, Ana M.","Naturally occurring 1,2,8-trimethoxyxanthone and biphenyl ether intermediates leading to 1,2-dimethoxyxanthone","Acta Crystallographica Section C","2001","57","11","1319","1323","10.1107/S010827010101349X","","","0.71069","MoKα","","0.08","0.052","","","","0.168","","","","","","1.072","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00","" "2012295","5.273","0.001","15.443","0.004","16.55","0.006","90","","90","","90","","1347.7","0.7","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","1,2,8-Trimethoxy-9H-xanthen-9-one","","- C16 H14 O5 -","- C16 H14 O5 -","- C64 H56 O20 -","4","1","BM1457","Gales, Luis; Sousa, Maria Emilia de; Pinto, Madalena M. M.; Kijjoa, Anake; Damas, Ana M.","Naturally occurring 1,2,8-trimethoxyxanthone and biphenyl ether intermediates leading to 1,2-dimethoxyxanthone","Acta Crystallographica Section C","2001","57","11","1319","1323","10.1107/S010827010101349X","","","0.71073","MoKα","","0.049","0.042","","","","0.108","","","","","","1.029","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00","" "2012296","8.097","0.003","9.223","0.004","10.906","0.004","76.71","0.03","73.12","0.03","75.25","0.03","742.9","0.5","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","(E)-4-(3-indolylvinyl)-N-methylpyridinium iodide","","- C16 H15 I N2 -","- C16 H15 I N2 -","- C32 H30 I2 N4 -","2","1","BM1458","Wang, Zheng; Nesterov, Vladimir N.; Borbulevych, Oleg Ya.; Clark, Ronald D.; Antipin, Mikhail Yu.; Timofeeva, Tatiana V.","Indole- and carbazole-substituted pyridinium iodide salts: a rare case of conformational isomerism in crystals","Acta Crystallographica Section C","2001","57","11","1343","1348","10.1107/S010827010101397X","","","0.71073","MoKα","","0.0648","0.0533","","","","0.1417","","","","","","1.044","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00","" "2012297","7.3189","0.0017","20.96","0.005","10.009","0.002","90","","102.597","0.006","90","","1498.5","0.6","200","2","200","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(E)-4-(3-indolylvinyl)-N-methylpyridinium iodide","","- C16 H15 I N2 -","- C16 H15 I N2 -","- C64 H60 I4 N8 -","4","1","BM1458","Wang, Zheng; Nesterov, Vladimir N.; Borbulevych, Oleg Ya.; Clark, Ronald D.; Antipin, Mikhail Yu.; Timofeeva, Tatiana V.","Indole- and carbazole-substituted pyridinium iodide salts: a rare case of conformational isomerism in crystals","Acta Crystallographica Section C","2001","57","11","1343","1348","10.1107/S010827010101397X","","","0.71073","MoKα","","0.0979","0.0475","","","","0.118","","","","","","0.824","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00","" "2012298","15.3795","0.0019","13.8324","0.0017","14.169","0.0017","90","","100.816","0.002","90","","2960.7","0.6","110","2","110","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(E)-4-(3-indolylvinyl)-N-methylpyridinium iodide hemihydrate","","- C16 H16 I N2 O0.5 -","- C16 H15 I N2 O0.5 -","- C128 H120 I8 N16 O4 -","8","2","BM1458","Wang, Zheng; Nesterov, Vladimir N.; Borbulevych, Oleg Ya.; Clark, Ronald D.; Antipin, Mikhail Yu.; Timofeeva, Tatiana V.","Indole- and carbazole-substituted pyridinium iodide salts: a rare case of conformational isomerism in crystals","Acta Crystallographica Section C","2001","57","11","1343","1348","10.1107/S010827010101397X","","","0.71073","MoKα","","0.0613","0.0507","","","","0.1388","","","","","","1.053","","","","has coordinates,has disorder,has Fobs","176435","2020-10-21","18:00:00","" "2012299","7.554","0.002","16.046","0.006","16.295","0.005","82.27","0.03","87.36","0.02","87.42","0.03","1953.6","1.1","110","2","110","2","","","","","","","","4","P -1","-P 1","2","","(E)-4-(9-ethylcarbazol-3-ylvinyl)-N-methylpyridinium iodide","","- C22 H21 I N2 -","- C22 H21 I N2 -","- C88 H84 I4 N8 -","4","2","BM1458","Wang, Zheng; Nesterov, Vladimir N.; Borbulevych, Oleg Ya.; Clark, Ronald D.; Antipin, Mikhail Yu.; Timofeeva, Tatiana V.","Indole- and carbazole-substituted pyridinium iodide salts: a rare case of conformational isomerism in crystals","Acta Crystallographica Section C","2001","57","11","1343","1348","10.1107/S010827010101397X","","","0.71073","MoKα","","0.0575","0.0408","","","","0.0955","","","","","","0.909","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00","" "2012300","11.002","0.006","17.208","0.003","11.157","0.007","90","","114.86","0.02","90","","1916.5","1.7","293","","293","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","3,6-Bis(dimethylamino)-10-propylacridinium iodide","","- C20 H26 I N3 -","- C20 H26 I N3 -","- C80 H104 I4 N12 -","4","1","BM1459","Puliti, Raffaella; Mattia, Carlo Andrea","3,6-Bis(dimethylamino)-10-propylacridinium iodide","Acta Crystallographica Section C","2001","57","11","1338","1340","10.1107/S0108270101013774","","","1.5418","CuKα","","0.045","0.041","","","","0.043","","","","","","0.956","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00","" "2012301","17.4947","0.0002","9.873","0.0001","11.1165","0.0001","90","","90","","90","","1920.1","0.03","150","2","150","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","trans-dibromobis(5-tert-butylpyrazole-N^2^)copper(II)","","- C14 H24 Br2 Cu N4 -","- C14 H23.9999 Br2 Cu N4 -","- C55.9998 H95.9996 Br8 Cu4 N16 -","4","1","BM1461","Liu, Xiaoming; Kilner, Colin A.; Thornton-Pett, Mark; Halcrow, Malcolm A.","Two complexes of CuBr~2~ with 5-tert-butylpyrazole","Acta Crystallographica Section C","2001","57","11","1253","1255","10.1107/S0108270101012653","","","0.71073","MoKα","","0.0245","0.0235","","","","0.0597","","","","","","1.058","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00","" "2012302","19.5985","0.0003","11.9918","0.0002","15.9131","0.0002","90","","109.826","0.0006","90","","3518.24","0.09","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","trans-dibromotetrakis(5-tert-butylpyrazole-N^2^)copper(II)","","- C28 H48 Br2 Cu N8 -","- C28 H48 Br2 Cu N8 -","- C112 H192 Br8 Cu4 N32 -","4","0.5","BM1461","Liu, Xiaoming; Kilner, Colin A.; Thornton-Pett, Mark; Halcrow, Malcolm A.","Two complexes of CuBr~2~ with 5-tert-butylpyrazole","Acta Crystallographica Section C","2001","57","11","1253","1255","10.1107/S0108270101012653","","","0.71073","MoKα","","0.03","0.0263","","","","0.0702","","","","","","1.066","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00","" "2012303","11.401","0.003","6.118","0.002","12.262","0.004","90","","107.09","0.02","90","","817.5","0.4","120","2","120","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","hexafluorobenzene‒trans-stilbene (1/1)","","- C20 H12 F6 -","- C20 H12 F6 -","- C40 H24 F12 -","2","0.5","BM1463","Batsanov, Andrei S.; Howard, Judith A. K.; Marder, Todd B.; Robins, Edward G.","Arene‒perfluoroarene interactions in crystal engineering. 4. Hexafluorobenzene‒trans-stilbene (1/1)","Acta Crystallographica Section C","2001","57","11","1303","1305","10.1107/S0108270101013294","","","0.71073","MoKα","","0.107","0.0776","","","","0.207","","","","","","1.107","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00","" "2012304","8.581","0.003","6.321","0.002","15.355","0.002","90","","98.16","0.01","90","","824.4","0.4","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","OFN-TTF","Octafluoronaphthalene-tetrathiafulvalene (1/1)","","- C16 H4 F8 S4 -","- C16 H4 F8 S4 -","- C32 H8 F16 S8 -","2","0.5","BM1464","Batsanov, Andrei S.; Collings, Jonathan C.; Howard, Judith A. K.; Marder, Todd B.; Perepichka, Dmitrii F.","Arene‒perfluoroarene interactions in crystal engineering. 5. Octafluoronaphthalene‒tetrathiafulvalene (1/1)","Acta Crystallographica Section C","2001","57","11","1306","1307","10.1107/S0108270101013075","","","0.71073","MoKα","","0.027","0.023","","","","0.06","","","","","","1.057","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00","" "2012305","12.534","0.002","13.044","0.002","17.633","0.002","104.059","0.009","96.781","0.009","114.31","0.01","2469.8","0.7","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","(Bis(diphenylphosphino)methane)-(1,3-bis(diphenylphosphino)propane) -platinum(II) dibromide","","- C52 H48 Br2 P4 Pt -","- C52 H48 Br2 P4 Pt -","- C104 H96 Br4 P8 Pt2 -","2","1","BM1466","Günes̨, Bi̇lal; Nergi̇z , Emel; i̇de, Semra; s̨ahi̇n, Ertan; İri̇s̨li̇, Sevi̇l","[Bis(diphenylphosphino)methane][1,3-bis(diphenylphosphino)propane]platinum(II) dibromide","Acta Crystallographica Section C","2001","57","11","1282","1284","10.1107/S0108270101014159","","","0.71073","MoKα","","0.0963","0.0448","","","","0.1544","","","","","","1.278","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00","" "2012306","22.469","0.005","4.6467","0.0009","16.501","0.003","90","","90","","90","","1722.8","0.6","291","2","291","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C18 H18 O8 -","- C18 H18 O8 -","- C72 H72 O32 -","4","1","DA1200","Zhang, Fuyi; Du, Chen-xia; Liu, Hong-Min; Zhu, Yu","A novel glycoside lactone derivative with a 2-C-unsaturated diester substituent","Acta Crystallographica Section C","2001","57","11","1361","1362","10.1107/S0108270101015505","","","0.71073","MoKα","","0.0708","0.0536","","","","0.1031","","","","","","1.129","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00","" "2012307","8.971","0.002","14.195","0.003","10.358","0.002","90","","112.24","0.03","90","","1220.9","0.5","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","cis-bis(dimethyl sulphoxide)dinitratopalladium(II)","","- C4 H12 N2 O8 Pd S2 -","- C4 H12 N2 O8 Pd S2 -","- C16 H48 N8 O32 Pd4 S8 -","4","1","DN1000","Johansson, Maria H.; Oskarsson, Åke","cis-Bis(dimethyl sulfoxide-S)dinitratopalladium(II) and cis-dinitratobis(1,4-oxathiane-S)palladium(II)","Acta Crystallographica Section C","2001","57","11","1265","1267","10.1107/S0108270101013579","","","0.71073","MoKα","","0.0526","0.0327","","","","0.0718","","","","","","1.022","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00","" "2012308","8.9697","0.0018","9.3263","0.0019","18.317","0.004","90","","97.56","0.03","90","","1519","0.6","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","cis-dinitratobistioxanepalladium(II)","","- C8 H16 N2 O8 Pd S2 -","- C8 H16 N2 O8 Pd S2 -","- C32 H64 N8 O32 Pd4 S8 -","4","1","DN1000","Johansson, Maria H.; Oskarsson, Åke","cis-Bis(dimethyl sulfoxide-S)dinitratopalladium(II) and cis-dinitratobis(1,4-oxathiane-S)palladium(II)","Acta Crystallographica Section C","2001","57","11","1265","1267","10.1107/S0108270101013579","","","0.71073","MoKα","","0.0699","0.0403","","","","0.0936","","","","","","1.013","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00","" "2012309","7.695","0.0015","14.828","0.003","8.006","0.0016","90","","112.11","0.03","90","","846.3","0.3","206","2","206","2","","","","","","","","5","P 1 21 1","P 2yb","4","(2-Fluorophenylimino)tripyrrolylphosphorane","","","- C18 H16 F N4 P -","- C18 H16 F N4 P -","- C36 H32 F2 N8 P2 -","2","1","FR1341","Bell, Stephen A.; Meyer, Tara Y.; Geib, Steven J.","(2-Fluorophenylimino)tri(1-pyrrolyl)phosphorane","Acta Crystallographica Section C","2001","57","11","1341","1342","10.1107/S0108270101013877","","","0.71073","MoKα","","0.0517","0.0378","","","","0.0889","","","","","","1.102","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00","" "2012310","12.6428","0.0013","15.351","0.004","17.868","0.008","111.91","0.03","94.05","0.03","90.48","0.02","3207","1.8","296","","296","","","","","","","","","5","P -1","-P 1","2","","μ-Bis(diphenylphosphino)methane-P:P'-octacarbonyldimanganese(Mn-Mn)","","- C33 H22 Mn2 O8 P2 -","- C33 H22 Mn2 O8 P2 -","- C132 H88 Mn8 O32 P8 -","4","2","FR1342","Baxley, Gregory T.; Stiegman, Albert E.; Nieckarz, Gregory F.; Weakley, Timothy J. R.; Tyler, David R.; Gilbertson, John","μ-Bis(diphenylphosphino)methane-P:P'-octacarbonyldimanganese(Mn‒Mn) and its toluene hemisolvate","Acta Crystallographica Section C","2001","57","11","1292","1294","10.1107/S0108270101013130","","","0.71073","MoKα","","0.061","0.041","","0.086","","0.044","","","1.4","","","1.6","","","","has coordinates","176760","2020-10-21","18:00:00","" "2012311","18.286","0.002","18.286","0.002","41.345","0.006","90","","90","","90","","13825","3","294","","294","","","","","","","","","5","I 41 c d","I 4bw -2c","110","","μ-Bis(diphenylphosphino)methane-P:P'-octacarbonyldimanganese(Mn-Mn) toluene hemisolvate","","- C36.5 H26 Mn2 O8 P2 -","- C36.5 H24.5 Mn2 O8 P2 -","- C584 H392 Mn32 O128 P32 -","16","1","FR1342","Baxley, Gregory T.; Stiegman, Albert E.; Nieckarz, Gregory F.; Weakley, Timothy J. R.; Tyler, David R.; Gilbertson, John","μ-Bis(diphenylphosphino)methane-P:P'-octacarbonyldimanganese(Mn‒Mn) and its toluene hemisolvate","Acta Crystallographica Section C","2001","57","11","1292","1294","10.1107/S0108270101013130","","","0.71073","MoKα","","0.065","0.045","","0.079","","0.038","","","1.32","","","1.31","","","","has coordinates","176432","2020-10-21","18:00:00","" "2012312","6.988","0.002","12.031","0.003","12.869","0.004","90","","103.33","0.02","90","","1052.8","0.5","160","2","160","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1,2-Dicarba-closo-dodecaborane(12)-1-carboxylic acid","","- C3 H12 B10 O2 -","- C3 H12 B10 O2 -","- C12 H48 B40 O8 -","4","1","GD1160","Welch, Alan J.; Venkatasubramanian, Ulaganathan; Rosair, Georgina M.; Ellis, David; Donohoe, David J.","Crystal engineering with heteroboranes. I. 1-Carboxy-1,2-dicarba-closo-dodecaborane(11)","Acta Crystallographica Section C","2001","57","11","1295","1296","10.1107/S0108270101010204","","","0.71073","MoKα","","0.054","0.043","","","","0.119","","","","","","1.018","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00","" "2012313","12.4478","0.0007","12.488","0.0008","15.6692","0.0009","75.954","0.001","76.134","0.001","79.438","0.001","2273.7","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","Dichlorobis(2,6-dichloropyrazine-N^4^)zinc(II)","","- C8 H4 Cl6 N4 Zn -","- C8 H4 Cl6 N4 Zn -","- C48 H24 Cl36 N24 Zn6 -","6","3","GD1164","Hu, Chunhua; Englert, Ulli","Twinned dichlorobis(2,6-dichloropyrazine-N^4^)zinc(II)","Acta Crystallographica Section C","2001","57","11","1251","1252","10.1107/S0108270101012136","","","0.71073","MoKα","","0.074","0.038","","","","0.077","","","","","","0.808","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00","" "2012314","9.441","0.004","8.085","0.003","20.666","0.011","90","","93.49","0.001","90","","1574.5","1.2","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","poly[Cadmium(II)-μ-4,4'-oxydianiline-N:N'-di-μ-thiocyanato-N:S]","","- C14 H12 Cd N4 O S2 -","- C14 H12 Cd N4 O S2 -","- C56 H48 Cd4 N16 O4 S8 -","4","0.5","GD1168","Chen, Hong-Ji; Yu, Wen-Juan; Chen, Xiao-Ming; Zheng, Wen-Jie","Poly[cadmium(II)-μ-4,4'-oxydianiline-N:N'-di-μ-thiocyanato-N:S]","Acta Crystallographica Section C","2001","57","11","1285","1287","10.1107/S0108270101014305","","","0.71073","MoKα","","0.04","0.03","","","","0.083","","","","","","1.071","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00","" "2012315","8.328","0.0003","8.393","0.0003","10.212","0.0004","90","","106.696","0.002","90","","683.7","0.04","150","2","150","2","","","","","","","","3","P 1 21 1","P 2yb","4","","(3β,3aβ,7β,8aα)-(±)-6,6-ethylenedioxy-3,8,8-trimethyl- 1,2,3,3a,4,5,6,7,8,8a-decahydro-3a,7-methanoazulen-2-one","","- C16 H24 O3 -","- C16 H24 O3 -","- C32 H48 O6 -","2","1","GD1172","Kennedy, Alan R.; Kerr, William J.; McLaughlin, Mark; Pauson, Peter L.","Key tricyclic synthetic intermediates for the preparation of the sesquiterpenes α- and β-cedrene","Acta Crystallographica Section C","2001","57","11","1316","1318","10.1107/S0108270101013336","","","0.71073","MoKα","","0.033","0.031","","","","0.08","","","","","","1.068","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00","" "2012316","6.0402","0.0013","31.423","0.004","7.7111","0.0013","90","","107.469","0.015","90","","1396.1","0.4","295","2","295","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","(3β,3aβ,7β)-(±)-6,6-ethylenedioxy-3,8,8-trimethyl-2,3,3a,4,5,6,7,8- octahydro-3a,7-methanoazulen-2-one","","- C16 H22 O3 -","- C16 H22 O3 -","- C64 H88 O12 -","4","1","GD1172","Kennedy, Alan R.; Kerr, William J.; McLaughlin, Mark; Pauson, Peter L.","Key tricyclic synthetic intermediates for the preparation of the sesquiterpenes α- and β-cedrene","Acta Crystallographica Section C","2001","57","11","1316","1318","10.1107/S0108270101013336","","","0.71069","MoKα","","0.126","0.048","","","","0.142","","","","","","1.011","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00","" "2012317","34.149","0.011","7.654","0.003","6.144","0.002","90","","98.02","0.03","90","","1590.2","1","160","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","Sodium phenoxyacetate hemihydrate","","- C8 H8 Na O3.5 -","- C8 H8 Na O3.5 -","- C64 H64 Na8 O28 -","8","1","GD1176","Evans, James M. B.; Kapitan, Anoop; Rosair, Georgina M.; Roberts, Kevin J.; White, Graeme","Sodium phenoxyacetate hemihydrate","Acta Crystallographica Section C","2001","57","11","1277","1278","10.1107/S0108270101013762","","","0.71073","MoKα","","0.0674","0.052","","","","0.1393","","","","","","1.042","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00","" "2012318","16.823","0.002","8.36","0.006","17.461","0.003","90","","118.33","0.01","90","","2161.6","1.6","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2-(2,4,5,7-tetranitrofluorene-9-ylidene)propanedinitrile chlorobenzene solvate","","- C22 H9 Cl N6 O8 -","- C22 H9 Cl N6 O8 -","- C88 H36 Cl4 N24 O32 -","4","1","GG1068","Batsanov, Andrei S.; Perepichka, Igor F.; Bryce, Martin R.; Howard, Judith A. K.","Cocrystals of 2-(2,4,5,7-tetranitrofluoren-9-ylidene)propanedinitrile and 2,4,5,7-tetranitrofluoren-9-one with chlorobenzene","Acta Crystallographica Section C","2001","57","11","1299","1302","10.1107/S0108270101011556","","","0.71073","MoKα","","0.05","0.038","","","","0.092","","","","","","1.102","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00","" "2012319","6.984","0.001","15.088","0.002","23.217","0.002","90","","90","","90","","2446.5","0.5","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","2,4,5,7-tetranitrofluoren-9-one bis(chlorobenzene) solvate","","- C25 H14 Cl2 N4 O9 -","- C25 H14 Cl2 N4 O9 -","- C100 H56 Cl8 N16 O36 -","4","1","GG1068","Batsanov, Andrei S.; Perepichka, Igor F.; Bryce, Martin R.; Howard, Judith A. K.","Cocrystals of 2-(2,4,5,7-tetranitrofluoren-9-ylidene)propanedinitrile and 2,4,5,7-tetranitrofluoren-9-one with chlorobenzene","Acta Crystallographica Section C","2001","57","11","1299","1302","10.1107/S0108270101011556","","","0.71073","MoKα","","0.142","0.076","","","","0.15","","","","","","1.255","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00","" "2012320","7.4878","0.0009","10.1793","0.0012","11.022","0.0013","69.955","0.002","83.957","0.002","79.806","0.002","775.85","0.16","150","2","150","2","","","","","","","","3","P -1","-P 1","2","","Dimethyl (4aS*,6S*)-6-methoxy-7-oxo-4a,5,6,7,8,9-hexahydro-2H- benzocycloheptene-3,4-dicarboxylate","","- C16 H20 O6 -","- C16 H20 O6 -","- C32 H40 O12 -","2","1","GG1070","Wilson, Claire; Clark, J. Stephen; Bate, Andrea L.; Blake, Alexander J.; Grinter, Trevor; Teat, Simon J.","Diels‒Alder adducts of medium-ring carbocyclic dienes prepared by rearrangement of catalytically generated cyclic oxonium ylides","Acta Crystallographica Section C","2001","57","11","1326","1329","10.1107/S0108270101013440","","","0.71073","MoKα","","0.04","0.035","","","","0.1","","","","","","1.06","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00","" "2012321","27.666","0.009","5.066","0.002","22.793","0.007","90","","105.149","0.005","90","","3083.6","1.8","150","2","150","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","dimethyl (4aS*,6R*)-6-methoxy-7-oxo-4a,5,6,7,8,9-hexahydro-2H- benzocycloheptene-3,4-dicarboxylate","","- C16 H20 O6 -","- C16 H20 O6 -","- C128 H160 O48 -","8","1","GG1070","Wilson, Claire; Clark, J. Stephen; Bate, Andrea L.; Blake, Alexander J.; Grinter, Trevor; Teat, Simon J.","Diels‒Alder adducts of medium-ring carbocyclic dienes prepared by rearrangement of catalytically generated cyclic oxonium ylides","Acta Crystallographica Section C","2001","57","11","1326","1329","10.1107/S0108270101013440","","","0.71073","MoKα","","0.063","0.05","","","","0.126","","","","","","0.977","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00","" "2012322","14.1076","0.0019","11.3501","0.0015","7.7762","0.001","90","","96.28","0.002","90","","1237.7","0.3","150","2","150","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","(3aS*,9R*,10aS*,10bR*)-9-methoxy-1,3a,4,6,7,8,9,10,10a,10b-decahydro-2-oxa- 3H-cyclohepta[e]inden-1,3,8-trione","","- C14 H16 O5 -","- C14 H16 O5 -","- C56 H64 O20 -","4","1","GG1070","Wilson, Claire; Clark, J. Stephen; Bate, Andrea L.; Blake, Alexander J.; Grinter, Trevor; Teat, Simon J.","Diels‒Alder adducts of medium-ring carbocyclic dienes prepared by rearrangement of catalytically generated cyclic oxonium ylides","Acta Crystallographica Section C","2001","57","11","1326","1329","10.1107/S0108270101013440","","","0.71073","MoKα","","0.043","0.035","","","","0.1","","","","","","1.073","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00","" "2012323","14.676","0.002","9.967","0.002","18.937","0.003","90","","90","","90","","2770","0.8","150","2","150","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","(1S*,2R*,9S*,10aR*)-9-methoxy-8-oxo-1,2,3,5,6,7,8,9,10,10a-decahydro- benzocyclooctene-1,2-dicarboxylic acid","","- C15 H20 O6 -","- C15 H20 O6 -","- C120 H160 O48 -","8","1","GG1070","Wilson, Claire; Clark, J. Stephen; Bate, Andrea L.; Blake, Alexander J.; Grinter, Trevor; Teat, Simon J.","Diels‒Alder adducts of medium-ring carbocyclic dienes prepared by rearrangement of catalytically generated cyclic oxonium ylides","Acta Crystallographica Section C","2001","57","11","1326","1329","10.1107/S0108270101013440","","","0.6892","synchrotron","","0.118","0.084","","","","0.231","","","","","","1.08","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00","" "2012324","10.53","0.001","11.469","0.001","11.491","0.001","109.589","0.008","112.69","0.008","97.64","0.009","1150","0.2","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","2-{4-[(3-butyl-1,4-dioxo-2,3-diazaspiro[4.4]non-2-yl)methyl]benzoyl}benzoic acid","","- C26 H28 N2 O5 -","- C26 H28 N2 O5 -","- C52 H56 N4 O10 -","2","1","GG1071","Cauvin, Christine; Le Bourdonnec, Bertrand; Norberg, Bernadette; Hénichart, Jean-Pierre; Durant, François","Pyrazolidine-3,5-dione angiotensin-II receptor antagonists","Acta Crystallographica Section C","2001","57","11","1330","1332","10.1107/S0108270101013506","","","1.54178","CuKα","","0.066","0.05","","","","0.152","","","","","","1.039","","","","has coordinates","201957","2020-10-21","18:00:00","" "2012325","16.122","0.001","12.682","0.001","11.92","0.001","90","","97.139","0.007","90","","2418.3","0.3","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2-{4-[(3-butyl-1,4-dioxo-2,3-diazaspiro[4.4]non-2-yl)methyl]benzamido}benzoic acid","","- C26 H29 N3 O5 -","- C26 H29 N3 O5 -","- C104 H116 N12 O20 -","4","1","GG1071","Cauvin, Christine; Le Bourdonnec, Bertrand; Norberg, Bernadette; Hénichart, Jean-Pierre; Durant, François","Pyrazolidine-3,5-dione angiotensin-II receptor antagonists","Acta Crystallographica Section C","2001","57","11","1330","1332","10.1107/S0108270101013506","","","1.54178","CuKα","","0.177","0.053","","","","0.164","","","","","","0.963","","","","has coordinates","201957","2020-10-21","18:00:00","" "2012326","18.681","0.001","9.565","0.001","14.837","0.001","90","","111.904","0.007","90","","2459.7","0.4","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2-{4-[(3-butyl-1,4-dioxo-2,3-diazaspiro[4.4]non-2-yl)methyl]amilinocarbonyl} benzoic acid monohydrate","","- C26 H31 N3 O6 -","- C26 H31 N3 O6 -","- C104 H124 N12 O24 -","4","1","GG1071","Cauvin, Christine; Le Bourdonnec, Bertrand; Norberg, Bernadette; Hénichart, Jean-Pierre; Durant, François","Pyrazolidine-3,5-dione angiotensin-II receptor antagonists","Acta Crystallographica Section C","2001","57","11","1330","1332","10.1107/S0108270101013506","","","1.54178","CuKα","","0.093","0.049","","","","0.151","","","","","","1.022","","","","has coordinates,has disorder","176760","2020-10-21","18:00:00","" "2012327","23.6298","0.0006","9.6215","0.0003","14.2657","0.0004","90","","120.293","0.0016","90","","2800.51","0.14","150","1","150","1","","","","","","","","5","C 1 c 1","C -2yc","9","","4-(4-Chlorophenyl)-3,7,7-trimethyl-1-[2-(4-nitrobenzoyl)ethyl]-4,7,8,9- tetrahydro-1H-pyrazolo[3,4-b]quinolin-5(6H)-one-ethanol (1/1)","","- C30 H33 Cl N4 O5 -","- C30 H33 Cl N4 O5 -","- C120 H132 Cl4 N16 O20 -","4","1","GG1082","Low, John Nicolson; Cobo, Justo; Nogueras, Manuel; Sánchez, Adolfo; Quiroga, Jairo; Mejía, Diana","4-(4-Chlorophenyl)-3,7,7-trimethyl-1-[2-(4-nitrobenzoyl)ethyl]-4,7,8,9-tetrahydro-1H-pyrazolo[3,4-b]quinolin-5(6H)-one‒ethanol (1/1)","Acta Crystallographica Section C","2001","57","11","1356","1358","10.1107/S0108270101014913","","","0.71073","MoKα","","0.055","0.043","","","","0.098","","","","","","0.997","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00","" "2012328","10.78","0.002","10.78","0.002","13.449","0.002","90","","90","","120","","1353.5","0.4","293","","","","","","","","","","","4","P 31 2 1","P 31 2""","152","","","","- Ca1.73 Ge3 Na2.54 O9 -","- Ca1.73 Ge3 Na2.54 O9 -","- Ca10.38 Ge18 Na15.24 O54 -","6","1","IZ1014","Nishi, Fumito","Trigonal sodium calcium germanate, Na~2.54~Ca~1.73~Ge~3~O~9~","Acta Crystallographica Section C","2001","57","11","1231","1233","10.1107/S0108270101012963","","","0.71073","MoKα","","","0.062","","","","0.068","","","","","","1.34","","","","has coordinates","176760","2020-10-21","18:00:00","" "2012329","16.0054","0.0001","13.02","0.0001","17.2445","0.0001","90","","105.29","0.01","90","","3466.39","0.17","153","2","153","2","","","","","","","","6","C 1 c 1","C -2yc","9","","[2-carbonyl-2,2-bis(triphenylphosphine)-nido-2-osmahexaborane(9)]","","- C37 H39 B5 O Os P2 -","- C37 H38 B5 O Os P2 -","- C148 H152 B20 O4 Os4 P8 -","4","1","IZ1015","Bould, Jonathan; Kennedy, John D.; Thomas, Rhodri Ll.; Rath, Nigam P.; Barton, Lawrence","The nido‒osmaboranes [2,2,2-(CO)(PPh~3~)~2~-nido-2-OsB~5~H~9~] and [6,6,6-(CO)(PPh~3~)~2~-nido-6-OsB~9~H~13~]","Acta Crystallographica Section C","2001","57","11","1245","1247","10.1107/S0108270101012689","","","0.71073","MoKα","","0.028","0.026","","","","0.059","","","","","","1.034","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00","" "2012330","10.4617","0.0001","15.6821","0.0001","22.6315","0.0003","90","","91.08","0.01","90","","3712.3","0.07","223","2","223","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","[6-carbonyl-6,6-bis(triphenylphosphine)-nido-6-osmadecaborane(13)]","","- C37 H43 B9 O Os P2 -","- C37 H41 B9 O Os P2 -","- C148 H164 B36 O4 Os4 P8 -","4","1","IZ1015","Bould, Jonathan; Kennedy, John D.; Thomas, Rhodri Ll.; Rath, Nigam P.; Barton, Lawrence","The nido‒osmaboranes [2,2,2-(CO)(PPh~3~)~2~-nido-2-OsB~5~H~9~] and [6,6,6-(CO)(PPh~3~)~2~-nido-6-OsB~9~H~13~]","Acta Crystallographica Section C","2001","57","11","1245","1247","10.1107/S0108270101012689","","","0.71073","MoKα","","0.084","0.057","","","","0.116","","","","","","1.179","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00","" "2012331","8.173","0.001","8.173","0.001","20.278","0.004","90","","90","","90","","1354.5","0.4","293","2","293","2","","","","","","","","4","P 4/m c c","-P 4 2c","124","","Potassium Silver Tin Selenide","","- Ag2 K2 Se6 Sn2 -","- Ag2 K2 Se6 Sn2 -","- Ag8 K8 Se24 Sn8 -","4","0.25","IZ1017","Guo, Hongyou; Li, Zhenghe; Yang, Lin; Wang, Ping; Huang, Xiaoying; Li, Jing","Potassium silver tin selenide, K~2~Ag~2~Sn~2~Se~6~","Acta Crystallographica Section C","2001","57","11","1237","1238","10.1107/S0108270101014299","","","0.71073","MoKα","","0.088","0.0306","","","","0.0476","","","","","","0.993","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00","" "2012332","7.948","0.002","10.208","0.002","14.362","0.003","85.693","0.005","82.008","0.005","89.172","0.005","1150.6","0.4","210","2","210","2","","","","","","","","6","P -1","-P 1","2","[Cu(H~2~PO~4~)~2~(H~2~O)~2~(4,4'-bipy)~2~]","Diaquabis(4,4'-bipyridine)bis(dihydrogenphosphato)copper(II)","","- C20 H24 Cu N4 O10 P2 -","- C20 H24 Cu N4 O10 P2 -","- C40 H48 Cu2 N8 O20 P4 -","2","1","JZ1468","Abu-Shandi, Khalid; Janiak, Christoph; Kersting, Berthold","Diaquabis(4,4'-bipyridine-N)bis(dihydrogenphosphato-O)copper(II): blocking of extended metal‒ligand coordination by hydrogen bonding","Acta Crystallographica Section C","2001","57","11","1261","1264","10.1107/S0108270101012914","","","0.71073","MoKα","","0.0718","0.0361","","","","0.0959","","","","","","1.008","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00","" "2012333","5.7971","0.0012","6.5933","0.0014","5.4179","0.0012","90","","109.394","0.004","90","","195.33","0.07","293","2","293","2","","","","","","","","3","P 1 2/c 1","-P 2yc","13","","Tripotassium oxoantimonate(V)","","- K3 O4 Sb -","- K3 O4 Sb -","- K6 O8 Sb2 -","2","0.5","JZ1475","Hirschle, Christian; Rosstauscher, Jürgen; Röhr, Caroline","Potassium oxoantimonate(V), K~3~[SbO~4~]","Acta Crystallographica Section C","2001","57","11","1239","1241","10.1107/S0108270101014342","","","0.7107","MoKα","","0.05","0.048","","","","0.122","","","","","","1.238","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00","" "2012334","11.855","0.001","15.955","0.001","22.391","0.001","90","","103.77","0.01","90","","4113.5","0.5","180","2","180","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Chloro(isoquinoline-1-carboxylato-O,N)(2,9-dimethyl-1,10-phenanthroline- N,N')copper(II)","","- C24 H18 Cl Cu N3 O2 -","- C24 H18 Cl Cu N3 O2 -","- C192 H144 Cl8 Cu8 N24 O16 -","8","2","NA1524","Lemoine, Pascale; Viossat, Bernard","Chloro(2,9-dimethyl-1,10-phenanthroline-N,N')(isoquinoline-1-carboxylato-O,N)copper(II)","Acta Crystallographica Section C","2001","57","11","1248","1250","10.1107/S0108270101011799","","","0.71073","MoKα","","0.065","0.041","","","","0.118","","","","","","1.053","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00","" "2012335","15.983","0.001","6.5095","0.0004","29.068","0.001","90","","102.28","0.0005","90","","2955.1","0.3","123","1","","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C13 H12 Cu N4 O6 -","- C13 H9 Cu N4 O6 -","- C104 H72 Cu8 N32 O48 -","8","4","OA1117","Kato, Takayuki; Sugimoto, Kunihisa; Yamasaki, Mikio","Aqua[N-(6-carboxylato-κO-pyridine-2-carbonyl-κN)-L-histidinato-κ^2^N,N']copper(II)","Acta Crystallographica Section C","2001","57","11","1256","1258","10.1107/S0108270101012331","","","0.7107","MoKα","","","0.032","","","","0.074","","","","","","1.34","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00","" "2012336","12.8232","0.0005","22.4666","0.0008","26.612","0.001","90","","90.201","0.002","90","","7666.7","0.5","296.2","","296.2","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","Potassium bis(4,5-dimercapto-1,3-dithiole-2-thionato)nickelate 2,3:11,12-dibenzo-1,4,7,10,13,16-hexaoxocyclooctadeca-2,11-diene propanone solvate","","- C29 H30 K Ni O7 S10 -","- C29 H30 K Ni O7 S10 -","- C232 H240 K8 Ni8 O56 S80 -","8","1","OA1119","Shitagami, Kozo; Akutagawa, Tomoyuki; Hasegawa, Tatsuo; Nakamura, Takayoshi; Robertson, Neil","Potassium bis(4,5-dimercapto-1,3-dithiole-2-thionato)nickelate 1,4,7,10,13,16-hexaoxa-2,3:11,12-dibenzocyclooctadeca-2,11-diene propanone solvate","Acta Crystallographica Section C","2001","57","11","1271","1273","10.1107/S0108270101013713","","","0.7107","MoKα","","","0.0349","","","","0.0877","","","","","","1.045","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00","" "2012337","8.6307","0.0018","26.69","0.006","13.119","0.002","90","","102.305","0.015","90","","2952.6","1","296","2","296","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","[Ni(NO~3~)(tmen)(NIT2py)]PF6.CH2Cl2","[4,5-Dihydro-4,4,5,5-tetramethyl-2-(2-pyridyl-κN)imidazol-1-oxyl 3-oxide-κO^3^](nitrato-κ^2^O,O')(N,N,N',N'-tetramethyl-1,2-ethanediamine- κ^2^N,N')nickel(II) hexafluorophophate dichloromethane solvate","","- C19 H34 Cl2 F6 N6 Ni O5 P -","- C19 H34 Cl2 F6 N6 Ni O5 P -","- C76 H136 Cl8 F24 N24 Ni4 O20 P4 -","4","1","OA1122","Yoshida, Takafumi; Suzuki, Takayoshi; Kaizaki, Sumio","A nitronyl nitroxide complex of nickel(II) with nitrate as a ligand","Acta Crystallographica Section C","2001","57","11","1274","1276","10.1107/S0108270101013725","","","0.71069","MoKα","","0.1634","0.0473","","","","0.1535","","","","","","0.995","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00","" "2012338","4.299","0.003","9.065","0.0016","14.262","0.006","90","","92.67","0.05","90","","555.2","0.5","240","","240","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Ammonium Hydrogen Tartronate","Ammonium hydrogen hydroxypropanedioate","","- C3 H7 N O5 -","- C3 H7 N O5 -","- C12 H28 N4 O20 -","4","1","OB1043","Moritani, Yoshimitsu; Fukunaga, Takeo; Ishida, Hiroyuki; Kashino, Setsuo","Ammonium hydrogen tartronate at 240 and 20K","Acta Crystallographica Section C","2001","57","11","1349","1351","10.1107/S0108270101014123","","","0.71073","MoKα","","0.08","0.046","","","","0.125","","","","","","0.975","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00","" "2012339","4.2418","0.0007","9.0258","0.0012","14.217","0.003","90","","94.335","0.015","90","","542.75","0.16","20","","20","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Ammonium Hydrgen Tartronate","Ammonium hydrogen hydroxypropanedioate","","- C3 H7 N O5 -","- C3 H7 N O5 -","- C12 H28 N4 O20 -","4","1","OB1043","Moritani, Yoshimitsu; Fukunaga, Takeo; Ishida, Hiroyuki; Kashino, Setsuo","Ammonium hydrogen tartronate at 240 and 20K","Acta Crystallographica Section C","2001","57","11","1349","1351","10.1107/S0108270101014123","","","0.71073","MoKα","","0.053","0.037","","","","0.096","","","","","","1.015","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00","" "2012340","25.675","0.009","11.602","0.003","10.53","0.004","90","","90","","90","","3136.7","1.8","293","2","293","2","","","","","","","","4","P b c n","-P 2n 2ab","60","Tetrachloro bisphenol A","3,5,3',5'-Tetrachloro-4,4'-dihydroxy-diphenyl-dimethl-methane","","- C15 H12 Cl4 O2 -","- C15 H12 Cl4 O2 -","- C120 H96 Cl32 O16 -","8","1","OS1139","Eriksson, Johan; Eriksson, Lars","2,2',6,6'-Tetrachloro-4,4'-propane-2,2-diyldiphenol, 2,2',6-tribromo-4,4'-propane-2,2-diyldiphenol and 2,2',6,6'-tetrabromo-4,4'-propane-2,2-diyldiphenol","Acta Crystallographica Section C","2001","57","11","1308","1312","10.1107/S0108270101012112","","","0.71073","MoKα","","0.177","0.054","","","","0.075","","","","","","1.068","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00","" "2012341","19.545","0.003","30.971","0.004","10.0335","0.0019","90","","90","","90","","6073.6","1.7","293","2","293","2","","","","","","","","4","F d d 2","F 2 -2d","43","Tribromo bisphenol A","3,3',5'-Tribromo-4,4'-dihydroxy-diphenyl-dimethyl-methane","","- C15 H13 Br3 O2 -","- C15 H13 Br3 O2 -","- C240 H208 Br48 O32 -","16","1","OS1139","Eriksson, Johan; Eriksson, Lars","2,2',6,6'-Tetrachloro-4,4'-propane-2,2-diyldiphenol, 2,2',6-tribromo-4,4'-propane-2,2-diyldiphenol and 2,2',6,6'-tetrabromo-4,4'-propane-2,2-diyldiphenol","Acta Crystallographica Section C","2001","57","11","1308","1312","10.1107/S0108270101012112","","","0.71073","MoKα","","0.028","0.026","","","","0.063","","","","","","1.161","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00","" "2012342","12.0038","0.0016","12.0038","0.0016","11.618","0.003","90","","90","","90","","1674.1","0.5","293","2","293","2","","","","","","","","4","P 43 21 2","P 4nw 2abw","96","Tetrabromo bisphenol A","3,3',5,5'-Tetrabromo-4,4'-dihydroxy-diphenyl-dimethyl-methane","","- C15 H12 Br4 O2 -","- C15 H12 Br4 O2 -","- C60 H48 Br16 O8 -","4","0.5","OS1139","Eriksson, Johan; Eriksson, Lars","2,2',6,6'-Tetrachloro-4,4'-propane-2,2-diyldiphenol, 2,2',6-tribromo-4,4'-propane-2,2-diyldiphenol and 2,2',6,6'-tetrabromo-4,4'-propane-2,2-diyldiphenol","Acta Crystallographica Section C","2001","57","11","1308","1312","10.1107/S0108270101012112","","","0.71073","MoKα","","0.105","0.039","","","","0.06","","","","","","0.814","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00","" "2012343","9.303","0.0005","9.303","0.0005","11.0864","0.0008","90","","90","","120","","830.94","0.09","293","2","293","2","","","","","","","","3","R -3 c :H","-R 3 2""c","167","","Tetracalcium iridium hexaoxide","","- Ca4 Ir O6 -","- Ca4 Ir O6 -","- Ca24 Ir6 O36 -","6","0.166667","OS1140","Davis, Matthew J.; Smith, Mark D.; zur Loye, Hans-Conrad","Ca~4~IrO~6~, Ca~3~MgIrO~6~ and Ca~3~ZnIrO~6~","Acta Crystallographica Section C","2001","57","11","1234","1236","10.1107/S0108270101013282","","","0.71073","MoKα","","0.026","0.024","","","","0.061","","","","","","1.072","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00","" "2012344","9.2876","0.0004","9.2876","0.0004","11.02","0.0008","90","","90","","120","","823.23","0.08","293","2","293","2","","","","","","","","4","R -3 c :H","-R 3 2""c","167","","Tricalcium magnesium iridium hexaoxide","","- Ca3.34 Ir Mg0.66 O6 -","- Ca3.338 Ir Mg0.66 O6 -","- Ca20.028 Ir6 Mg3.96 O36 -","6","0.166667","OS1140","Davis, Matthew J.; Smith, Mark D.; zur Loye, Hans-Conrad","Ca~4~IrO~6~, Ca~3~MgIrO~6~ and Ca~3~ZnIrO~6~","Acta Crystallographica Section C","2001","57","11","1234","1236","10.1107/S0108270101013282","","","0.71073","MoKα","","0.016","0.015","","","","0.034","","","","","","1.094","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00","" "2012345","9.2641","0.0003","9.2641","0.0003","11.0298","0.0005","90","","90","","120","","819.79","0.05","293","2","293","2","","","","","","","","4","R -3 c :H","-R 3 2""c","167","","Tricalcium zinc iridium hexaoxide","","- Ca3.5 Ir O6 Zn0.5 -","- Ca3.5 Ir O6 Zn0.5 -","- Ca21 Ir6 O36 Zn3 -","6","0.166667","OS1140","Davis, Matthew J.; Smith, Mark D.; zur Loye, Hans-Conrad","Ca~4~IrO~6~, Ca~3~MgIrO~6~ and Ca~3~ZnIrO~6~","Acta Crystallographica Section C","2001","57","11","1234","1236","10.1107/S0108270101013282","","","0.71073","MoKα","","0.034","0.031","","","","0.077","","","","","","1.134","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00","" "2012346","8.391","0.002","16.866","0.003","11.791","0.002","90","","98.91","0.02","90","","1648.6","0.6","295","2","295","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","Poly{[bis(ethylenediamine)copper(II)] [potassium hexacyanocobalt(III)]}","","- C10 H16 Co Cu K N10 -","- C10 H16 Co Cu K N10 -","- C40 H64 Co4 Cu4 K4 N40 -","4","0.5","SK1474","Li, Baolong; Shen, Xiaoping; Zou, Jianzhong; Xu, Zheng; Yu, Kaibei","A three-dimensional porous framework complex, poly[[bis(ethylenediamine)copper(II)] [potassium hexacyanocobalt(III)]]","Acta Crystallographica Section C","2001","57","11","1242","1244","10.1107/S0108270101009490","","","0.71073","MoKα","","0.028","0.024","","","","0.062","","","","","","1.053","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00","" "2012347","8.3265","0.0007","25.364","0.002","7.0865","0.0006","90","","113.427","0.001","90","","1373.3","0.2","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","[Ag(2CNpy)(mu-2CNpy)]2(BF4)2","Bis(μ-2-cyanopyridine-N:N')bis[(2-cyanopyridine-N)silver(I)] bis(tetrafluoroborate)","","- C24 H16 Ag2 B2 F8 N8 -","- C24 H16 Ag2 B2 F8 N8 -","- C48 H32 Ag4 B4 F16 N16 -","2","0.5","SK1494","Blake, Alexander J.; Champness, Neil R.; Nicolson, James E. B.; Wilson, Claire","Bis(μ-2-cyanopyridine-N:N')bis[(2-cyanopyridine-N)silver(I)] bis(tetrafluoroborate): an anion-linked molecular ladder","Acta Crystallographica Section C","2001","57","11","1290","1291","10.1107/S0108270101013956","","","0.71073","MoKα","","0.0291","0.0266","","","","0.058","","","","","","1.298","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00","" "2012348","10.6639","0.0002","14.4016","0.0003","19.7744","0.0004","90","","105.27","0.0013","90","","2929.68","0.1","120","2","120","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Dibromo{N-[2-(diphenylphosphino)benzylidene]-2,6-diisopropylaniline- κ^2^N,P}nickel","","- C31 H32 Br2 N Ni P -","- C31 H32 Br2 N Ni P -","- C124 H128 Br8 N4 Ni4 P4 -","4","1","SK1498","Crossetti, Geraldo L.; Filgueiras, Carlos A. L.; Howie, R. Alan; Wardell, James L.; Ziglio, Claudio M.","Dibromo{N-[2-(diphenylphosphino)benzylidene]-2,6-diisopropylaniline-κ^2^N,P}nickel","Acta Crystallographica Section C","2001","57","11","1279","1281","10.1107/S0108270101013907","","","0.71073","MoKα","","0.0618","0.0363","","","","0.0826","","","","","","1.047","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00","" "2012349","10.4516","0.0001","11.3466","0.0001","12.5599","0.0001","90","","90","","90","","1489.48","0.02","160","1","160","1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","4-bromo-4-deoxysucrose","","- C12 H21 Br O10 -","- C12 H21 Br O10 -","- C48 H84 Br4 O40 -","4","1","SK1519","Linden, Anthony; Lee, C. Kuan; Muhammad Sofian, A. S.","Two halodeoxy sucrose analogues","Acta Crystallographica Section C","2001","57","11","1363","1366","10.1107/S0108270101017644","","","0.71073","MoKα","","0.0183","0.0173","","","","0.0424","","","","","","1.052","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00","" "2012350","7.6133","0.0001","9.4705","0.0001","23.2227","0.0002","90","","90","","90","","1674.4","0.03","160","1","160","1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","1',6'-dibromo-4-fluoro-4,1',6'-trideoxysucrose monohydrate","","- C12 H21 Br2 F O9 -","- C12 H21 Br2 F O9 -","- C48 H84 Br8 F4 O36 -","4","1","SK1519","Linden, Anthony; Lee, C. Kuan; Muhammad Sofian, A. S.","Two halodeoxy sucrose analogues","Acta Crystallographica Section C","2001","57","11","1363","1366","10.1107/S0108270101017644","","","0.71073","MoKα","","0.0275","0.0241","","","","0.0606","","","","","","1.07","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00","" "2012351","10.44","0.002","27.647","0.005","8.012","0.002","90","","90","","90","","2312.5","0.8","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","N^1^,N^1^-Diethyl-N^2^-(2,3,4,6-tetra-O-acetyl-β-D-glucopyranosyl)acetamidine","","- C20 H32 N2 O9 -","- C20 H32 N2 O9 -","- C80 H128 N8 O36 -","4","1","SX1111","Diánez, María Jesús; Estrada, María Dolores; López-Castro, Amparo; Pérez-Garrido, Simeón","N^1^,N^1^-Diethyl-N^2^-(2,3,4,6-tetra-O-acetyl-β-D-glucopyranosyl)acetamidine","Acta Crystallographica Section C","2001","57","11","1297","1298","10.1107/S0108270101011465","","","0.71069","MoKα","","0.103","0.069","","","0.182","","","","1.118","1.099","1.099","","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00","" "2012352","10.7631","0.0004","13.1751","0.0004","12.5623","0.0005","90","","96.887","0.002","90","","1768.54","0.11","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","HIV protease inhibitor KNI-272: iQoa-Mta-Apns-Thz-tBu","3-[3-benzyl-2-hydroxy-9-(isoquinolin-5-yloxy)-6-methylsulfanylmethyl-5,8-dioxo- 4,7-diazanonanoyl]-N-tert-butyl-1,3-thiazolane-4-carboxamide","","- C33 H42.61 N5 O6.81 S2 -","- C33 H42.606 N5 O6.803 S2 -","- C66 H85.212 N10 O13.606 S4 -","2","1","SX1119","Doi, Mitsunobu; Ishida, Toshimasa; Katsuya, Yoshio; Sasaki, Masahiro; Taniguchi, Taizo; Hasegawa, Hiroshi; Mimoto, Tsutomu; Kiso, Yoshiaki","KNI-272, a highly selective and potent peptidic HIV protease inhibitor","Acta Crystallographica Section C","2001","57","11","1333","1335","10.1107/S0108270101013701","","","0.836","synchrotron","","0.073","0.067","","","","0.191","","","","","","0.987","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00","" "2012353","14.238","0.004","11.053","0.005","14.426","0.005","90","","111.979","0.018","90","","2105.3","1.4","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","4',5-dihydroxy-3,3',8-trimethoxy-7-(3-methylbut-2-enyloxy)flavone","","- C23 H24 O8 -","- C23 H24 O8 -","- C92 H96 O32 -","4","1","TA1324","Smith, Graham; Bartley, John P.; Wang, Ertong; Bott, Raymond C.","Two crystal polymorphs of a flavonoid from Melicope ellyrana","Acta Crystallographica Section C","2001","57","11","1336","1337","10.1107/S0108270101013695","","","0.71069","MoKα","","0.1671","0.0483","","","","0.1795","","","","","","0.947","","","","has coordinates","201957","2020-10-21","18:00:00","" "2012354","12.291","0.005","13.075","0.005","7.099","0.003","93.85","0.05","104.33","0.04","111.52","0.03","1012.4","0.8","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","4',5-dihydroxy-3,3',8-trimethoxy-7-(3-methylbut-2-enyloxy)flavone","","- C23 H24 O8 -","- C23 H24 O8 -","- C46 H48 O16 -","2","1","TA1324","Smith, Graham; Bartley, John P.; Wang, Ertong; Bott, Raymond C.","Two crystal polymorphs of a flavonoid from Melicope ellyrana","Acta Crystallographica Section C","2001","57","11","1336","1337","10.1107/S0108270101013695","","","0.71069","MoKα","","0.1544","0.0554","","","","0.1987","","","","","","0.995","","","","has coordinates","201957","2020-10-21","18:00:00","" "2012355","6.8622","0.0002","10.8244","0.0001","12.3446","0.0003","90","","90","","90","","916.95","0.04","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","Cerbinal","Methyl 1-formyl-6-oxa-6H-indene-4-carboxylate","","- C11 H8 O4 -","- C11 H8 O4 -","- C44 H32 O16 -","4","1","TA1345","Laphookhieo, Surat; Karalai, Chatchanok; Chantrapromma, Suchada; Fun, Hoong-Kun; Usman, Anwar; Rat-a-pa, Yanisa; Chantrapromma, Kan","Atomic charges of cerbinal","Acta Crystallographica Section C","2001","57","11","1352","1353","10.1107/S0108270101014317","","","0.71073","MoKα","","0.0782","0.0561","","","","0.1446","","","","","","1.007","","","","has coordinates","201957","2020-10-21","18:00:00","" "2012356","12.359","0.002","18.443","0.003","16.984","0.002","90","","101.9","0.014","90","","3788.1","1","123","2","123","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","(diethyl ether-O)bis[2,6-diisopropyl-N-(trimethylsilyl)aniline-N]magnesium(II)","","- C34 H62 Mg N2 O Si2 -","- C34 H62 Mg N2 O Si2 -","- C136 H248 Mg4 N8 O4 Si8 -","4","1","TR1003","Kennedy, Alan R.; Mulvey, Robert E.; Schulte, J. Hilko","A monomeric three-coordinate magnesium bis(amide)","Acta Crystallographica Section C","2001","57","11","1288","1289","10.1107/S0108270101014408","","","0.71069","MoKα","","0.095","0.038","","","","0.116","","","","","","1","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00","" "2012357","31.385","0.002","9.129","0.001","16.84","0.001","90","","115.52","","90","","4354.1","0.6","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","pyrazolo[3,4-d]pyrimidin","1,1'-(1,3-propanediyl)bis(5-ethyl-6-methylthio-4,5-dihydro-1H- pyrazolo[3,4-d]pyrimidin-4-one)","","- C19 H24 N8 O2 S2 -","- C19 H24 N8 O2 S2 -","- C152 H192 N64 O16 S16 -","8","1","VJ1145","Avasthi, Kamlakar; Aswal, Sangeeta; Maulik, Prakas R.","A stacked pyrazolo[3,4-d]pyrimidine-based flexible molecule: the effect on stacking of an ethyl group in comparison with a methyl group","Acta Crystallographica Section C","2001","57","11","1324","1325","10.1107/S0108270101013518","","","0.71073","MoKα","","0.044","0.036","","","","0.097","","","","","","1.05","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00","" "2012358","13.2825","0.0009","14.9093","0.0011","8.9376","0.001","98.002","0.008","102.662","0.008","63.762","0.005","1547.2","0.2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","bis(triethanolamine)-κ^3^O,N,O';κ^4^O,N,O',O''-cadmium(II) 1,2-bensisothiazol-3(2H)-onate 1,1-dioxide","","- C26 H38 Cd N4 O12 S2 -","- C26 H38 Cd N4 O12 S2 -","- C52 H76 Cd2 N8 O24 S4 -","2","1","AV1088","Andac, Omer; Topcu, Yildiray; Yilmaz, Veysel T.; Guven, Kutalmis","Bis(triethanolamine)cadmium(II) and -mercury(II) saccharinates: seven-coordinate complexes containing both tri- and tetradentate triethanolamine ligands","Acta Crystallographica Section C","2001","57","12","1381","1384","10.1107/S0108270101015049","","","0.71069","MoKα","","0.069","0.039","","","0.102","0.115","","","","","","1.019","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00","" "2012359","12.588","0.002","15.934","0.003","7.9944","0.0014","91.791","0.014","91.343","0.014","72.965","0.013","1532.2","0.5","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","bis(triethanolamine)-κ^3^O,N,O';κ^4^O,N,O',O''-mercury(II) 1,2-bensisothiazol-3(2H)-onate 1,1-dioxide","","- C26 H38 Hg N4 O12 S2 -","- C26 H38 Hg N4 O12 S2 -","- C52 H76 Hg2 N8 O24 S4 -","2","1","AV1088","Andac, Omer; Topcu, Yildiray; Yilmaz, Veysel T.; Guven, Kutalmis","Bis(triethanolamine)cadmium(II) and -mercury(II) saccharinates: seven-coordinate complexes containing both tri- and tetradentate triethanolamine ligands","Acta Crystallographica Section C","2001","57","12","1381","1384","10.1107/S0108270101015049","","","0.71069","MoKα","","0.171","0.05","","","0.119","0.159","","","","","","0.991","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00","" "2012360","3.841","0.001","16.073","0.004","13.234","0.003","90","","91.15","0.02","90","","816.9","0.3","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","2-(1H-Tetrazol-1-yl)benzoic acid","","- C8 H6 N4 O2 -","- C8 H6 N4 O2 -","- C32 H24 N16 O8 -","4","1","AV1091","Lyakhov, Alexander S.; Gaponik, Pavel N.; Voitekhovich, Sergei V.; Ivashkevich, Ludmila S.; Kulak, Alexander A.; Ivashkevich, Oleg A.","2-(1H-Tetrazol-1-yl)benzoic acid","Acta Crystallographica Section C","2001","57","12","1436","1437","10.1107/S0108270101016006","","","0.71069","MoKα","","0.0474","0.0377","","","0.1029","0.1126","","","","","","1.044","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00","" "2012361","8.783","0.003","18.594","0.007","21.556","0.012","90","","94.05","0.04","90","","3512","3","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Bis(2,2':6',2''-Terpyridine-N,N',N'')-manganese(ii) tetrathionate, trihydrate.","","- C30 H28 Mn N6 O9 S4 -","- C30 H28 Mn N6 O9 S4 -","- C120 H112 Mn4 N24 O36 S16 -","4","1","BK1621","Freire, Eleonora; Baggio, Sergio; Garland, Maria Teresa; Baggio, Ricardo","Bis(2,2':6',2''-terpyridine-κ^3^N)manganese(II) tetrathionate trihydrate","Acta Crystallographica Section C","2001","57","12","1403","1404","10.1107/S0108270101016481","","","0.71073","MoKα","","0.116","0.053","","","0.102","0.124","","","","","","0.997","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00","" "2012362","7.5878","0.0007","4.1397","0.0004","6.0594","0.0006","90","","101.529","0.011","90","","186.49","0.03","293","","295","","","","","","","","","4","P 1 21/m 1","-P 2yb","11","bismuth cadmium oxide chloride","Bismuth cadmium dioxide chloride","","- Bi Cd Cl O2 -","- Bi Cd Cl O2 -","- Bi2 Cd2 Cl2 O4 -","2","0.5","BR1340","Kirik, Sergei D.; Yakovleva, Ekaterina G.; Shimanskii, Aleksandr F.; Kovalev, Yurii G.","CdBiO~2~Cl: synthesis and powder structure solution","Acta Crystallographica Section C","2001","57","12","1367","1368","10.1107/S0108270101014883","","","1.5418","CuKα","","","","","","","","","","1.43","","","","","","","has coordinates","176760","2020-10-21","18:00:00","" "2012363","21.104","0.002","14.486","0.002","18.962","0.002","90","","116.408","0.007","90","","5192","1.1","298","2","298","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","fac-Re(CO)~3~(dpknph)Cl.dmso","fac-Tricarbonylchloro(di-2-pyridylmethanone p-nitrophenylhydrazone)rhenium(I) dimethyl sulfoxide solvate","","- C22 H19 Cl N5 O6 Re S -","- C22 H19 Cl N5 O6 Re S -","- C176 H152 Cl8 N40 O48 Re8 S8 -","8","1","DA1194","Bakir, Mohammed","The optical sensor fac-tricarbonylchloro(di-2-pyridylmethanone p-nitrophenylhydrazone)rhenium(I) dimethyl sulfoxide solvate","Acta Crystallographica Section C","2001","57","12","1371","1373","10.1107/S0108270101013890","","","0.71073","MoKα","","0.0335","0.0266","","","0.0607","0.0641","","","","","","1.081","","","","has coordinates,has disorder,has Fobs","209447","2020-10-21","18:00:00","" "2012364","24","0.007","8.531","0.003","9.369","0.002","90","","90","","90","","1918.2","1","293","2","293","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","Aquabis(3,5-dimethyl-1H-pyrazole-N^2^)(malonato-O,O')copper(II) dihydrate","","- C13 H24 Cu N4 O7 -","- C13 H24 Cu N4 O7 -","- C52 H96 Cu4 N16 O28 -","4","1","DA1196","Xiong, Ya; Tong, Mingliang; An, Taicheng; Karlsson, Hans T.","Aquabis(3,5-dimethyl-1H-pyrazole-κN^2^)(malonato-κ^2^O,O')copper(II) dihydrate","Acta Crystallographica Section C","2001","57","12","1385","1387","10.1107/S0108270101015116","","","0.71073","MoKα","","0.111","0.059","","","0.134","0.157","","","","","","1.03","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00","" "2012365","14.164","0.002","12.034","0.002","27.648","0.003","90","","90","","90","","4712.6","1.1","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Bis(benzenethiolato)(2,9-dimethyl-1,10-phenanthroline)cadmium(II)","","- C26 H22 Cd N2 S2 -","- C26 H22 Cd N2 S2 -","- C208 H176 Cd8 N16 S16 -","8","1","DA1203","Wacholtz, William F.; Mague, Joel T.","Bis(benzenethiolato-S)(2,9-dimethyl-1,10-phenanthroline-N,N')cadmium(II)","Acta Crystallographica Section C","2001","57","12","1400","1402","10.1107/S0108270101015906","","","0.71073","MoKα","","0.1275","0.035","","","0.0839","0.1023","","","","","","1.017","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00","" "2012366","5.525","0.002","17.444","0.003","8.194","0.002","90","","107.1","0.02","90","","754.8","0.4","293","2","","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C16 H18 N4 -","- C16 H18 N4 -","- C32 H36 N8 -","2","0.5","DA1209","Bayse, Craig A.; Carpenter, Barry K.; Luck, Rudy L.","meso-1,2-Bis(methylazo)-1,2-diphenylethane","Acta Crystallographica Section C","2001","57","12","1429","1430","10.1107/S0108270101015918","","","0.71069","MoKα","","","0.056","","","","0.17","","","","","","1.012","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00","" "2012367","11.1238","0.0003","9.8718","0.0003","7.1988","0.0002","90","","119.071","0.002","90","","690.92","0.04","120","","120","","","","","","","","","4","C 1 c 1","C -2yc","9","","4-formylphenylboronic acid","","- C7 H7 B O3 -","- C7 H7 B O3 -","- C28 H28 B4 O12 -","4","1","DA1214","Fronczek, Frank R.; St. Luce, Nadia N.; Strongin, Robert M.","Space-group revision for 4-formylphenylboronic acid","Acta Crystallographica Section C","2001","57","12","1423","1425","10.1107/S0108270101015621","","","0.71073","MoKα","","0.043","0.038","","","0.099","0.104","","","","","","1.073","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00","" "2012368","19.967","0.002","7.5484","0.0009","9.1666","0.0013","90","","102.967","0.011","90","","1346.3","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","8,9-Dimethoxy-6,10b-dihydro-1-oxo-5H-thiazolo[2,3-a]isoquinolin-3-one","","- C13 H15 N O4 S -","- C13 H15 N O4 S -","- C52 H60 N4 O16 S4 -","4","1","","Gzella, Andrzej; Rozwadowska, Maria D.; Sulima, Agnieszka","Two dihydro-5H-thiazolinono[2,3-a]isoquinoline S-oxides","Acta Crystallographica, Section C","2001","57","12","1454","1456","10.1107/S0108270101016638","","","1.54178","CuKα","","0.0641","0.0499","","","0.1464","0.1583","","","","","","1.044","","","","has coordinates","201957","2020-10-21","18:00:00","" "2012370","11.0726","0.0006","20.509","0.001","13.9311","0.0008","90","","112.02","0.001","90","","2932.8","0.3","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","{N-[Dimethyl(η^5^-1,2,5,7-tetramethylindenyl)silyl]cyclobutylamido-κN}- (η^4^-1,4-diphenyl-1,3-butadiene)titanium(II)","","- C35 H41 N Si Ti -","- C35 H41 N Si Ti -","- C140 H164 N4 Si4 Ti4 -","4","1","FR1316","Abboud, Khalil A.; Nickias, Peter N.; Chen, Eugene Y.-X.","{N-[Dimethyl(η^5^-2,3,4,6-tetramethylindenyl)silyl]cyclobutylamido-κN}(η^4^-1,4-diphenyl-1,3-butadiene)titanium(II)","Acta Crystallographica Section C","2001","57","12","1408","1409","10.1107/S010827010101592X","","","0.71073","MoKα","","0.0937","0.0438","","","0.0905","0.1032","","","","","","0.955","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00","" "2012371","10.411","0.002","23.586","0.006","12.482","0.003","90","","107.71","0.02","90","","2919.7","1.2","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","meso-octamethylcalix[4]pyrrole dimethyl sulfoxide solvate","","- C30 H42 N4 O S -","- C30 H42 N4 O S -","- C120 H168 N16 O4 S4 -","4","1","FR1336","Lynch, Vincent M.; Gale, Philip A.; Sessler, Jonathan L.; Madeiros, David","Room-temperature monoclinic and low-temperature triclinic phase-transition structures of meso-octamethylcalix[4]pyrrole‒dimethyl sulfoxide (1/1)","Acta Crystallographica Section C","2001","57","12","1426","1428","10.1107/S0108270101015931","","","0.71073","MoKα","","0.2078","0.0707","","","0.1103","0.1522","","","","","","0.969","","","","has coordinates,has disorder","176760","2020-10-21","18:00:00","" "2012372","10.362","0.003","23.468","0.01","12.373","0.007","90.23","0.04","107.64","0.04","88.35","0.03","2866","2","198","2","298","2","","","","","","","","5","P -1","-P 1","2","","meso-octamethylcalix[4]pyrrole - dimethyl sulfoxied solvate","","- C30 H42 N4 O S -","- C30 H42 N4 O S -","- C120 H168 N16 O4 S4 -","4","2","FR1336","Lynch, Vincent M.; Gale, Philip A.; Sessler, Jonathan L.; Madeiros, David","Room-temperature monoclinic and low-temperature triclinic phase-transition structures of meso-octamethylcalix[4]pyrrole‒dimethyl sulfoxide (1/1)","Acta Crystallographica Section C","2001","57","12","1426","1428","10.1107/S0108270101015931","","","0.71073","MoKα","","0.1726","0.0808","","0.2122","","0.1548","","","1.028","","","1.106","","","","has coordinates,has disorder","176760","2020-10-21","18:00:00","" "2012373","8.566","0.002","13.611","0.003","12.633","0.003","90","","108.54","0.02","90","","1396.5","0.6","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Dichloro[1,5-bis(1-methyl-1H-tetrazol-5-yl-N)-3-oxopentane-O]copper(II)","","- C8 H14 Cl2 Cu N8 O -","- C8 H14 Cl2 Cu N8 O -","- C32 H56 Cl8 Cu4 N32 O4 -","4","1","FR1343","Lyakhov, Alexander S.; Gaponik, Pavel N.; Voitekhovich, Sergei V.; Ivashkevich, Dmitry O.; Pytleva, Dariya S.; Ivashkevich, Ludmila S.","[1,5-Bis(1-methyl-1H-tetrazol-5-yl-κN)-3-oxopentane-κO]dichlorocopper(II)","Acta Crystallographica Section C","2001","57","12","1374","1375","10.1107/S0108270101014640","","","0.71069","MoKα","","0.04","0.033","","","0.088","0.092","","","","","","1.06","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00","" "2012374","18.8435","0.0017","6.2038","0.0006","13.4129","0.0012","90","","105.534","0.002","90","","1510.7","0.2","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","catena-Poly[[aquachlorocopper(II)]-μ-pyrazine-2-carboxylato-O,N^1^:N^4^]","","- C5 H5 Cl Cu N2 O3 -","- C5 H5 Cl Cu N2 O3 -","- C40 H40 Cl8 Cu8 N16 O24 -","8","1","FR1345","Nordell, Karen J.; Kass, Dana S.; Smith, Mark D.","A new packing variant of catena-poly[[aquachlorocopper(II)]-μ-pyrazine-2-carboxylato-O,N:N']","Acta Crystallographica Section C","2001","57","12","1376","1377","10.1107/S0108270101014639","","","0.71073","MoKα","","0.029","0.025","","","0.062","0.063","","","","","","1.003","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00","" "2012375","13.478","0.002","14.3841","0.0018","21.381","0.002","97.144","0.01","97.854","0.01","103.405","0.011","3941.6","0.9","100","","100","","","","","","","","","4","P -1","-P 1","2","tetrabenzo-24-crown-8 tris(1,2-dichloroethane)","2,5,12,15,22,25,32,35-Octaoxopentacyclo[34.4.0.0^6,11^. 0^16,21^.0^26,31^]tetraconta-6,8,10,16,18,20,26,28,30,36,38,40-dodecaene tris(1,2-dichloroethane) solvate","","- C38 H44 Cl6 O8 -","- C38 H44 Cl6 O8 -","- C152 H176 Cl24 O32 -","4","2","FR1347","Bryan, Jeffrey C.; Levitskaia, Tatiana G.","Tetrabenzo-24-crown-8 tris(1,2-dichloroethane) solvate","Acta Crystallographica Section C","2001","57","12","1457","1459","10.1107/S0108270101014627","","","0.71073","MoKα","","0.078","0.044","","","0.107","0.12","","","","","","1.026","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00","" "2012376","5.429","0.003","12.005","0.007","14.57","0.008","87.05","0.02","88.96","0.02","79.39","0.02","932.1","0.9","260","2","260","2","","","","","","","","3","P -1","-P 1","2","(±)-3-Oxocyclohexanepropionic acid","(±)-3-(3-Oxocyclohexyl)propionic acid","","- C9 H14 O3 -","- C9 H14 O3 -","- C36 H56 O12 -","4","2","FR1348","Lalancette, Roger A.; Thompson, Hugh W.","(±)-3-(3-Oxocyclohexyl)propionic acid: dual conformational selection and hydrogen bonding in an ε-keto acid","Acta Crystallographica Section C","2001","57","12","1434","1435","10.1107/S0108270101015943","","","0.71073","MoKα","","0.109","0.063","","","0.149","0.175","","","","","","1.04","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00","" "2012377","8.416","0.0003","12.3127","0.0005","14.7039","0.0004","90","","90","","90","","1523.67","0.09","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","2,3,5,6,7,8-Hexahydro-6,8-methano-7,7,8a-trimethyl-3-(1-methyl-2- oxopropylidene)-5H-1,4-benzoxazin-2-one","","- C16 H21 N O3 -","- C16 H21 N O3 -","- C64 H84 N4 O12 -","4","1","GD1165","Rolland, Marc; Kassem, Tarek; Rolland, Valérie; Martinez, Jean","Full stereochemical understanding in a new (2R,3R,4R)-4-hydroxyisoleucine synthesis","Acta Crystallographica Section C","2001","57","12","1415","1417","10.1107/S0108270101014597","","","0.71073","MoKα","","0.041","0.038","","","0.098","0.1","","","","","","1.058","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00","" "2012378","10.2905","0.0003","11.8864","0.0005","12.8317","0.0005","90","","90","","90","","1569.54","0.1","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","2,3,5,6,7,8-Hexahydro-3-(2-hydroxy-1-methylpropyl)-6,8-methano-7,7,8a- trimethyl-5H-1,4-benzoxazin-2-one","","- C16 H25 N O3 -","- C16 H25 N O3 -","- C64 H100 N4 O12 -","4","1","GD1165","Rolland, Marc; Kassem, Tarek; Rolland, Valérie; Martinez, Jean","Full stereochemical understanding in a new (2R,3R,4R)-4-hydroxyisoleucine synthesis","Acta Crystallographica Section C","2001","57","12","1415","1417","10.1107/S0108270101014597","","","0.71073","MoKα","","0.041","0.038","","","0.098","0.1","","","","","","1.058","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00","" "2012379","14.977","0.002","19.832","0.007","11.326","0.002","90","","90","","90","","3364.1","1.4","173","1","173","1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","ethyl 2-deoxy-4,5,6,8-tetra-O-benzyl-α-D-galacto-3,7-pyranoso-3-octulosonate","","- C38 H42 O8 -","- C38 H42 O8 -","- C152 H168 O32 -","4","1","GG1083","Linden, Anthony; Li, Xianfeng; Lee, C. Kuan","Two ethyl 2-deoxy-α-D-hexo-3,7-pyranoso-3-octulosonate derivatives","Acta Crystallographica Section C","2001","57","12","1418","1420","10.1107/S0108270101014974","","","0.71069","MoKα","","0.075","0.042","","","0.093","0.103","","","","","","1.03","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00","" "2012380","9.3164","0.0015","13.038","0.002","9.313","0.0015","90","","106.224","0.012","90","","1086.2","0.3","173","1","173","1","","","","","","","","3","P 1 21 1","P 2yb","4","","ethyl 2-deoxy-4,5,6,8-tetra-O-acetyl-α-D-gluco-3,7-pyranoso-3-octulosonate","","- C18 H26 O12 -","- C18 H26 O12 -","- C36 H52 O24 -","2","1","GG1083","Linden, Anthony; Li, Xianfeng; Lee, C. Kuan","Two ethyl 2-deoxy-α-D-hexo-3,7-pyranoso-3-octulosonate derivatives","Acta Crystallographica Section C","2001","57","12","1418","1420","10.1107/S0108270101014974","","","0.71073","MoKα","","0.053","0.038","","","0.099","0.106","","","","","","1.028","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00","" "2012381","12.106","0.002","7.708","0.002","15.776","0.002","90","","93.997","0.01","90","","1468.5","0.5","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","4,4,6,6-Tetrachloro-2,2-(2,2-dimethylpropane-1,3-diyldioxy)- 1,3,5,2λ^5^,4λ^5^,6λ^5^-triazatriphosphorine","","- C5 H10 Cl4 N3 O2 P3 -","- C5 H10 Cl4 N3 O2 P3 -","- C20 H40 Cl16 N12 O8 P12 -","4","1","GG1084","Kumar, N. Satish; Kumara Swamy, K. C.","4,4,6,6-Tetrachloro-2,2-(2,2-dimethylpropane-1,3-diyldioxy)-1,3,5,2λ^5^,4λ^5^,6λ^5^-triazatriphosphorine","Acta Crystallographica Section C","2001","57","12","1421","1422","10.1107/S0108270101015359","","","0.71073","MoKα","","0.036","0.029","","","0.077","0.083","","","","","","1.071","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00","" "2012382","11.653","0.002","7.3533","0.0012","13.443","0.002","90","","106.19","0.012","90","","1106.2","0.3","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Catena-poly[[(acetonitrile-N)dichlorocopper(II)]-μ-2,5-dimethylpyrazine-N:N']","","- C8 H11 Cl2 Cu N3 -","- C8 H11 Cl2 Cu N3 -","- C32 H44 Cl8 Cu4 N12 -","4","1","JZ1473","Näther, Christian; Greve, Jan","catena-Poly[[(acetonitrile-N)dichlorocopper(II)]-μ-2,5-dimethylpyrazine-κ^2^N:N']","Acta Crystallographica Section C","2001","57","12","1388","1390","10.1107/S0108270101015384","","","0.71073","MoKα","","0.075","0.029","","","0.065","0.073","","","","","","0.996","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00","" "2012383","13.566","0.009","9.617","0.002","22.025","0.011","90","","101.73","0.04","90","","2813","2","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","4-ammonio-2,2,6,6-tétraméthylpipéridinium chromate dihydrate","","- C9 H26 Cr N2 O6 -","- C9 H26 Cr N2 O6 -","- C72 H208 Cr8 N16 O48 -","8","1","LN1120","Chebbi, Hammouda; Driss, Ahmed","4-Ammonio-2,2,6,6-tétraméthylpipéridinium chromate dihydrate","Acta Crystallographica Section C","2001","57","12","1369","1370","10.1107/S0108270101008447","","","0.71069","MoKα","","0.064","0.044","","","0.119","0.132","","","","","","1.045","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00","" "2012384","8.0395","0.0003","16.7881","0.0005","14.8438","0.0005","90","","96.954","0.001","90","","1988.7","0.12","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","3-[Benzoyl(4-methoxyphenyl)methylene]-2,3-dihydro-1H-indol-2-one","","- C25 H19 N O4 -","- C25 H19 N O4 -","- C100 H76 N4 O16 -","4","1","LN1121","Anwar Usman; Ibrahim Abdul Razak; Hoong-Kun Fun; Suchada Chantrapromma; Yan Zhang; Jian-Hua Xu","1-Acetyl-3-[benzoyl(4-methoxyphenyl)methylene]-2,3-dihydro-1H-indol-2-one","Acta Crystallographica Section C","2001","57","12","1438","1440","10.1107/S0108270101016304","","","0.71073","MoKα","","0.1123","0.0519","","","0.1133","0.1351","","","","","","0.914","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00","" "2012385","7.1796","0.0018","23.238","0.003","6.5358","0.0016","90","","113.069","0.018","90","","1003.2","0.4","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Poly[[aquacopper(I)-μ-bromo]-μ-(5-methylpyrazine-2-carboxylato)-N^4^:O,N^1^- [diaquacopper(II)]-μ-(5-methylpyrazine-2-carboxylato)-O,N^1^:N^4^- [aquacopper(I)]-μ-bromo]","","- C12 H18 Br2 Cu3 N4 O8 -","- C12 H18 Br2 Cu3 N4 O8 -","- C24 H36 Br4 Cu6 N8 O16 -","2","0.5","LN1122","Näther, Christian; Wriedt, Mario; Jeß, Inke","Poly[[aquacopper(I)-μ-bromo]-μ-(5-methylpyrazine-2-carboxylato)-κ^3^N^4^:O,N^1^-[diaquacopper(II)]-μ-(5-methylpyrazine-2-carboxylato)-κ^3^O,N^1^:N^4^-[aquacopper(I)-μ-bromo]]","Acta Crystallographica Section C","2001","57","12","1395","1397","10.1107/S0108270101016250","","","0.71073","MoKα","","0.0517","0.026","","","0.059","0.0637","","","","","","1.023","","","","has coordinates","176760","2020-10-21","18:00:00","" "2012386","7.449","0.001","8.941","0.003","11.984","0.002","90","","91.68","0.01","90","","797.8","0.3","296.2","","","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C4 H18 Cl4 N2 O2 Pd2 S2 -","- C4 H14 Cl4 N2 O2 Pd2 S2 -","- C8 H28 Cl8 N4 O4 Pd4 S4 -","2","0.5","OA1118","Miyashita, Yoshitaro; Arai, Satoshi; Yamada, Yasunori; Fujisawa, Kiyoshi; Okamoto, Ken-ichi","anti-Bis(μ-2-ammonioethanethiolato-κ^2^S:S)bis[dichloropalladium(II)] dihydrate","Acta Crystallographica Section C","2001","57","12","1393","1394","10.1107/S0108270101015736","","","0.7107","MoKα","","","0.0437","","","","0.1082","","","","","","0.969","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00","" "2012387","10.304","0.002","19.557","0.006","6.4387","0.0013","90","","90","","90","","1297.5","0.5","298","","298","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C11 H13 Cl N2 O5 -","- C11 H13 Cl N2 O5 -","- C44 H52 Cl4 N8 O20 -","4","1","OB1046","Ishida, Hiroyuki; Rahman, Bilkish; Kashino,Setsuo","Morpholinium 2-chloro-4-nitrobenzoate, 2-chloro-5-nitrobenzoate and 4-chloro-3-nitrobenzoate","Acta Crystallographica Section C","2001","57","12","1450","1453","10.1107/S0108270101016389","","","0.71073","MoKα","","0.14","0.053","","","0.062","0.075","","","","","","1.04","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00","" "2012388","18.68","0.006","10.498","0.003","13.125","0.003","90","","93.35","0.02","90","","2569.4","1.3","298","","298","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C11 H13 Cl N2 O5 -","- C11 H13 Cl N2 O5 -","- C88 H104 Cl8 N16 O40 -","8","1","OB1046","Ishida, Hiroyuki; Rahman, Bilkish; Kashino,Setsuo","Morpholinium 2-chloro-4-nitrobenzoate, 2-chloro-5-nitrobenzoate and 4-chloro-3-nitrobenzoate","Acta Crystallographica Section C","2001","57","12","1450","1453","10.1107/S0108270101016389","","","0.71073","MoKα","","0.111","0.046","","","0.101","0.121","","","","","","1","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00","" "2012389","19.76","0.02","10.085","0.007","13.639","0.005","90","","109.09","0.04","90","","2569","3","296","","296","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C11 H13 Cl N2 O5 -","- C11 H13 Cl N2 O5 -","- C88 H104 Cl8 N16 O40 -","8","1","OB1046","Ishida, Hiroyuki; Rahman, Bilkish; Kashino,Setsuo","Morpholinium 2-chloro-4-nitrobenzoate, 2-chloro-5-nitrobenzoate and 4-chloro-3-nitrobenzoate","Acta Crystallographica Section C","2001","57","12","1450","1453","10.1107/S0108270101016389","","","0.71073","MoKα","","0.098","0.047","","","0.098","0.116","","","","","","1.03","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00","" "2012390","6.4233","0.0009","9.0728","0.0018","20.265","0.003","90","","95.7","0.011","90","","1175.2","0.3","122","","122","0.5","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(2-Pyridylmethyl)ammonium pyridine-2-carboxylate","","- C12 H13 N3 O2 -","- C12 H13 N3 O2 -","- C48 H52 N12 O8 -","4","1","OS1143","Døssing, Anders; Skands, Martin C.; Madsen, Anders Østergaard","(2-Pyridylmethyl)ammonium pyridine-2-carboxylate: the product of oxidative degradation of bis(2-pyridylmethyl)amine","Acta Crystallographica Section C","2001","57","12","1460","1461","10.1107/S0108270101015426","","","1.5418","CuKα","","0.038","0.033","","","0.113","0.119","","","","","","1.003","","","","has coordinates","201957","2020-10-21","18:00:00","" "2012391","7.861","0.0005","6.598","0.0004","14.4339","0.0009","90","","94.915","0.001","90","","745.89","0.08","300","2","300","2","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","3,5,7-triaza-1-azoniatricyclo[3.3.1.1^3,7^]decane 2,4-dinitrophenolate monohydrate","","- C12 H18 N6 O6 -","- C12 H18 N6 O6 -","- C24 H36 N12 O12 -","2","0.5","SK1495","Anwar Usman; Suchada Chantrapromma; Hoong-Kun Fun","The 143 and 300K polymorphs of hexamethylenetetraminium 2,4-dinitrophenolate monohydrate","Acta Crystallographica Section C","2001","57","12","1443","1446","10.1107/S0108270101016742","","","0.71073","MoKα","","0.0743","0.0589","","","0.1374","0.1437","","","","","","0.948","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00","" "2012392","6.3877","0.0004","7.9017","0.0005","14.4042","0.0009","84.412","0.001","86.367","0.001","89.304","0.001","722.11","0.08","143","2","143","2","","","","","","","","4","P -1","-P 1","2","","Hexamethylenetetramine-2,4-dinitrophenol Hydrate","","- C12 H18 N6 O6 -","- C12 H18 N6 O6 -","- C24 H36 N12 O12 -","2","1","SK1495","Anwar Usman; Suchada Chantrapromma; Hoong-Kun Fun","The 143 and 300K polymorphs of hexamethylenetetraminium 2,4-dinitrophenolate monohydrate","Acta Crystallographica Section C","2001","57","12","1443","1446","10.1107/S0108270101016742","","","0.71073","MoKα","","0.1015","0.0865","","","0.1971","0.2059","","","","","","0.956","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00","" "2012393","6.446","0.001","10.457","0.002","12.363","0.002","104.28","0.03","92.16","0.03","103.81","0.03","780.1","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","melaminium sulfate dihydrate","Bis(2,4,6-triamino-1,3,5-triazine-1-ium) sulfate dihydrate","","- C6 H18 N12 O6 S -","- C6 H18 N12 O6 S -","- C12 H36 N24 O12 S2 -","2","1","SK1499","Janczak, Jan; Perpétuo, Genivaldo Julio","Bis(melaminium) sulfate dihydrate","Acta Crystallographica Section C","2001","57","12","1431","1433","10.1107/S0108270101016031","","","0.71073","MoKα","","0.1037","0.0337","","","0.0314","0.0384","","","","","","0.994","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00","" "2012394","8.0566","0.0016","17.754","0.004","13.083","0.003","90","","94.2","0.03","90","","1866.4","0.6","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","cis-dichlorobis(triethylarsine)platinum(II)","","- C12 H30 As2 Cl2 Pt -","- C12 H30 As2 Cl2 Pt -","- C48 H120 As8 Cl8 Pt4 -","4","1","","Otto, Stefanus; Muller, Alfred Johannes","cis-Dichlorobis(triethylarsine)platinum(II) and cis-dichlorobis(triethylphosphine)platinum(II)","Acta Crystallographica, Section C: Crystal Structure Communications","2001","57","12","1405","1407","10.1107/S0108270101016043","","","0.71073","MoKα","","0.0584","0.0343","","","0.0661","0.072","","","","","","0.93","","","","has coordinates","209639","2020-10-21","18:00:00","" "2012395","19.773","0.004","7.531","0.0015","13.726","0.003","90","","117.31","0.03","90","","1816.1","0.6","293","2","293","2","","","","","","","","5","C 1 c 1","C -2yc","9","","cis-dichlorobis(triethylphosphine)platinum(II)","","- C12 H30 Cl2 P2 Pt -","- C12 H30 Cl2 P2 Pt -","- C48 H120 Cl8 P8 Pt4 -","4","1","","Otto, Stefanus; Muller, Alfred Johannes","cis-Dichlorobis(triethylarsine)platinum(II) and cis-dichlorobis(triethylphosphine)platinum(II)","Acta Crystallographica, Section C: Crystal Structure Communications","2001","57","12","1405","1407","10.1107/S0108270101016043","","","0.71073","MoKα","","0.0363","0.0341","","","0.0906","0.0921","","","","","","1.02","","","","has coordinates","209639","2020-10-21","18:00:00","" "2012396","12.4326","0.001","9.5414","0.0007","17.1682","0.0008","90","","97.4","0.005","90","","2019.6","0.2","294","1","294","1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","1-Ferrocenylmethyl-2-(4-methoxyphenyl)-1H-benzimidazole","","- C25 H22 Fe N2 O -","- C25 H22 Fe N2 O -","- C100 H88 Fe4 N8 O4 -","4","1","SK1507","Gallagher, John F.; Hanlon, Keith; Howarth, Joshua","Intermolecular interactions in two (ferrocenylmethyl)benzimidazoles incorporating the 4-MeOC~6~H~4~ and 3,4-(MeO)~2~C~6~H~3~ groups: analysis of MeO—C—C distortions from ideal 120{^i̧rc} geometry","Acta Crystallographica Section C","2001","57","12","1410","1414","10.1107/S0108270101015591","","","0.71073","MoKα","","0.056","0.04","","","0.099","0.11","","","","","","1.04","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00","" "2012397","11.7089","0.001","13.7888","0.0012","13.2441","0.0011","90","","96.758","0.007","90","","2123.4","0.3","294","2","294","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","2-(3,4-dimethoxyphenyl)-1-ferrocenylmethyl-1H-benzimidazole","","- C26 H24 Fe N2 O2 -","- C26 H24 Fe N2 O2 -","- C104 H96 Fe4 N8 O8 -","4","1","SK1507","Gallagher, John F.; Hanlon, Keith; Howarth, Joshua","Intermolecular interactions in two (ferrocenylmethyl)benzimidazoles incorporating the 4-MeOC~6~H~4~ and 3,4-(MeO)~2~C~6~H~3~ groups: analysis of MeO—C—C distortions from ideal 120{^i̧rc} geometry","Acta Crystallographica Section C","2001","57","12","1410","1414","10.1107/S0108270101015591","","","0.71073","MoKα","","0.064","0.039","","","0.086","0.096","","","","","","1.01","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00","" "2012398","9.656","0.0002","10.1195","0.0001","12.3126","0.0002","110.704","0.001","92.659","0.001","115.856","0.001","983.58","0.03","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","Diethyl 1-(p-fluorophenyl)-5-oxo-3-(2-thienyl)pyrrolidine-2,2-dicarboxylate","","- C20 H20 F N O5 S -","- C20 H20 F N O5 S -","- C40 H40 F2 N2 O10 S2 -","2","1","SK1510","Usman, Anwar; Razak, Ibrahim Abdul; Chantrapromma, Suchada; Fun, Hoong-Kun; Ray, Jayanta Kumar; Das Adhikari, Sujit; Datta, Bishnu Pada","Diethyl 1-(p-fluorophenyl)-5-oxo-3-(2-thienyl)pyrrolidine-2,2-dicarboxylate","Acta Crystallographica Section C","2001","57","12","1441","1442","10.1107/S010827010101681X","","","0.71073","MoKα","","0.0778","0.0586","","","0.1491","0.1608","","","","","","0.945","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00","" "2012399","12.44","0.003","12.44","","14.851","0.007","90","","90","","90","","2298.2","1.2","293","2","293","2","","","","","","","","6","P 42/n :2","-P 4bc","86","","","","- C24 H50 Cl4 Cu4 N12 O20.6 -","- C24 H48 Cl4 Cu4 N12 O20.6 -","- C48 H96 Cl8 Cu8 N24 O41.2 -","2","0.25","TA1319","Tian-Huey Lu; Yung-Jan Lin; Hung Luh; Fen-Ling Liao; Chung-Sun Chung","A linear cyclic oximate-bridged tetracopper(II) complex","Acta Crystallographica Section C","2001","57","12","1398","1399","10.1107/S0108270101016456","","","0.71073","MoKα","","0.1249","0.066","","","0.1653","0.1834","","","","","","1.087","","","","has coordinates","176760","2020-10-21","18:00:00","" "2012400","8.1634","0.0009","8.572","0.001","10.171","0.001","87.079","0.005","75.833","0.004","75.233","0.006","667.24","0.13","296","","","","","","","","","","","6","P -1","-P 1","2","","","","- C10 H8 Co N2 O6 V2 -","- C10 H8 Co N2 O6 V2 -","- C20 H16 Co2 N4 O12 V4 -","2","1","TA1336","Yang, Lan; Naruke, Haruo; Yamase, Toshihiro","A three-dimensional inorganic/organic hybrid vanadium oxide complex with pentacoordinate Co^II^, [CoV~2~O~6~(4,4'-bipy)]","Acta Crystallographica Section C","2001","57","12","1378","1380","10.1107/S0108270101014822","","","0.7107","MoKα","","","0.044","","","","0.174","","","","","","1.924","","","","has coordinates","176760","2020-10-21","18:00:00","" "2012401","8.671","0.0005","16.4284","0.0008","7.8287","0.0007","90","","92.542","0.006","90","","1114.11","0.13","296","2","296","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C14 H11 N O2 -","- C14 H11 N O2 -","- C56 H44 N4 O8 -","4","1","TA1338","Sekine, Akiko; Uekusa, Hidehiro; Ohashi, Yuji; Yoshimura, Kimihiro; Yagi, Mikio; Higuchi, Jiro","4-Nitro-9,10-dihydrophenanthrene and a polymorphic form of 4-nitrophenanthrene","Acta Crystallographica Section C","2001","57","12","1462","1464","10.1107/S0108270101017474","","","1.54178","CuKα","","0.0465","0.0355","","0.1004","0.0928","","","","1.093","1.114","1.114","","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00","" "2012402","15.934","0.007","12.471","0.005","11.436","0.005","90","","110.48","0.05","90","","2128.8","1.7","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H9 N O2 -","- C14 H9 N O2 -","- C112 H72 N8 O16 -","8","2","TA1338","Sekine, Akiko; Uekusa, Hidehiro; Ohashi, Yuji; Yoshimura, Kimihiro; Yagi, Mikio; Higuchi, Jiro","4-Nitro-9,10-dihydrophenanthrene and a polymorphic form of 4-nitrophenanthrene","Acta Crystallographica Section C","2001","57","12","1462","1464","10.1107/S0108270101017474","","","0.71073","MoKα","","0.0976","0.0539","","0.1634","0.1395","","","","1.038","1.117","1.117","","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00","" "2012403","12.802","0.007","7.0425","0.001","14.97","0.01","90","","107.44","0.03","90","","1287.6","1.1","291","","291","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C23 H36 N2 O11 -","- C23 H36 N2 O11 -","- C46 H72 N4 O22 -","2","1","TR1000","Puliti, Raffaella; Mattia, Carlo A.; De Fazio, Alessia; Ghiara, Maria R.; Mazzarella, Lelio","Cinchoninium L-tartrate tetrahydrate","Acta Crystallographica Section C","2001","57","12","1447","1449","10.1107/S0108270101016365","","","1.5418","CuKα","","0.049","0.046","","","","0.054","","","","","","0.99","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00","" "2012404","10.268","0.004","9.529","0.003","15.315","0.005","90","","101.023","0.006","90","","1470.8","0.9","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","1,3-Dichloro-1,1-dimethyl-3,3-diisopropyl distannoxane","","- C16 H40 Cl4 O2 Sn4 -","- C16 H40 Cl4 O2 Sn4 -","- C32 H80 Cl8 O4 Sn8 -","2","0.5","VJ1147","Lu, Yan; Leng, Xuebing; Wang, Honggen; Xie, Qinglan; Li, Jing","1,3-Dichloro-1,1-dimethyl-3,3-diisopropyldistannoxane","Acta Crystallographica Section C","2001","57","12","1391","1392","10.1107/S0108270101015645","","","0.71073","MoKα","","0.0494","0.0287","","","0.0616","0.0678","","","","","","0.921","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00","" "2018875","18.97","","18.97","","12.414","","90","","90","","120","","3868.81","","","","","","","","","","","","","4","P 62 2 2","P 62 2 (0 0 4)","180","","K5 (B W12 O40) (H2 O)16","","- B K4.99 O50.01 W12 -","- B K4.99 O50.01 W12 -","- B3 K14.97 O150.03 W36 -","3","0.25","","Craig, D.C.; Allen, C.C.; Fletcher, H.; Burns, R.C.","Pentapotassium dodecatungstoborate(III) hexadecahydrate","Acta Crystallographica C (39,1983-)","2001","57","","505","507","","","","","","","","","","","","","","","","","","","","","","has coordinates","176432","2020-10-21","18:00:00","" "2019342","25.393","0.0004","34.7193","0.0003","25.7201","0.0004","90","","90","","90","","22675.5","0.5","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","bq123","BQ123: cyclo(-D-Trp-D-Asp^-^-Pro-D-Val-Leu-).Na^+^ an endothelin-1 inhibitor","","- C35.22 H56.26 N6 Na2 O10.41 -","- C35.2225 H56.26 N6 Na O10.4075 -","- C563.56 H900.16 N96 Na16 O166.52 -","16","4","","Doi, Mitsunobu; Asano, Akiko; Ishida, Toshimasa; Katsuya, Yoshio; Mezaki, Yoshihiro; Sasaki, Masahiro; Terashima, Akira; Taniguchi, Taizo; Hasegawa, Hiroshi; Shiono, Masaaki","Caged and clustered structures of endothelin inhibitor BQ123, cyclo(-D-Trp-D-Asp−-Pro-D-Val-Leu-)χdotNa+, forming five and six coordination bonds between sodium ions and peptides","Acta Crystallographica Section D Biological Crystallography","2001","57","5","628","","10.1107/S0907444901002797","","","0.834","synchrotron","","0.0577","0.0576","","","0.1642","0.1642","","","","","","1.072","","","","has coordinates","283803","2023-05-16","08:05:52","" "2103546","10.7972","0.0013","8.8272","0.0011","11.9248","0.0014","90","","110.794","0.002","90","","1062.5","0.2","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","[Co(trien)(L-ile)](ClO4)2","(L-isoleucinato)-(triethylenetetramine)-cobalt(III) diperchlorate","","- C12 H30 Cl2 Co N5 O10 -","- C12 H30 Cl2 Co N5 O10 -","- C24 H60 Cl4 Co2 N10 O20 -","2","1","BM0032","Cai, Jiwen; Hu, Xiaopeng; Feng, Xiaolong; Ji, Liangnian; Bernal, Ivan","Structures of three cis-β~1~ and three cis-β~2~ isomers of [Co(trien)(aminoacidato)]^2+^ complexes","Acta Crystallographica Section B","2001","57","1","45","53","10.1107/S0108768100013896","","","0.71073","MoKα","","0.0538","0.0496","","","","0.1266","","","","","","1.054","","","","has coordinates,has disorder","176768","2020-10-21","18:00:00","" "2103547","8.9877","0.0007","8.8829","0.0007","12.8157","0.001","90","","101.577","0.001","90","","1002.35","0.14","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","[Co(trien)(L-val)](ClO4)2","(L-valinato)-(triethylenetetramine)-cobalt(III) diperchlorate","","- C11 H28 Cl2 Co N5 O10 -","- C11 H28 Cl2 Co N5 O10 -","- C22 H56 Cl4 Co2 N10 O20 -","2","1","BM0032","Cai, Jiwen; Hu, Xiaopeng; Feng, Xiaolong; Ji, Liangnian; Bernal, Ivan","Structures of three cis-β~1~ and three cis-β~2~ isomers of [Co(trien)(aminoacidato)]^2+^ complexes","Acta Crystallographica Section B","2001","57","1","45","53","10.1107/S0108768100013896","","","0.71073","MoKα","","0.0463","0.0446","","","","0.123","","","","","","1.069","","","","has coordinates","176768","2020-10-21","18:00:00","" "2103548","9.4009","0.0005","13.3659","0.0008","13.6588","0.0008","90","","90","","90","","1716.25","0.17","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","[Co(trien)(L-pyro)](ClO4)","(L-pyroglutamicacidato)-(triethylenetetramine)-cobalt(III) perchlorate","","- C11 H23 Cl Co N5 O7 -","- C11 H23 Cl Co N5 O7 -","- C44 H92 Cl4 Co4 N20 O28 -","4","1","BM0032","Cai, Jiwen; Hu, Xiaopeng; Feng, Xiaolong; Ji, Liangnian; Bernal, Ivan","Structures of three cis-β~1~ and three cis-β~2~ isomers of [Co(trien)(aminoacidato)]^2+^ complexes","Acta Crystallographica Section B","2001","57","1","45","53","10.1107/S0108768100013896","","","0.71073","MoKα","","0.041","0.0366","","","","0.0943","","","","","","1.053","","","","has coordinates","176768","2020-10-21","18:00:00","" "2103549","10.053","0.002","11.54","0.002","18.664","0.004","90","","90","","90","","2165.2","0.7","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","[Co(trien)(L-ile)]I2.H2O","(L-isoleucinato)-(triethylenetetramine)-cobalt(III) diiodide monohydrate","","- C12 H32 Co I2 N5 O3 -","- C12 H32 Co I2 N5 O3 -","- C48 H128 Co4 I8 N20 O12 -","4","1","BM0032","Cai, Jiwen; Hu, Xiaopeng; Feng, Xiaolong; Ji, Liangnian; Bernal, Ivan","Structures of three cis-β~1~ and three cis-β~2~ isomers of [Co(trien)(aminoacidato)]^2+^ complexes","Acta Crystallographica Section B","2001","57","1","45","53","10.1107/S0108768100013896","","","0.71073","MoKα","","0.0383","0.0318","","","","0.0776","","","","","","1.022","","","","has coordinates","189124","2020-10-21","18:00:00","" "2103550","11.5333","0.0011","13.3726","0.0014","15.0622","0.0015","90","","90","","90","","2323","0.4","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","[Co(trien)(L-ile)](ClO4)2(H2O)2","(L-isoleucinato)-(triethylenetetramine)-cobalt(III) diperchlorate dihydrate","","- C12 H34 Cl2 Co N5 O12 -","- C12 H34 Cl2 Co N5 O12 -","- C48 H136 Cl8 Co4 N20 O48 -","4","1","BM0032","Cai, Jiwen; Hu, Xiaopeng; Feng, Xiaolong; Ji, Liangnian; Bernal, Ivan","Structures of three cis-β~1~ and three cis-β~2~ isomers of [Co(trien)(aminoacidato)]^2+^ complexes","Acta Crystallographica Section B","2001","57","1","45","53","10.1107/S0108768100013896","","","0.71073","MoKα","","0.0664","0.0412","","","","0.0854","","","","","","0.896","","","","has coordinates","211413","2020-10-21","18:00:00","" "2103551","8.7716","0.0008","12.6294","0.0015","21.413","0.004","90","","90","","90","","2372.1","0.6","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","[Co(trien)(L-leu)](ClO4)2(H2O)2","(L-leucinato)-(triethylenetetramine)-cobalt(III) diperchlorate dihydrate","","- C12 H34 Cl2 Co N5 O12 -","- C12 H34 Cl2 Co N5 O12 -","- C48 H136 Cl8 Co4 N20 O48 -","4","1","BM0032","Cai, Jiwen; Hu, Xiaopeng; Feng, Xiaolong; Ji, Liangnian; Bernal, Ivan","Structures of three cis-β~1~ and three cis-β~2~ isomers of [Co(trien)(aminoacidato)]^2+^ complexes","Acta Crystallographica Section B","2001","57","1","45","53","10.1107/S0108768100013896","","","0.71073","MoKα","","0.0451","0.0359","","","","0.1","","","","","","0.999","","","","has coordinates","189124","2020-10-21","18:00:00","" "2103552","17.509","0.003","7.619","0.004","6.253","0.003","90","","107.5","0.3","90","","795.5","1.4","200","","200","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- H5 N O5 -","- H5 N O5 -","- H40 N8 O40 -","8","2","GS0002","Lebrun, N.; Mahe, F.; Lamiot, J.; Foulon, M.; Petit, J. C.; Prevost, D.","Kinetic behaviour investigations and crystal structure of nitric acid dihydrate","Acta Crystallographica Section B","2001","57","1","27","35","10.1107/S0108768100014506","","","0.71069","MoKa","","0.0455","0.0324","","0.0949","","0.092","","","1.343","","","1.434","","","","has coordinates","176435","2020-10-21","18:00:00","" "2103553","8.117","0.001","8.5598","0.0007","23.786","0.003","90","","98.19","0.05","90","","1635.8","0.4","293","","293","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C14 H19 Cl O8 -","- C14 H19 Cl O8 -","- C56 H76 Cl4 O32 -","4","1","JZ0010","Simons, J.; Thomas, H. G.; Hall, S. R.; Raabe, G.","Synthesis and structure of, and bonding in some derivatives of 2,6,9,10-tetraoxatricyclo[3.3.1.1^3,8^]decane","Acta Crystallographica Section B","2001","57","1","63","71","10.1107/S0108768100013331","","","1.5418","CuKα","","0.058","0.058","","0.091","","0.091","","","1.031","","","1.031","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00","" "2103554","10.858","0.003","14.117","0.0008","11.519","0.004","90","","104.508","0.01","90","","1709.4","0.8","293","","293","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C15 H22 O9 -","- C15 H22 O9 -","- C60 H88 O36 -","4","1","JZ0010","Simons, J.; Thomas, H. G.; Hall, S. R.; Raabe, G.","Synthesis and structure of, and bonding in some derivatives of 2,6,9,10-tetraoxatricyclo[3.3.1.1^3,8^]decane","Acta Crystallographica Section B","2001","57","1","63","71","10.1107/S0108768100013331","","","1.54179","CuKα","","0.049","0.049","","0.064","","0.064","","","1.002","","","1.002","","","","has coordinates,has Fobs","176768","2020-10-21","18:00:00","" "2103555","11.498","0.003","8.4175","0.0008","15.632","0.004","90","","111.47","0.01","90","","1408","0.5","293","","293","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C13 H20 O7 -","- C13 H20 O7 -","- C52 H80 O28 -","4","1","JZ0010","Simons, J.; Thomas, H. G.; Hall, S. R.; Raabe, G.","Synthesis and structure of, and bonding in some derivatives of 2,6,9,10-tetraoxatricyclo[3.3.1.1^3,8^]decane","Acta Crystallographica Section B","2001","57","1","63","71","10.1107/S0108768100013331","","","0.71069","MoKα","","0.063","0.063","","0.064","","0.064","","","1.001","","","1.001","","","","has coordinates,has Fobs","176768","2020-10-21","18:00:00","" "2103556","8.629","0.006","11.047","0.007","14.573","0.004","90","","91.66","0.01","90","","1388.6","1.4","293","","293","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C13 H20 O7 -","- C13 H20 O7 -","- C52 H80 O28 -","4","1","JZ0010","Simons, J.; Thomas, H. G.; Hall, S. R.; Raabe, G.","Synthesis and structure of, and bonding in some derivatives of 2,6,9,10-tetraoxatricyclo[3.3.1.1^3,8^]decane","Acta Crystallographica Section B","2001","57","1","63","71","10.1107/S0108768100013331","","","1.54179","CuKα","","0.047","0.047","","0.063","","0.063","","","1","","","1","","","","has coordinates,has Fobs","176768","2020-10-21","18:00:00","" "2103557","8.07","0.002","8.753","0.002","11.084","0.003","77.03","0.02","72.27","0.02","73.14","0.02","705.7","0.3","293","","293","","","","","","","","","3","P -1","-P 1","2","","","","- C14 H22 O6 -","- C14 H22 O6 -","- C28 H44 O12 -","2","1","JZ0010","Simons, J.; Thomas, H. G.; Hall, S. R.; Raabe, G.","Synthesis and structure of, and bonding in some derivatives of 2,6,9,10-tetraoxatricyclo[3.3.1.1^3,8^]decane","Acta Crystallographica Section B","2001","57","1","63","71","10.1107/S0108768100013331","","","1.54179","CuKα","","0.072","0.072","","0.075","","0.075","","","1.001","","","1.001","","","","has coordinates","176768","2020-10-21","18:00:00","" "2103558","10.88","0.03","17.39","0.03","9.04","0.02","90","","118.8","0.2","90","","1499","7","14","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Mnac","manganese acetate tetrahydrate","","- C4 H6 D8 Mn O8 -","- C4 H6 D5.10933 Mn0.833333 O8 -","- C24 H36 D30.656 Mn5 O48 -","6","1.5","LC0023","Nicolaï, Béatrice; Kearley, Gordon J.; Cousson, Alain; Paulus, Werner; Fillaux, François; Gentner, Fabien; Schröder, Ludger; Watkin, David","Structure of manganese diacetate tetrahydrate and low-temperature methyl-group dynamics","Acta Crystallographica Section B","2001","57","1","36","44","10.1107/S0108768100014695","","neutron","0.8308","Neutron","","","0.0407","","","0.0383","","","","","1.0678","1.0678","","","","","has coordinates","176435","2020-10-21","18:00:00","" "2103559","11.1","0.03","17.51","0.03","9.09","0.02","90","","118.6","0.2","90","","1551","7","300","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Mnac","manganese acetate tetrahydrate","","- C4 H6 D8 Mn O8 -","- C4 D4.95333 Mn0.833333 O8 -","- C24 D29.72 Mn5 O48 -","6","1.5","LC0023","Nicolaï, Béatrice; Kearley, Gordon J.; Cousson, Alain; Paulus, Werner; Fillaux, François; Gentner, Fabien; Schröder, Ludger; Watkin, David","Structure of manganese diacetate tetrahydrate and low-temperature methyl-group dynamics","Acta Crystallographica Section B","2001","57","1","36","44","10.1107/S0108768100014695","","neutron","0.8308","Neutron","","","0.0657","","","0.0456","","","","","1.0655","1.0655","","","","","has coordinates","176435","2020-10-21","18:00:00","" "2103560","7.3914","0.0006","9.3343","0.0007","9.359","0.0006","90","","107.291","0.004","90","","616.53","0.08","150","1","150","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Piperazine-ethane-1,2-diphosphonic acid (1/1)","","- C6 H18 N2 O6 P2 -","- C6 H18 N2 O6 P2 -","- C12 H36 N4 O12 P4 -","2","0.5","NA0111","Wheatley, Paul S.; Lough, Alan J.; Ferguson, George; Burchell, Colin J.; Glidewell, Christopher","Ethane-1,2-diphosphonic acid as a building block in supramolecular chemistry; a pillared-layer framework and framework-encapsulated cations","Acta Crystallographica Section B","2001","57","1","95","102","10.1107/S0108768100014841","","","0.71073","MoKα","","0.1056","0.0591","","","","0.1231","","","","","","1.038","","","","has coordinates,has Fobs","176768","2020-10-21","18:00:00","" "2103561","6.1218","0.0002","20.6215","0.0007","18.1831","0.0007","90","","99.942","0.002","90","","2260.98","0.14","120","1","120","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","4,4'-trimethylenedipiperidine-ethane-1,2-diphosphonic acid-water (1/1/2.8).","","- C15 H39.6 N2 O8.8 P2 -","- C15 H38.902 N2 O8.794 P2 -","- C60 H155.608 N8 O35.176 P8 -","4","1","NA0111","Wheatley, Paul S.; Lough, Alan J.; Ferguson, George; Burchell, Colin J.; Glidewell, Christopher","Ethane-1,2-diphosphonic acid as a building block in supramolecular chemistry; a pillared-layer framework and framework-encapsulated cations","Acta Crystallographica Section B","2001","57","1","95","102","10.1107/S0108768100014841","","","0.71073","MoKα","","0.086","0.0506","","","","0.1139","","","","","","1.022","","","","has coordinates,has Fobs","176768","2020-10-21","18:00:00","" "2103562","7.5775","0.0013","4.8971","0.0013","12.5686","0.0014","90","","94.195","0.012","90","","465.14","0.16","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C6 H15 Cl N2 O -","- C6 H15 Cl N2 O -","- C12 H30 Cl2 N4 O2 -","2","1","OA0030","In, Yasuko; Fujii, Mayumi; Sasada, Yasuhiro; Ishida, Toshimasa","Structural studies on C-amidated amino acids and peptides: structures of hydrochloride salts of C-amidated Ile, Val, Thr, Ser, Met, Trp, Gln and Arg, and comparison with their C-unamidated counterparts","Acta Crystallographica Section B","2001","57","1","72","81","10.1107/S0108768100013975","","","1.5418","CuKα","","0.0754","0.0688","","","","0.1872","","","","","","1.659","","","","has coordinates,has Fobs","201972","2020-10-21","18:00:00","" "2103563","5.3377","0.0008","7.4572","0.0009","9.899","0.001","90","","91.73","0.01","90","","393.84","0.09","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C5 H13 Cl N2 O -","- C5 H13 Cl N2 O -","- C10 H26 Cl2 N4 O2 -","2","1","OA0030","In, Yasuko; Fujii, Mayumi; Sasada, Yasuhiro; Ishida, Toshimasa","Structural studies on C-amidated amino acids and peptides: structures of hydrochloride salts of C-amidated Ile, Val, Thr, Ser, Met, Trp, Gln and Arg, and comparison with their C-unamidated counterparts","Acta Crystallographica Section B","2001","57","1","72","81","10.1107/S0108768100013975","","","1.5418","CuKα","","0.0379","0.0369","","","","0.0967","","","","","","0.747","","","","has coordinates,has Fobs","201972","2020-10-21","18:00:00","" "2103564","10.1624","0.0015","10.5673","0.0017","6.749","0.003","90","","90","","90","","724.8","0.4","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C4 H11 Cl N2 O2 -","- C4 H11 Cl N2 O2 -","- C16 H44 Cl4 N8 O8 -","4","1","OA0030","In, Yasuko; Fujii, Mayumi; Sasada, Yasuhiro; Ishida, Toshimasa","Structural studies on C-amidated amino acids and peptides: structures of hydrochloride salts of C-amidated Ile, Val, Thr, Ser, Met, Trp, Gln and Arg, and comparison with their C-unamidated counterparts","Acta Crystallographica Section B","2001","57","1","72","81","10.1107/S0108768100013975","","","1.5418","CuKα","","0.0471","0.0471","","","","0.121","","","","","","1.098","","","","has coordinates,has Fobs","201972","2020-10-21","18:00:00","" "2103565","7.562","0.002","4.9986","0.0018","8.519","0.003","90","","90.76","0.03","90","","321.98","0.18","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C3 H9 Cl N2 O2 -","- C3 H9 Cl N2 O2 -","- C6 H18 Cl2 N4 O4 -","2","1","OA0030","In, Yasuko; Fujii, Mayumi; Sasada, Yasuhiro; Ishida, Toshimasa","Structural studies on C-amidated amino acids and peptides: structures of hydrochloride salts of C-amidated Ile, Val, Thr, Ser, Met, Trp, Gln and Arg, and comparison with their C-unamidated counterparts","Acta Crystallographica Section B","2001","57","1","72","81","10.1107/S0108768100013975","","","1.5418","CuKα","","0.0514","0.0499","","","","0.1619","","","","","","1.582","","","","has coordinates,has Fobs","201972","2020-10-21","18:00:00","" "2103566","7.591","0.003","5.029","0.003","11.786","0.004","90","","96.49","0.03","90","","447","0.4","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C5 H13 Cl N2 O S -","- C5 H13 Cl N2 O S -","- C10 H26 Cl2 N4 O2 S2 -","2","1","OA0030","In, Yasuko; Fujii, Mayumi; Sasada, Yasuhiro; Ishida, Toshimasa","Structural studies on C-amidated amino acids and peptides: structures of hydrochloride salts of C-amidated Ile, Val, Thr, Ser, Met, Trp, Gln and Arg, and comparison with their C-unamidated counterparts","Acta Crystallographica Section B","2001","57","1","72","81","10.1107/S0108768100013975","","","1.5418","CuKα","","0.0637","0.0592","","","","0.1634","","","","","","1.439","","","","has coordinates,has Fobs","201972","2020-10-21","18:00:00","" "2103567","7.6394","0.0011","5.2786","0.0013","14.5967","0.0014","90","","100.047","0.01","90","","579.59","0.18","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C11 H14 Cl N3 O -","- C11 H14 Cl N3 O -","- C22 H28 Cl2 N6 O2 -","2","1","OA0030","In, Yasuko; Fujii, Mayumi; Sasada, Yasuhiro; Ishida, Toshimasa","Structural studies on C-amidated amino acids and peptides: structures of hydrochloride salts of C-amidated Ile, Val, Thr, Ser, Met, Trp, Gln and Arg, and comparison with their C-unamidated counterparts","Acta Crystallographica Section B","2001","57","1","72","81","10.1107/S0108768100013975","","","1.5418","CuKα","","0.0307","0.03","","","","0.0945","","","","","","0.913","","","","has coordinates,has Fobs","201972","2020-10-21","18:00:00","" "2103568","7.536","0.003","32.487","0.003","5.277","0.004","90","","90","","90","","1291.9","1.1","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C6 H19 Cl2 N5 O2 -","- C6 H19 Cl2 N5 O2 -","- C24 H76 Cl8 N20 O8 -","4","1","OA0030","In, Yasuko; Fujii, Mayumi; Sasada, Yasuhiro; Ishida, Toshimasa","Structural studies on C-amidated amino acids and peptides: structures of hydrochloride salts of C-amidated Ile, Val, Thr, Ser, Met, Trp, Gln and Arg, and comparison with their C-unamidated counterparts","Acta Crystallographica Section B","2001","57","1","72","81","10.1107/S0108768100013975","","","1.5418","CuKα","","0.0563","0.055","","","","0.1724","","","","","","1.64","","","","has coordinates,has Fobs","201972","2020-10-21","18:00:00","" "2103569","7.741","0.002","4.8907","0.0013","10.8159","0.001","90","","94.18","0.013","90","","408.39","0.16","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C5 H12 Cl N3 O2 -","- C5 H12 Cl N3 O2 -","- C10 H24 Cl2 N6 O4 -","2","1","OA0030","In, Yasuko; Fujii, Mayumi; Sasada, Yasuhiro; Ishida, Toshimasa","Structural studies on C-amidated amino acids and peptides: structures of hydrochloride salts of C-amidated Ile, Val, Thr, Ser, Met, Trp, Gln and Arg, and comparison with their C-unamidated counterparts","Acta Crystallographica Section B","2001","57","1","72","81","10.1107/S0108768100013975","","","1.5418","CuKα","","0.0426","0.0425","","","","0.1368","","","","","","1.387","","","","has coordinates,has Fobs","201972","2020-10-21","18:00:00","" "2103570","9.441","0.002","16.583","0.002","7.184","0.003","90","","90","","90","","1124.7","0.5","296.2","","296.2","","","","","","","","","4","I b a m","-I 2 2c","72","","2,3,7,8-tetrahydro-benzo[1,2-b:4,5-b']bis[1,4]dithiin-5,10-dione","","- C10 H8 O2 S4 -","- C10 H8 O2 S4 -","- C40 H32 O8 S16 -","4","0.25","OA0031","Matsumoto, Shinya; Mizuguchi, Jin","Structures of tetrathiabenzoquinone derivatives and the order‒disorder phase transition","Acta Crystallographica Section B","2001","57","1","82","87","10.1107/S0108768100014087","","","0.7107","MoKα","","0.0293","0.0293","","0.0501","","0.0501","","","1","","","1","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00","" "2103571","9.401","0.004","16.515","0.003","7.053","0.004","90","","90","","90","","1095","0.8","223.2","","223.2","","","","","","","","","4","P c c n","-P 2ab 2ac","56","","2,3,7,8-tetrahydro-benzo[1,2-b:4,5-b']bis[1,4]dithiin-5,10-dione","","- C10 H8 O2 S4 -","- C10 H8 O2 S4 -","- C40 H32 O8 S16 -","4","0.5","OA0031","Matsumoto, Shinya; Mizuguchi, Jin","Structures of tetrathiabenzoquinone derivatives and the order‒disorder phase transition","Acta Crystallographica Section B","2001","57","1","82","87","10.1107/S0108768100014087","","","1.5418","CuKα","","0.0733","0.0733","","0.1165","","0.1041","","","1.381","","","1.491","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00","" "2103572","9.758","0.002","16.846","0.002","7.981","0.002","90","","90","","90","","1311.9","0.5","296.2","","296.2","","","","","","","","","4","P c c n","-P 2ab 2ac","56","","3,4,9,10-tetrahydro-2H,8H-benzo[1,2-b:4,5-b']bis[1,4] dithiepin-6,12-dione","","- C12 H12 O2 S4 -","- C12 H12 O2 S4 -","- C48 H48 O8 S16 -","4","0.5","OA0031","Matsumoto, Shinya; Mizuguchi, Jin","Structures of tetrathiabenzoquinone derivatives and the order‒disorder phase transition","Acta Crystallographica Section B","2001","57","1","82","87","10.1107/S0108768100014087","","","0.7107","MoKα","","0.0377","0.0377","","0.0724","","0.0659","","","1.051","","","1.051","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00","" "2103573","5.6784","0.0007","11.3204","0.0015","14.1087","0.0019","102.441","0.011","97.544","0.01","97.447","0.011","866.2","0.2","290","2","290","2","","","","","","","","5","P -1","-P 1","2","","benzoylphenylhydrazonophenylsulfonylmethane","","- C20 H16 N2 O3 S -","- C20 H16 N2 O3 S -","- C40 H32 N4 O6 S2 -","2","1","OS0056","Wolf, W. M.","X-ray investigations of sulfur-containing fungicides. II. Intramolecular forces governing the conformation of four novel α-phenylazo- and α-phenylhydrazono-β-ketosulfones","Acta Crystallographica Section B","2001","57","1","54","62","10.1107/S0108768100013197","","","0.71073","MoKα","","0.0526","0.0362","","","","0.0973","","","","","","1.03","","","","has coordinates,has Fobs","201972","2020-10-21","18:00:00","" "2103574","14.8351","0.0007","6.0456","0.0005","21.0161","0.0012","90","","98.613","0.006","90","","1863.6","0.2","292","2","292","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","benzoyl(4-nitrophenylhydrazono)phenylsulfonylmethane","","- C20 H15 N3 O5 S -","- C20 H15 N3 O5 S -","- C80 H60 N12 O20 S4 -","4","1","OS0056","Wolf, W. M.","X-ray investigations of sulfur-containing fungicides. II. Intramolecular forces governing the conformation of four novel α-phenylazo- and α-phenylhydrazono-β-ketosulfones","Acta Crystallographica Section B","2001","57","1","54","62","10.1107/S0108768100013197","","","1.54178","CuKα","","0.0611","0.0488","","","","0.1459","","","","","","0.932","","","","has coordinates,has Fobs","201972","2020-10-21","18:00:00","" "2103575","13.285","0.003","16.577","0.003","11.421","0.002","90","","114.8","0.03","90","","2283.2","0.9","291","2","291","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","benzoylphenylphenylazophenylsulfonylmethane","","- C26 H20 N2 O3 S -","- C26 H20 N2 O3 S -","- C104 H80 N8 O12 S4 -","4","1","OS0056","Wolf, W. M.","X-ray investigations of sulfur-containing fungicides. II. Intramolecular forces governing the conformation of four novel α-phenylazo- and α-phenylhydrazono-β-ketosulfones","Acta Crystallographica Section B","2001","57","1","54","62","10.1107/S0108768100013197","","","0.71069","MoKα","","0.0712","0.0482","","","","0.1371","","","","","","1.028","","","","has coordinates,has Fobs","176768","2020-10-21","18:00:00","" "2103576","14.155","0.002","9.542","0.001","18.822","0.001","90","","109.82","0.009","90","","2391.6","0.5","291","2","291","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","benzoyl(3-chlorophenylazo)phenyl(4-tolylsulfonyl)methane","","- C27 H21 Cl N2 O3 S -","- C27 H21 Cl N2 O3 S -","- C108 H84 Cl4 N8 O12 S4 -","4","1","OS0056","Wolf, W. M.","X-ray investigations of sulfur-containing fungicides. II. Intramolecular forces governing the conformation of four novel α-phenylazo- and α-phenylhydrazono-β-ketosulfones","Acta Crystallographica Section B","2001","57","1","54","62","10.1107/S0108768100013197","","","0.71073","MoKα","","0.0677","0.0411","","","","0.1102","","","","","","0.968","","","","has coordinates,has Fobs","176768","2020-10-21","18:00:00","" "2103577","10.13792","0.00006","10.13792","0.00006","11.71279","0.00015","90","","90","","120","","1042.53","0.016","298","","298","","200000","","","","","","","3","P -3 1 c","-P 3 2c","163","","Zirconium molybdate","","- Mo2 O8 Zr -","- Mo2 O8 Zr -","- Mo12 O48 Zr6 -","6","0.5","SN0004","Krogh Andersen, Anne Marie; Carlson, Stefan","High-pressure structures of α- and δ-ZrMo~2~O~8~","Acta Crystallographica Section B","2001","57","1","20","26","10.1107/S0108768100013215","","","0.42496","synchrotron","","","","","","","","","","0.92","","","","","","","has coordinates","176435","2020-10-21","18:00:00","" "2103578","10.14778","0.00009","10.14778","0.00009","11.678","0.0002","90","","90","","120","","1041.46","0.02","298","","298","","320000","","","","","","","3","P -3 1 c","-P 3 2c","163","","Zirconium molybdate","","- Mo2 O8 Zr -","- Mo2 O8 Zr -","- Mo12 O48 Zr6 -","6","0.5","SN0004","Krogh Andersen, Anne Marie; Carlson, Stefan","High-pressure structures of α- and δ-ZrMo~2~O~8~","Acta Crystallographica Section B","2001","57","1","20","26","10.1107/S0108768100013215","","","0.42496","synchrotron","","","","","","","","","","1.14","","","","","","","has coordinates","176435","2020-10-21","18:00:00","" "2103579","10.13896","0.00008","10.13896","0.00008","11.60753","0.00019","90","","90","","120","","1033.37","0.02","298","","298","","420000","","","","","","","3","P -3 1 c","-P 3 2c","163","","Zirconium molybdate","","- Mo2 O8 Zr -","- Mo2 O8 Zr -","- Mo12 O48 Zr6 -","6","0.5","SN0004","Krogh Andersen, Anne Marie; Carlson, Stefan","High-pressure structures of α- and δ-ZrMo~2~O~8~","Acta Crystallographica Section B","2001","57","1","20","26","10.1107/S0108768100013215","","","0.42496","synchrotron","","","","","","","","","","1.41","","","","","","","has coordinates","176435","2020-10-21","18:00:00","" "2103580","10.14226","0.00012","10.14226","0.00012","11.5334","0.0003","90","","90","","120","","1027.44","0.03","298","","298","","560000","","","","","","","3","P -3 1 c","-P 3 2c","163","","Zirconium molybdate","","- Mo2 O8 Zr -","- Mo2 O8 Zr -","- Mo12 O48 Zr6 -","6","0.5","SN0004","Krogh Andersen, Anne Marie; Carlson, Stefan","High-pressure structures of α- and δ-ZrMo~2~O~8~","Acta Crystallographica Section B","2001","57","1","20","26","10.1107/S0108768100013215","","","0.42496","synchrotron","","","","","","","","","","1.59","","","","","","","has coordinates","176435","2020-10-21","18:00:00","" "2103581","10.13168","0.00011","10.13168","0.00011","11.479","0.0003","90","","90","","120","","1020.46","0.03","298","","298","","630000","","","","","","","3","P -3 1 c","-P 3 2c","163","","Zirconium molybdate","","- Mo2 O8 Zr -","- Mo2 O8 Zr -","- Mo12 O48 Zr6 -","6","0.5","SN0004","Krogh Andersen, Anne Marie; Carlson, Stefan","High-pressure structures of α- and δ-ZrMo~2~O~8~","Acta Crystallographica Section B","2001","57","1","20","26","10.1107/S0108768100013215","","","0.42496","synchrotron","","","","","","","","","","1.48","","","","","","","has coordinates","176435","2020-10-21","18:00:00","" "2103582","10.1375","0.00011","10.1375","0.00011","11.4395","0.0003","90","","90","","120","","1018.12","0.03","298","","298","","720000","","","","","","","3","P -3 1 c","-P 3 2c","163","","Zirconium molybdate","","- Mo2 O8 Zr -","- Mo2 O8 Zr -","- Mo12 O48 Zr6 -","6","0.5","SN0004","Krogh Andersen, Anne Marie; Carlson, Stefan","High-pressure structures of α- and δ-ZrMo~2~O~8~","Acta Crystallographica Section B","2001","57","1","20","26","10.1107/S0108768100013215","","","0.42496","synchrotron","","","","","","","","","","1.49","","","","","","","has coordinates","176435","2020-10-21","18:00:00","" "2103583","10.13183","0.0001","10.13183","0.0001","11.3877","0.0003","90","","90","","120","","1012.38","0.03","298","","298","","800000","","","","","","","3","P -3 1 c","-P 3 2c","163","","Zirconium molybdate","","- Mo2 O8 Zr -","- Mo2 O8 Zr -","- Mo12 O48 Zr6 -","6","0.5","SN0004","Krogh Andersen, Anne Marie; Carlson, Stefan","High-pressure structures of α- and δ-ZrMo~2~O~8~","Acta Crystallographica Section B","2001","57","1","20","26","10.1107/S0108768100013215","","","0.42496","synchrotron","","","","","","","","","","1.32","","","","","","","has coordinates","176435","2020-10-21","18:00:00","" "2103584","10.1264","0.0001","10.1264","0.0001","11.3252","0.0002","90","","90","","120","","1005.74","0.02","298","","298","","900000","","","","","","","3","P -3 1 c","-P 3 2c","163","","Zirconium molybdate","","- Mo2 O8 Zr -","- Mo2 O8 Zr -","- Mo12 O48 Zr6 -","6","0.5","SN0004","Krogh Andersen, Anne Marie; Carlson, Stefan","High-pressure structures of α- and δ-ZrMo~2~O~8~","Acta Crystallographica Section B","2001","57","1","20","26","10.1107/S0108768100013215","","","0.42496","synchrotron","","","","","","","","","","1.27","","","","","","","has coordinates","176435","2020-10-21","18:00:00","" "2103585","9.8821","0.0003","5.9699","0.0002","5.3888","0.0002","90","","92.818","0.003","90","","317.529","0.019","298","","298","","1180000","","","","","","","3","C 1 2/m 1","-C 2y","12","","Zirconium molybdate","","- Mo2 O8 Zr -","- Mo2 O8 Zr -","- Mo4 O16 Zr2 -","2","0.25","SN0004","Krogh Andersen, Anne Marie; Carlson, Stefan","High-pressure structures of α- and δ-ZrMo~2~O~8~","Acta Crystallographica Section B","2001","57","1","20","26","10.1107/S0108768100013215","","","0.42496","synchrotron","","","","","","","","","","2.04","","","","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00","" "2103586","9.8358","0.0003","5.98562","0.00018","5.32344","0.00019","90","","93.004","0.002","90","","312.978","0.017","298","","298","","1480000","","","","","","","3","C 1 2/m 1","-C 2y","12","","Zirconium molybdate","","- Mo2 O8 Zr -","- Mo2 O8 Zr -","- Mo4 O16 Zr2 -","2","0.25","SN0004","Krogh Andersen, Anne Marie; Carlson, Stefan","High-pressure structures of α- and δ-ZrMo~2~O~8~","Acta Crystallographica Section B","2001","57","1","20","26","10.1107/S0108768100013215","","","0.42496","synchrotron","","","","","","","","","","1.85","","","","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00","" "2103587","9.8256","0.0003","5.9898","0.00018","5.31146","0.00019","90","","93.039","0.002","90","","312.158","0.017","298","","298","","1530000","","","","","","","3","C 1 2/m 1","-C 2y","12","","Zirconium molybdate","","- Mo2 O8 Zr -","- Mo2 O8 Zr -","- Mo4 O16 Zr2 -","2","0.25","SN0004","Krogh Andersen, Anne Marie; Carlson, Stefan","High-pressure structures of α- and δ-ZrMo~2~O~8~","Acta Crystallographica Section B","2001","57","1","20","26","10.1107/S0108768100013215","","","0.42496","synchrotron","","","","","","","","","","1.78","","","","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00","" "2103588","9.7966","0.0003","5.98422","0.00017","5.28547","0.00018","90","","93.069","0.002","90","","309.416","0.017","298","","298","","1640000","","","","","","","3","C 1 2/m 1","-C 2y","12","","Zirconium molybdate","","- Mo2 O8 Zr -","- Mo2 O8 Zr -","- Mo4 O16 Zr2 -","2","0.25","SN0004","Krogh Andersen, Anne Marie; Carlson, Stefan","High-pressure structures of α- and δ-ZrMo~2~O~8~","Acta Crystallographica Section B","2001","57","1","20","26","10.1107/S0108768100013215","","","0.42496","synchrotron","","","","","","","","","","1.69","","","","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00","" "2103589","9.7834","0.0003","5.99225","0.00017","5.26578","0.00018","90","","93.116","0.002","90","","308.248","0.017","298","","298","","1790000","","","","","","","3","C 1 2/m 1","-C 2y","12","","Zirconium molybdate","","- Mo2 O8 Zr -","- Mo2 O8 Zr -","- Mo4 O16 Zr2 -","2","0.25","SN0004","Krogh Andersen, Anne Marie; Carlson, Stefan","High-pressure structures of α- and δ-ZrMo~2~O~8~","Acta Crystallographica Section B","2001","57","1","20","26","10.1107/S0108768100013215","","","0.42496","synchrotron","","","","","","","","","","1.69","","","","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00","" "2103590","9.7643","0.0003","5.99021","0.00018","5.24841","0.00019","90","","93.14","0.002","90","","306.52","0.017","298","","298","","1870000","","","","","","","3","C 1 2/m 1","-C 2y","12","","Zirconium molybdate","","- Mo2 O8 Zr -","- Mo2 O8 Zr -","- Mo4 O16 Zr2 -","2","0.25","SN0004","Krogh Andersen, Anne Marie; Carlson, Stefan","High-pressure structures of α- and δ-ZrMo~2~O~8~","Acta Crystallographica Section B","2001","57","1","20","26","10.1107/S0108768100013215","","","0.42496","synchrotron","","","","","","","","","","1.65","","","","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00","" "2103591","5.906","0.001","10.845","0.003","12.154","0.003","90","","90","","90","","778.5","0.3","100","1","100","1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","Methyl-beta-D-arabinofuranoside","Methyl-beta-D-arabinofuranoside","","- C6 H12 O5 -","- C6 H12 O5 -","- C24 H48 O20 -","4","1","AN0575","Evdokimov, Artem; Gilboa, A. Joseph; Koetzle, Thomas F.; Klooster, Wim T.; Schultz, Arthur J.; Mason, Sax A.; Albinati, Alberto; Frolow, Felix","Structures of furanosides: geometrical analysis of low-temperature X-ray and neutron crystal structures of five crystalline methyl pentofuranosides","Acta Crystallographica Section B","2001","57","2","213","220","10.1107/S010876810001661X","","","0.7107","MoKα","","0.0288","0.0273","","","","0.0764","","","","","","0.997","","","","has coordinates","201972","2020-10-21","18:00:00","" "2103592","5.901","0.001","10.791","0.002","12.151","0.002","90","","90","","90","","773.7","0.2","20","0.1","20","0.1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","Methyl-beta-D-arabinofuranoside","Methyl-beta-D-arabinofuranoside","","- C6 H12 O5 -","- C6 H12 O5 -","- C24 H48 O20 -","4","1","AN0575","Evdokimov, Artem; Gilboa, A. Joseph; Koetzle, Thomas F.; Klooster, Wim T.; Schultz, Arthur J.; Mason, Sax A.; Albinati, Alberto; Frolow, Felix","Structures of furanosides: geometrical analysis of low-temperature X-ray and neutron crystal structures of five crystalline methyl pentofuranosides","Acta Crystallographica Section B","2001","57","2","213","220","10.1107/S010876810001661X","","neutron","","neutron","","0.129","0.1","","","","0.117","","","","","","1.096","","","","has coordinates","201972","2020-10-21","18:00:00","" "2103593","6.2238","0.0002","8.1389","0.0002","7.3637","0.0002","90","","101.146","0.0017","90","","365.971","0.018","20","0.1","20","0.1","","","","","","","","3","P 1 21 1","P 2yb","4","Methyl-alpha xylofuranoside","Methyl-alpha xylofuranoside","","- C6 H12 O5 -","- C6 H12 O5 -","- C12 H24 O10 -","2","1","AN0575","Evdokimov, Artem; Gilboa, A. Joseph; Koetzle, Thomas F.; Klooster, Wim T.; Schultz, Arthur J.; Mason, Sax A.; Albinati, Alberto; Frolow, Felix","Structures of furanosides: geometrical analysis of low-temperature X-ray and neutron crystal structures of five crystalline methyl pentofuranosides","Acta Crystallographica Section B","2001","57","2","213","220","10.1107/S010876810001661X","","neutron","0.95284","neutron","","0.0408","0.0399","","","","0.1024","","","","","","1.108","","","","has coordinates","201972","2020-10-21","18:00:00","" "2103594","10.332","0.003","15.446","0.002","4.614","0.001","90","","90","","90","","736.3","0.3","20","0.1","20","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","Methyl alpha-D lyxofuranoside","Methyl alpha-D lyxofuranoside","","- C6 H9.783 D2.217 O5 -","- C6 H9.783 D2.217 O5 -","- C24 H39.132 D8.868 O20 -","4","1","AN0575","Evdokimov, Artem; Gilboa, A. Joseph; Koetzle, Thomas F.; Klooster, Wim T.; Schultz, Arthur J.; Mason, Sax A.; Albinati, Alberto; Frolow, Felix","Structures of furanosides: geometrical analysis of low-temperature X-ray and neutron crystal structures of five crystalline methyl pentofuranosides","Acta Crystallographica Section B","2001","57","2","213","220","10.1107/S010876810001661X","","neutron","0.95284","neutron","","0.0449","0.0415","","","","0.0853","","","","","","1.228","","","","has coordinates","176768","2020-10-21","18:00:00","" "2103595","14.1773","0.0007","7.7437","0.0004","24.0161","0.0012","90","","101.205","0.001","90","","2586.3","0.2","306","2","306","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Bis-(4-tolyl) sulfone","","- C14 H14 O2 S -","- C14 H14 O2 S -","- C112 H112 O16 S8 -","8","2","BM0036","Glidewell, Christopher; Harrison, William T. A.; Low, John N.; Sime, Jamie G.; Wardell, James L.","Patterns of soft C—H···O hydrogen bonding in diaryl sulfones","Acta Crystallographica Section B","2001","57","2","190","200","10.1107/S0108768100015494","","","0.71073","MoKα","","0.0764","0.0399","","","","0.1009","","","","","","0.928","","","","has coordinates,has Fobs","176768","2020-10-21","18:00:00","" "2103596","8.3374","0.0006","14.9785","0.0008","10.9064","0.0006","90","","98.241","0.003","90","","1347.95","0.14","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","2,5,4'-Trimethyldiphenyl sulfone","","- C15 H16 O2 S -","- C15 H16 O2 S -","- C60 H64 O8 S4 -","4","1","BM0036","Glidewell, Christopher; Harrison, William T. A.; Low, John N.; Sime, Jamie G.; Wardell, James L.","Patterns of soft C—H···O hydrogen bonding in diaryl sulfones","Acta Crystallographica Section B","2001","57","2","190","200","10.1107/S0108768100015494","","","0.71073","MoKα","","0.0786","0.0466","","","","0.1173","","","","","","1.044","","","","has coordinates,has Fobs","201972","2020-10-21","18:00:00","" "2103597","13.239","0.003","7.4521","0.0015","11.737","0.002","90","","93.17","0.03","90","","1156.2","0.4","307","2","307","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","4-Chlorodiphenyl sulfone","","- C12 H9 Cl O2 S -","- C12 H9 Cl O2 S -","- C48 H36 Cl4 O8 S4 -","4","1","BM0036","Glidewell, Christopher; Harrison, William T. A.; Low, John N.; Sime, Jamie G.; Wardell, James L.","Patterns of soft C—H···O hydrogen bonding in diaryl sulfones","Acta Crystallographica Section B","2001","57","2","190","200","10.1107/S0108768100015494","","","0.71073","MoKα","","0.0532","0.0386","","","","0.1076","","","","","","1.041","","","","has coordinates,has Fobs","201972","2020-10-21","18:00:00","" "2103598","12.9682","0.0014","7.5293","0.0012","14.4627","0.0017","90","","110.625","0.007","90","","1321.6","0.3","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","3,4-Dimethyl-4'-chlorodiphenyl sulfone","","- C14 H13 Cl O2 S -","- C14 H13 Cl O2 S -","- C56 H52 Cl4 O8 S4 -","4","1","BM0036","Glidewell, Christopher; Harrison, William T. A.; Low, John N.; Sime, Jamie G.; Wardell, James L.","Patterns of soft C—H···O hydrogen bonding in diaryl sulfones","Acta Crystallographica Section B","2001","57","2","190","200","10.1107/S0108768100015494","","","0.71073","MoKα","","0.1338","0.0591","","","","0.1575","","","","","","0.93","","","","has coordinates,has Fobs","201972","2020-10-21","18:00:00","" "2103599","7.8879","0.0003","10.9788","0.0004","15.2489","0.0004","90","","103.525","0.002","90","","1283.93","0.08","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","2,5-Dimethyldiphenyl sulfone","","- C14 H14 O2 S -","- C14 H14 O2 S -","- C56 H56 O8 S4 -","4","1","BM0036","Glidewell, Christopher; Harrison, William T. A.; Low, John N.; Sime, Jamie G.; Wardell, James L.","Patterns of soft C—H···O hydrogen bonding in diaryl sulfones","Acta Crystallographica Section B","2001","57","2","190","200","10.1107/S0108768100015494","","","0.71073","MoKα","","0.08","0.047","","","","0.1224","","","","","","1.044","","","","has coordinates,has Fobs","201972","2020-10-21","18:00:00","" "2103600","6.5891","0.0004","9.0653","0.0005","7.1459","0.0004","90","","97.975","0.002","90","","422.71","0.04","85","1","85","1","","","","","","","","3","P 1 21/n 1","-P 2yn","14","potassium dinitramide","","","- K N3 O4 -","- K N3 O4 -","- K4 N12 O16 -","4","1","BR0101","Hardie, Michaele J.; Martin, Anthony; Pinkerton, A. Alan; Zhurova, Elizabeth A.","Anisotropic thermal expansion of potassium dinitramide: a variable-temperature crystallographic study","Acta Crystallographica Section B","2001","57","2","113","118","10.1107/S0108768100018887","","","0.71073","MoKα","","0.0399","0.0311","","0.0749","0.0717","","","","1.023","1.053","1.053","","","","","has coordinates,has Fobs","176768","2020-10-21","18:00:00","" "2103601","6.5918","0.0004","9.0778","0.0005","7.154","0.0004","90","","97.946","0.002","90","","423.98","0.04","100","1","100","1","","","","","","","","3","P 1 21/n 1","-P 2yn","14","potassium dinitramide","","","- K N3 O4 -","- K N3 O4 -","- K4 N12 O16 -","4","1","BR0101","Hardie, Michaele J.; Martin, Anthony; Pinkerton, A. Alan; Zhurova, Elizabeth A.","Anisotropic thermal expansion of potassium dinitramide: a variable-temperature crystallographic study","Acta Crystallographica Section B","2001","57","2","113","118","10.1107/S0108768100018887","","","0.71073","MoKα","","0.0361","0.0294","","0.0683","0.0664","","","","0.996","1.036","1.036","","","","","has coordinates,has Fobs","176768","2020-10-21","18:00:00","" "2103602","6.601","0.0003","9.1253","0.0005","7.1657","0.0004","90","","97.89","0.001","90","","427.55","0.04","150","1","150","1","","","","","","","","3","P 1 21/n 1","-P 2yn","14","potassium dinitramide","","","- K N3 O4 -","- K N3 O4 -","- K4 N12 O16 -","4","1","BR0101","Hardie, Michaele J.; Martin, Anthony; Pinkerton, A. Alan; Zhurova, Elizabeth A.","Anisotropic thermal expansion of potassium dinitramide: a variable-temperature crystallographic study","Acta Crystallographica Section B","2001","57","2","113","118","10.1107/S0108768100018887","","","0.71073","MoKα","","0.0356","0.0302","","0.0717","0.0697","","","","1.039","1.084","1.084","","","","","has coordinates,has Fobs","176768","2020-10-21","18:00:00","" "2103603","6.6029","0.0004","9.1694","0.0005","7.1731","0.0004","90","","97.805","0.001","90","","430.27","0.04","200","1","200","1","","","","","","","","3","P 1 21/n 1","-P 2yn","14","potassium dinitramide","","","- K N3 O4 -","- K N3 O4 -","- K4 N12 O16 -","4","1","BR0101","Hardie, Michaele J.; Martin, Anthony; Pinkerton, A. Alan; Zhurova, Elizabeth A.","Anisotropic thermal expansion of potassium dinitramide: a variable-temperature crystallographic study","Acta Crystallographica Section B","2001","57","2","113","118","10.1107/S0108768100018887","","","0.71073","MoKα","","0.0372","0.0315","","0.0773","0.075","","","","1.004","1.058","1.058","","","","","has coordinates,has Fobs","176768","2020-10-21","18:00:00","" "2103604","6.6114","0.0001","9.2299","0.0002","7.1878","0.0002","90","","97.639","0.001","90","","434.725","0.017","250","1","250","1","","","","","","","","3","P 1 21/n 1","-P 2yn","14","potassium dinitramide","","","- K N3 O4 -","- K N3 O4 -","- K4 N12 O16 -","4","1","BR0101","Hardie, Michaele J.; Martin, Anthony; Pinkerton, A. Alan; Zhurova, Elizabeth A.","Anisotropic thermal expansion of potassium dinitramide: a variable-temperature crystallographic study","Acta Crystallographica Section B","2001","57","2","113","118","10.1107/S0108768100018887","","","0.71073","MoKα","","0.0417","0.033","","0.0809","0.0768","","","","0.996","1.05","1.05","","","","","has coordinates,has Fobs","176768","2020-10-21","18:00:00","" "2103605","6.6162","0.0002","9.2831","0.0002","7.2","0.0003","90","","97.583","0.001","90","","438.35","0.02","298","1","298","1","","","","","","","","3","P 1 21/n 1","-P 2yn","14","potassium dinitramide","","","- K N3 O4 -","- K N3 O4 -","- K4 N12 O16 -","4","1","BR0101","Hardie, Michaele J.; Martin, Anthony; Pinkerton, A. Alan; Zhurova, Elizabeth A.","Anisotropic thermal expansion of potassium dinitramide: a variable-temperature crystallographic study","Acta Crystallographica Section B","2001","57","2","113","118","10.1107/S0108768100018887","","","0.71073","MoKα","","0.0507","0.0391","","0.0996","0.0944","","","","0.983","1.058","1.058","","","","","has coordinates,has Fobs","176768","2020-10-21","18:00:00","" "2103606","10.565","0.003","6.4178","0.0013","8.039","0.002","90","","91.05","0.04","90","","545","0.2","293","2","293","2","","","","","","","","3","C 1 2 1","C 2y","5","","Dithallium (I)-Molybdate (VI)","","- Mo O4 Tl2 -","- Mo O4 Tl2 -","- Mo4 O16 Tl8 -","4","1","NA0110","Friese, Karen; Aroyo, Mois I.; Folcia, Cesar L.; Madariaga, Gotzon; Breczewski, Tomasz","Characterization of the room-temperature phase of Tl~2~MoO~4~: crystal structure, symmetry mode analysis and second-harmonic generation measurements","Acta Crystallographica Section B","2001","57","2","142","150","10.1107/S0108768100015597","","","0.71069","MoKα","","0.0611","0.0285","","","","0.0388","","","","","","0.708","","","","has coordinates","176768","2020-10-21","18:00:00","" "2103607","5.4549","0.0002","10.6869","0.0004","17.442","0.0006","90","","95.704","0.002","90","","1011.76","0.06","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","3,5-Dinitrobenzoic acid‒1,2-diaminoethane (2/1)","","- C16 H16 N6 O12 -","- C16 H16 N6 O12 -","- C32 H32 N12 O24 -","2","0.5","NA0113","Burchell, Colin J.; Glidewell, Christopher; Lough, Alan J.; Ferguson, George","Salts of 3,5-dinitrobenzoic acid with organic diamines: hydrogen-bonded supramolecular structures in one, two and three dimensions","Acta Crystallographica Section B","2001","57","2","201","212","10.1107/S010876810001853X","","","0.71073","MoKα","","0.0503","0.0393","","","","0.1196","","","","","","1.086","","","","has coordinates,has Fobs","176768","2020-10-21","18:00:00","" "2103608","6.697","0.0005","9.1655","0.0008","10.5942","0.0009","65.338","0.003","85.985","0.004","69.313","0.003","550.57","0.08","100","0.1","100","0.1","","","","","","","","4","P -1","-P 1","2","","3,5-Dinitrobenzoic acid‒piperazine (2/1)","","- C18 H18 N6 O12 -","- C18 H18 N6 O12 -","- C18 H18 N6 O12 -","1","0.5","NA0113","Burchell, Colin J.; Glidewell, Christopher; Lough, Alan J.; Ferguson, George","Salts of 3,5-dinitrobenzoic acid with organic diamines: hydrogen-bonded supramolecular structures in one, two and three dimensions","Acta Crystallographica Section B","2001","57","2","201","212","10.1107/S010876810001853X","","","0.71073","MoKα","","0.0813","0.046","","","","0.1103","","","","","","1.045","","","","has coordinates,has Fobs","176768","2020-10-21","18:00:00","" "2103609","11.6228","0.0004","10.432","0.0003","19.635","0.0006","90","","109.689","0.0018","90","","2241.54","0.12","100","0.1","100","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","3,5-Dinitrobenzoic acid‒1,4-diazabicyclo[2.2.2]octane‒water (2/1/0.13)","","- C20 H20.26 N6 O12.13 -","- C20 H20.262 N6 O12.131 -","- C80 H81.048 N24 O48.524 -","4","1","NA0113","Burchell, Colin J.; Glidewell, Christopher; Lough, Alan J.; Ferguson, George","Salts of 3,5-dinitrobenzoic acid with organic diamines: hydrogen-bonded supramolecular structures in one, two and three dimensions","Acta Crystallographica Section B","2001","57","2","201","212","10.1107/S010876810001853X","","","0.71073","MoKα","","0.0643","0.0427","","","","0.1078","","","","","","1.054","","","","has coordinates,has Fobs","194474","2020-10-21","18:00:00","" "2103610","6.0665","0.0002","9.0635","0.0003","21.8452","0.0006","90","","92.031","0.002","90","","1200.38","0.07","100","0.1","100","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","3,5-Dinitrobenzoic acid‒N,N,N',N'-tetramethylethylenediamine (2/1)","","- C20 H24 N6 O12 -","- C20 H24 N6 O12 -","- C40 H48 N12 O24 -","2","0.5","NA0113","Burchell, Colin J.; Glidewell, Christopher; Lough, Alan J.; Ferguson, George","Salts of 3,5-dinitrobenzoic acid with organic diamines: hydrogen-bonded supramolecular structures in one, two and three dimensions","Acta Crystallographica Section B","2001","57","2","201","212","10.1107/S010876810001853X","","","0.71073","MoKα","","0.0718","0.0506","","","","0.1647","","","","","","1.123","","","","has coordinates,has Fobs","176768","2020-10-21","18:00:00","" "2103611","7.1399","0.0002","21.1749","0.0006","7.8255","0.0002","90","","99.199","0.0018","90","","1167.9","0.06","100","0.1","100","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","3,5-Dinitrobenzoic acid‒N,N'-dimethylpiperazine (2/1)","","- C20 H22 N6 O12 -","- C20 H22 N6 O12 -","- C40 H44 N12 O24 -","2","0.5","NA0113","Burchell, Colin J.; Glidewell, Christopher; Lough, Alan J.; Ferguson, George","Salts of 3,5-dinitrobenzoic acid with organic diamines: hydrogen-bonded supramolecular structures in one, two and three dimensions","Acta Crystallographica Section B","2001","57","2","201","212","10.1107/S010876810001853X","","","0.71073","MoKα","","0.0642","0.0442","","","","0.1266","","","","","","1.075","","","","has coordinates,has Fobs","176768","2020-10-21","18:00:00","" "2103612","10.1344","0.0006","4.942","0.0002","27.5984","0.0014","90","","110.96","0.002","90","","1290.78","0.11","150","1","150","1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","3,5-Dinitrobenzoic acid‒1,2-bis(4'-pyridyl)ethane (2/1)","","- C26 H20 N6 O12 -","- C26 H20 N6 O12 -","- C52 H40 N12 O24 -","2","0.5","NA0113","Burchell, Colin J.; Glidewell, Christopher; Lough, Alan J.; Ferguson, George","Salts of 3,5-dinitrobenzoic acid with organic diamines: hydrogen-bonded supramolecular structures in one, two and three dimensions","Acta Crystallographica Section B","2001","57","2","201","212","10.1107/S010876810001853X","","","0.71073","MoKα","","0.0586","0.0435","","","","0.1115","","","","","","1.045","","","","has coordinates,has Fobs","176768","2020-10-21","18:00:00","" "2103613","4.7297","0.0003","9.3973","0.0006","14.8365","0.0006","104.528","0.003","94.086","0.003","92.793","0.003","635.2","0.06","150","1","100","0.1","","","","","","","","4","P -1","-P 1","2","","3,5-Dinitrobenzoic acid‒trans-1,2-bis(4'-pyridyl)ethene (2/1)","","- C26 H18 N6 O12 -","- C26 H18 N6 O12 -","- C26 H18 N6 O12 -","1","0.5","NA0113","Burchell, Colin J.; Glidewell, Christopher; Lough, Alan J.; Ferguson, George","Salts of 3,5-dinitrobenzoic acid with organic diamines: hydrogen-bonded supramolecular structures in one, two and three dimensions","Acta Crystallographica Section B","2001","57","2","201","212","10.1107/S010876810001853X","","","0.71073","MoKα","","0.0716","0.0436","","","","0.109","","","","","","1.031","","","","has coordinates,has Fobs","176768","2020-10-21","18:00:00","" "2103614","4.6956","0.0005","4.6956","0.0005","3.1793","0.0003","90","0.008","90","0.008","90","0.008","70.099","0.012","293","","293","","","","","","","","","2","P 42/m n m","-P 4n 2n","136","","","","- Co F2 -","- Co0.125 F0.25 -","- Co2 F4 -","16","1","OS0063","O'Toole, Nicholas J.; Streltsov, Victor A.","Synchrotron X-ray analysis of the electron density in CoF~2~ and ZnF~2~","Acta Crystallographica Section B","2001","57","2","128","135","10.1107/S0108768100017353","","","0.84","synchrotron","","0.019","0.019","","0.015","0.015","","","","2.416","2.416","2.416","","","","","has coordinates,has Fobs","176768","2020-10-21","18:00:00","" "2103615","4.7038","0.0015","4.7038","0.0015","3.1336","0.0007","90","0.02","90","0.02","90","0.02","69.33","0.03","293","","293","","","","","","","","","2","P 42/m n m","-P 4n 2n","136","","","","- F2 Zn -","- F0.25 Zn0.125 -","- F4 Zn2 -","16","1","OS0063","O'Toole, Nicholas J.; Streltsov, Victor A.","Synchrotron X-ray analysis of the electron density in CoF~2~ and ZnF~2~","Acta Crystallographica Section B","2001","57","2","128","135","10.1107/S0108768100017353","","","0.84","synchrotron","","0.014","0.014","","0.016","0.016","","","","2.388","2.388","2.388","","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00","" "2103616","11.9928","0.0002","11.9928","0.0002","11.9928","0.0002","90","","90","","90","","1724.89","0.05","293","","293","","","","","","","","","3","I a -3 d","-I 4bd 2c 3","230","","","","- Al5 Er3 O12 -","- Al5 Er3 O12 -","- Al40 Er24 O96 -","8","0.0833333","OS0064","Etschmann, Barbara; Streltsov, Victor; Ishizawa, Nobuo; Maslen, E. N.","Synchrotron X-ray study of Er~3~Al~5~O~12~ and Yb~3~Al~5~O~12~ garnets","Acta Crystallographica Section B","2001","57","2","136","141","10.1107/S0108768100019923","","","0.75","synchrotron","","0.022","0.022","","0.028","","0.028","","","3.097","","","3.097","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00","" "2103617","11.9386","0.0004","11.9386","0.0004","11.9386","0.0004","90","","90","","90","","1701.61","0.1","293","","293","","","","","","","","","3","I a -3 d","-I 4bd 2c 3","230","","","","- Al5 O12 Yb3 -","- Al5 O12 Yb3 -","- Al40 O96 Yb24 -","8","0.0833333","OS0064","Etschmann, Barbara; Streltsov, Victor; Ishizawa, Nobuo; Maslen, E. N.","Synchrotron X-ray study of Er~3~Al~5~O~12~ and Yb~3~Al~5~O~12~ garnets","Acta Crystallographica Section B","2001","57","2","136","141","10.1107/S0108768100019923","","","0.7","synchrotron","","0.022","0.022","","0.031","","0.031","","","3.453","","","3.453","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00","" "2103618","4.005","0.0004","4.005","0.0004","4.005","0.0004","90","0.01","90","0.01","90","0.01","64.24","0.011","295","","","","","","","","","","","3","P m -3 m","-P 4 2 3","221","","","","- K0.934 O2.94 Ta -","- K0.0042 O0.03258 Ta0.0065 -","- K0.0042 O0.03258 Ta0.0065 -","1","0.0208333","OS0066","Arakcheeva, Alla; Chapuis, Gervais; Grinevitch, Vladimir; Shamray, Vladimir","A novel perovskite-like Ta-bronze KTa~1+z~O~3~: preparation, stoichiometry, conductivity and crystal structure studies","Acta Crystallographica Section B","2001","57","2","157","162","10.1107/S0108768100018917","","","0.71073","MoKα","","0.0094","0.0094","","","","0.006","","","","3.05","3.05","3.05","","","","has coordinates,has Fobs","190344","2020-10-21","18:00:00","" "2103619","12.845","0.005","14.575","0.003","13.779","0.002","90","","117.72","0.02","90","","2283.6","1.1","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C24 H32 O7 -","- C24 H31 O7 -","- C96 H124 O28 -","4","2","AN0566","Palmer, Rex A.; Potter, Brian S.; Lisgarten, John N.; Fenn, Ruth H.; Mason, Sax A.; Mills, Owen S.; Robinson, Peter M.; Watt, C. Ian F.","X-ray and neutron structure of 1,8-(3,6,9-trioxaundecane-1,11-diyldioxy)-9,10-dihydro-10,10-dimethylanthracene-9-ol (P326); some pitfalls of automatic data collection","Acta Crystallographica Section B","2001","57","3","339","345","10.1107/S0108768100015184","","","1.5418","CuKα","","0.1001","0.0619","","0.1688","0.1506","","","","0.908","1.144","1.144","","","","","has coordinates,has Fobs","201972","2020-10-21","18:00:00","" "2103620","12.605","0.005","14.458","0.003","13.588","0.002","90","","117.12","0.02","90","","2204.1","1.1","15","","15","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C24 H32 O7 -","- C25.44 H30.08 O5.925 -","- C101.76 H120.32 O23.7 -","4","2","AN0566","Palmer, Rex A.; Potter, Brian S.; Lisgarten, John N.; Fenn, Ruth H.; Mason, Sax A.; Mills, Owen S.; Robinson, Peter M.; Watt, C. Ian F.","X-ray and neutron structure of 1,8-(3,6,9-trioxaundecane-1,11-diyldioxy)-9,10-dihydro-10,10-dimethylanthracene-9-ol (P326); some pitfalls of automatic data collection","Acta Crystallographica Section B","2001","57","3","339","345","10.1107/S0108768100015184","","","","","","0.0493","0.0462","","0.132","0.1184","","","","0.779","0.779","0.779","","","","","has coordinates,has Fobs","176768","2020-10-21","18:00:00","" "2103621","17.42","","7.421","","8.939","","90","","90","","90","","1155.58","","150","1","150","1","","","","","","","","5","P b c a","-P 2ac 2ab","61","Urea-phosphoric acid","Urea-phosphoric acid 1:1 complex","","- C H7 N2 O5 P -","- C H7 N2 O5 P -","- C8 H56 N16 O40 P8 -","8","1","AN0570","Wilson, Chick C.","Migration of the proton in the strong O—H···O hydrogen bond in urea‒phosphoric acid (1/1)","Acta Crystallographica Section B","2001","57","3","435","439","10.1107/S0108768100018875","","neutron","","neutron","","0.103","0.103","","","","0.185","","","","","","1.2","","","","has coordinates","209498","2020-10-21","18:00:00","" "2103622","17.549","","7.446","","8.959","","90","","90","","90","","1170.67","","250","1","250","1","","","","","","","","5","P b c a","-P 2ac 2ab","61","Urea-phosphoric acid","Urea-phosphoric acid 1:1 complex","","- C H7 N2 O5 P -","- C H7 N2 O5 P -","- C8 H56 N16 O40 P8 -","8","1","AN0570","Wilson, Chick C.","Migration of the proton in the strong O—H···O hydrogen bond in urea‒phosphoric acid (1/1)","Acta Crystallographica Section B","2001","57","3","435","439","10.1107/S0108768100018875","","neutron","","neutron","","0.093","0.093","","","","0.171","","","","","","1.182","","","","has coordinates","209498","2020-10-21","18:00:00","" "2103623","17.576","","7.456","","8.963","","90","","90","","90","","1174.57","","280","1","280","1","","","","","","","","5","P b c a","-P 2ac 2ab","61","Urea-phosphoric acid","Urea-phosphoric acid 1:1 complex","","- C H7 N2 O5 P -","- C H7 N2 O5 P -","- C8 H56 N16 O40 P8 -","8","1","AN0570","Wilson, Chick C.","Migration of the proton in the strong O—H···O hydrogen bond in urea‒phosphoric acid (1/1)","Acta Crystallographica Section B","2001","57","3","435","439","10.1107/S0108768100018875","","neutron","","neutron","","0.121","0.121","","","","0.191","","","","","","1.294","","","","has coordinates","209498","2020-10-21","18:00:00","" "2103624","17.589","","7.458","","8.967","","90","","90","","90","","1176.28","","290","1","290","1","","","","","","","","5","P b c a","-P 2ac 2ab","61","Urea-phosphoric acid","Urea-phosphoric acid 1:1 complex","","- C H7 N2 O5 P -","- C H7 N2 O5 P -","- C8 H56 N16 O40 P8 -","8","1","AN0570","Wilson, Chick C.","Migration of the proton in the strong O—H···O hydrogen bond in urea‒phosphoric acid (1/1)","Acta Crystallographica Section B","2001","57","3","435","439","10.1107/S0108768100018875","","neutron","","neutron","","0.097","0.097","","","","0.159","","","","","","1.218","","","","has coordinates","209498","2020-10-21","18:00:00","" "2103625","17.595","","7.46","","8.968","","90","","90","","90","","1177.13","","295","1","295","1","","","","","","","","5","P b c a","-P 2ac 2ab","61","Urea-phosphoric acid","Urea-phosphoric acid 1:1 complex","","- C H7 N2 O5 P -","- C H7 N2 O5 P -","- C8 H56 N16 O40 P8 -","8","1","AN0570","Wilson, Chick C.","Migration of the proton in the strong O—H···O hydrogen bond in urea‒phosphoric acid (1/1)","Acta Crystallographica Section B","2001","57","3","435","439","10.1107/S0108768100018875","","neutron","","neutron","","0.094","0.094","","","","0.163","","","","","","1.245","","","","has coordinates","209498","2020-10-21","18:00:00","" "2103626","17.601","","7.461","","8.968","","90","","90","","90","","1177.69","","300","1","300","1","","","","","","","","5","P b c a","-P 2ac 2ab","61","Urea-phosphoric acid","Urea-phosphoric acid 1:1 complex","","- C H7 N2 O5 P -","- C H7 N2 O5 P -","- C8 H56 N16 O40 P8 -","8","1","AN0570","Wilson, Chick C.","Migration of the proton in the strong O—H···O hydrogen bond in urea‒phosphoric acid (1/1)","Acta Crystallographica Section B","2001","57","3","435","439","10.1107/S0108768100018875","","neutron","","neutron","","0.09","0.09","","","","0.154","","","","","","1.209","","","","has coordinates","209498","2020-10-21","18:00:00","" "2103627","17.608","","7.462","","8.97","","90","","90","","90","","1178.58","","305","1","305","1","","","","","","","","5","P b c a","-P 2ac 2ab","61","Urea-phosphoric acid","Urea-phosphoric acid 1:1 complex","","- C H7 N2 O5 P -","- C H7 N2 O5 P -","- C8 H56 N16 O40 P8 -","8","1","AN0570","Wilson, Chick C.","Migration of the proton in the strong O—H···O hydrogen bond in urea‒phosphoric acid (1/1)","Acta Crystallographica Section B","2001","57","3","435","439","10.1107/S0108768100018875","","neutron","","neutron","","0.099","0.099","","","","0.165","","","","","","1.291","","","","has coordinates","209498","2020-10-21","18:00:00","" "2103628","17.614","","7.463","","8.971","","90","","90","","90","","1179.27","","310","1","310","1","","","","","","","","5","P b c a","-P 2ac 2ab","61","Urea-phosphoric acid","Urea-phosphoric acid 1:1 complex","","- C H7 N2 O5 P -","- C H7 N2 O5 P -","- C8 H56 N16 O40 P8 -","8","1","AN0570","Wilson, Chick C.","Migration of the proton in the strong O—H···O hydrogen bond in urea‒phosphoric acid (1/1)","Acta Crystallographica Section B","2001","57","3","435","439","10.1107/S0108768100018875","","neutron","","neutron","","0.101","0.101","","","","0.167","","","","","","1.23","","","","has coordinates","209498","2020-10-21","18:00:00","" "2103629","17.621","","7.463","","8.972","","90","","90","","90","","1179.87","","315","1","315","1","","","","","","","","5","P b c a","-P 2ac 2ab","61","Urea-phosphoric acid","Urea-phosphoric acid 1:1 complex","","- C H7 N2 O5 P -","- C H7 N2 O5 P -","- C8 H56 N16 O40 P8 -","8","1","AN0570","Wilson, Chick C.","Migration of the proton in the strong O—H···O hydrogen bond in urea‒phosphoric acid (1/1)","Acta Crystallographica Section B","2001","57","3","435","439","10.1107/S0108768100018875","","neutron","","neutron","","0.102","0.102","","","","0.166","","","","","","1.27","","","","has coordinates","209498","2020-10-21","18:00:00","" "2103630","17.629","","7.465","","8.974","","90","","90","","90","","1180.98","","320","1","320","1","","","","","","","","5","P b c a","-P 2ac 2ab","61","Urea-phosphoric acid","Urea-phosphoric acid 1:1 complex","","- C H7 N2 O5 P -","- C H7 N2 O5 P -","- C8 H56 N16 O40 P8 -","8","1","AN0570","Wilson, Chick C.","Migration of the proton in the strong O—H···O hydrogen bond in urea‒phosphoric acid (1/1)","Acta Crystallographica Section B","2001","57","3","435","439","10.1107/S0108768100018875","","neutron","","neutron","","0.103","0.103","","","","0.161","","","","","","1.279","","","","has coordinates","209498","2020-10-21","18:00:00","" "2103631","17.639","","7.466","","8.975","","90","","90","","90","","1181.94","","330","1","330","1","","","","","","","","5","P b c a","-P 2ac 2ab","61","Urea-phosphoric acid","Urea-phosphoric acid 1:1 complex","","- C H7 N2 O5 P -","- C H7 N2 O5 P -","- C8 H56 N16 O40 P8 -","8","1","AN0570","Wilson, Chick C.","Migration of the proton in the strong O—H···O hydrogen bond in urea‒phosphoric acid (1/1)","Acta Crystallographica Section B","2001","57","3","435","439","10.1107/S0108768100018875","","neutron","","neutron","","0.101","0.101","","","","0.163","","","","","","1.287","","","","has coordinates","209498","2020-10-21","18:00:00","" "2103632","17.648","","7.467","","8.976","","90","","90","","90","","1182.84","","335","1","335","1","","","","","","","","5","P b c a","-P 2ac 2ab","61","Urea-phosphoric acid","Urea-phosphoric acid 1:1 complex","","- C H7 N2 O5 P -","- C H7 N2 O5 P -","- C8 H56 N16 O40 P8 -","8","1","AN0570","Wilson, Chick C.","Migration of the proton in the strong O—H···O hydrogen bond in urea‒phosphoric acid (1/1)","Acta Crystallographica Section B","2001","57","3","435","439","10.1107/S0108768100018875","","neutron","","neutron","","0.101","0.101","","","","0.163","","","","","","1.261","","","","has coordinates","209498","2020-10-21","18:00:00","" "2103633","18.274","0.003","9.887","0.002","14.021","0.002","90","","90.41","0.03","90","","2533.2","0.8","173","2","173","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C32 H28 N2 O2 -","- C32 H28 N2 O2 -","- C128 H112 N8 O8 -","4","0.5","AN0579","Nassimbeni, Luigi R.; Su, Hong","Inclusion compounds of binaphthol with picolines: structures, selectivity and kinetics of desolvation","Acta Crystallographica Section B","2001","57","3","394","398","10.1107/S010876810002108X","","","0.71073","MoKα","","0.0693","0.0415","","","","0.1105","","","","","","1.035","","","","has coordinates","176768","2020-10-21","18:00:00","" "2103634","12.118","0.001","13.2614","0.001","16.581","0.001","90","0.001","103.448","0.002","90","0.001","2591.5","0.3","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C32 H28 N2 O2 -","- C32 H28 N2 O2 -","- C128 H112 N8 O8 -","4","1","AN0579","Nassimbeni, Luigi R.; Su, Hong","Inclusion compounds of binaphthol with picolines: structures, selectivity and kinetics of desolvation","Acta Crystallographica Section B","2001","57","3","394","398","10.1107/S010876810002108X","","","0.71073","MoKα","","0.071","0.041","","","","0.1055","","","","","","1.021","","","","has coordinates","176768","2020-10-21","18:00:00","" "2103635","18.119","0.003","10.812","0.002","25.665","0.005","90","0.001","90","0.001","90","0.001","5027.8","1.6","173","2","173","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C32 H28 N2 O2 -","- C32 H28 N2 O2 -","- C256 H224 N16 O16 -","8","1","AN0579","Nassimbeni, Luigi R.; Su, Hong","Inclusion compounds of binaphthol with picolines: structures, selectivity and kinetics of desolvation","Acta Crystallographica Section B","2001","57","3","394","398","10.1107/S010876810002108X","","","0.71073","MoKα","","0.086","0.043","","","","0.1122","","","","","","1.022","","","","has coordinates","176768","2020-10-21","18:00:00","" "2103636","7.305","0.004","11.495","0.005","7.24","0.003","90","","109.71","0.05","90","","572.3","0.5","20","0.1","20","0.1","","","","","","","","4","P 1 c 1","P -2yc","7","NMBA","","","- C14 H12 N2 O2 -","- C14 H12 N2 O2 -","- C28 H24 N4 O4 -","2","1","AN0580","Cole, Jacqueline M.; Howard, Judith A. K.; McIntyre, Garry J.","Influence of hydrogen bonding on the second harmonic generation effect: neutron diffraction study of 4-nitro-4'-methylbenzylidene aniline","Acta Crystallographica Section B","2001","57","3","410","414","10.1107/S0108768101002154","","neutron","1.2617","neutrons","","0.0326","0.0306","","0.047","0.0469","","","","1.96","1.995","1.995","","","","","has coordinates","176768","2020-10-21","18:00:00","" "2103637","15.35","0.0001","3.6115","0.0004","10.058","0.001","90","","109.56","0.007","90","","525.4","0.08","9.6","0.3","","","","","","","","","","3","C 1 2/m 1","-C 2y","12","","","","- Na0.282 O5 V2 -","- Na0.666667 O5 V2 -","- Na4 O30 V12 -","6","0.75","AV0034","Ozerov, Ruslan P.; Streltsov, Victor A.; Sobolev, Alexander N.; Figgis, Brian N.; Volkov, Victor L.","Electron density in the sodium vanadium oxide bronze β-Na~x~V~2~O~5~ at 9K","Acta Crystallographica Section B","2001","57","3","244","250","10.1107/S0108768101002038","","","0.71069","MoKa","","","0.0156","","","0.011","","","","","1.979","1.979","","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00","" "2103638","15.231","0.005","6.778","0.003","8.626","0.003","90","","90","","90","","890.5","0.6","293","2","293","2","","","","","","","","5","P n m a","-P 2ac 2n","62","9a","4,6-Dimethoxy-3-methyl-1,3,5-triazine-2(3H)-thione","","- C6 H9 N3 O2 S -","- C6 H9 N3 O2 S -","- C24 H36 N12 O8 S4 -","4","0.5","AV0037","Greenberg, Mark; Shteiman, Vitaly; Kaftory, Menahem","Topochemically controlled solid-state methyl rearrangement in thiocyanurates","Acta Crystallographica Section B","2001","57","3","428","434","10.1107/S0108768101005171","","","0.7107","MoKα","","0.1025","0.0609","","","","0.154","","","","","","1.104","","","","has coordinates,has Fobs","176768","2020-10-21","18:00:00","" "2103639","7.657","0.003","14.361","0.007","8.433","0.004","90","","110.99","0.03","90","","865.8","0.7","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","9b","4,6-Dimethoxy-3-methyl-1,3,5-triazine-2(3H)-thion","","- C6 H9 N3 O2 S -","- C6 H9 N3 O2 S -","- C24 H36 N12 O8 S4 -","4","1","AV0037","Greenberg, Mark; Shteiman, Vitaly; Kaftory, Menahem","Topochemically controlled solid-state methyl rearrangement in thiocyanurates","Acta Crystallographica Section B","2001","57","3","428","434","10.1107/S0108768101005171","","","0.7107","MoKα","","0.1344","0.0527","","","","0.1592","","","","","","1.075","","","","has coordinates,has Fobs","201972","2020-10-21","18:00:00","" "2103640","7.7771","0.0008","7.9991","0.0007","14.9762","0.0016","90","","94.629","0.001","90","","928.63","0.16","300","2","300","2","","","","","","","","5","P 1 21 1","P 2yb","4","13","1-Methyl-6-methoxy-4-methlthio-1,3,5-triazine-2(1H)-thione","","- C6 H9 N3 O S2 -","- C6 H9 N3 O S2 -","- C24 H36 N12 O4 S8 -","4","2","AV0037","Greenberg, Mark; Shteiman, Vitaly; Kaftory, Menahem","Topochemically controlled solid-state methyl rearrangement in thiocyanurates","Acta Crystallographica Section B","2001","57","3","428","434","10.1107/S0108768101005171","","","0.71073","MoKα","","0.0614","0.05","","","","0.1196","","","","","","1.051","","","","has coordinates,has Fobs","201972","2020-10-21","18:00:00","" "2103641","15.712","0.007","6.73","0.003","8.731","0.004","90","","90","","90","","923.2","0.7","293","2","293","2","","","","","","","","5","P n m a","-P 2ac 2n","62","12","1-methyl-2,4-bismethylthio-1,3,5-triazine-6(1H)-one","","- C6 H9 N3 O S2 -","- C6 H9 N3 O S2 -","- C24 H36 N12 O4 S8 -","4","0.5","AV0037","Greenberg, Mark; Shteiman, Vitaly; Kaftory, Menahem","Topochemically controlled solid-state methyl rearrangement in thiocyanurates","Acta Crystallographica Section B","2001","57","3","428","434","10.1107/S0108768101005171","","","0.7107","MoKα","","0.0763","0.049","","","","0.1171","","","","","","1.076","","","","has coordinates,has Fobs","176768","2020-10-21","18:00:00","" "2103642","9.3255","0.0001","5.4503","0.0001","9.04","0.0001","90","0.001","101.474","0.001","90","0.001","450.291","0.011","100","1","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C2 H2 N4 O3 -","- C2 H2 N4 O3 -","- C8 H8 N16 O12 -","4","1","BR0102","Zhurova, Elizabeth A.; Pinkerton, A. Alan","Chemical bonding in energetic materials: β-NTO","Acta Crystallographica Section B","2001","57","3","359","365","10.1107/S0108768100020048","","","0.56085","AgKα","","","0.0333","","","","0.0425","","","","","","1.132","","","","has coordinates","176768","2020-10-21","18:00:00","" "2103643","17.43","0.02","7.43","0.02","8.97","0.02","90","","90","","90","","1161","4","100","","100","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","urea phosphate","","- C H7 N2 O5 P -","- C H7 N2 O5 P -","- C8 H56 N16 O40 P8 -","8","1","CA0006","Rodrigues, Bernardo Lages; Tellgren, Roland; Fernandes, Nelson G.","Experimental electron density of urea‒phosphoric acid (1/1) at 100K","Acta Crystallographica Section B","2001","57","3","353","358","10.1107/S0108768101004359","","neutron","1.207","neutron","","0.069","0.053","","","","0.053","","","","","","1.35","","","","has coordinates","176768","2020-10-21","18:00:00","" "2103644","17.4527","0.0007","7.4465","0.0005","8.9589","0.0004","90","","90","","90","","1164.31","0.09","100","","100","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","urea phosphate","","- C H7 N2 O5 P -","- C H7 N2 O5 P -","- C8 H56 N16 O40 P8 -","8","1","CA0006","Rodrigues, Bernardo Lages; Tellgren, Roland; Fernandes, Nelson G.","Experimental electron density of urea‒phosphoric acid (1/1) at 100K","Acta Crystallographica Section B","2001","57","3","353","358","10.1107/S0108768101004359","","","0.71073","MoKα","","0.0963","0.0577","","","","0.053","","","","","","0.69","","","","has coordinates","176435","2020-10-21","18:00:00","" "2103645","10.069","0.0008","20.136","0.002","10.0329","0.0004","90","","90","","90.01","0.01","2034.2","0.3","177","","","","","","","","","","","4","P 1 1 21","P 2c","4","","","","- Be3 F12 K2 Mn2 -","- Be3 F12 K2 Mn2 -","- Be24 F96 K16 Mn16 -","8","4","CK0001","Guelylah, A.; Madariaga, G.; Petricek, V.; Breczewski, T.; Aroyo, M. I.; Bocanegra, E. H.","X-ray diffraction study of the phase transition of K~2~Mn~2~(BeF~4~)~3~: a new type of low-temperature structure for langbeinites","Acta Crystallographica Section B","2001","57","3","221","230","10.1107/S0108768100019960","","","0.71073","MoKα","","0.119","0.064","","0.056","","0.055","","","3.26","3.26","3.26","","","","","has coordinates","176432","2020-10-21","18:00:00","" "2103646","9.7105","0.0002","7.4691","0.0001","26.8992","0.0004","90","","90.368","0.001","90","","1950.92","0.06","","","","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- Cl4 Cs2 Hg -","- Cl4 Cs2 Hg -","- Cl32 Cs16 Hg8 -","8","2","CK0002","Bagautdinov, Bagautdin; Jobst, Andreas; Ludecke, Jens; van Smaalen, Sander","Structural basis for the phase transitions of Cs~2~HgCl~4~","Acta Crystallographica Section B","2001","57","3","231","236","10.1107/S0108768100020322","","","0.71073","Synchrotron","","0.0767","0.0529","","","","0.057","","","","1.27","1.27","1.49","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00","" "2103647","10.398","0.006","8.662","0.002","15.393","0.006","90","","93.06","0.02","90","","1384.4","1","293","2","293","2","","","","","","","","4","I 1 a 1","I -2ya","9","DL-Lysine complexed with glutaric acid","","","- C11 H22 N2 O6 -","- C11 H22 N2 O6 -","- C44 H88 N8 O24 -","4","1","DE0009","Saraswathi, N. T.; Manoj, N.; Vijayan, M.","X-ray studies on crystalline complexes involving amino acids and peptides. XXXVII. Novel aggregation patterns and effect of chirality in the complexes of DL- and L-lysine with glutaric acid","Acta Crystallographica Section B","2001","57","3","366","371","10.1107/S010876810100218X","","","1.5418","CuKα","","0.0414","0.0398","","","","0.1517","","","","","","1.301","","","","has coordinates,has Fobs","201972","2020-10-21","18:00:00","" "2103648","9.044","0.001","9.044","0.001","14.943","0.003","90","","90","","120","","1058.5","0.3","293","2","293","2","","","","","","","","4","P 31","P 31","144","L-Lysine with glutaric acid","","","- C11 H22 N2 O6 -","- C11 H22 N2 O6 -","- C33 H66 N6 O18 -","3","1","DE0009","Saraswathi, N. T.; Manoj, N.; Vijayan, M.","X-ray studies on crystalline complexes involving amino acids and peptides. XXXVII. Novel aggregation patterns and effect of chirality in the complexes of DL- and L-lysine with glutaric acid","Acta Crystallographica Section B","2001","57","3","366","371","10.1107/S010876810100218X","","","1.5418","CuKα","","0.067","0.063","","","","0.1418","","","","","","1.185","","","","has coordinates,has Fobs","201972","2020-10-21","18:00:00","" "2103649","8.27","0.001","11.579","0.002","25.019","0.004","90","","91.42","0.02","90","","2395","0.6","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","di(2-aminopyridine)-bis(cupferronato)cobalt(II)","di(2-aminopyridine)-bis(N-nitroso-N-phenylhydroxylaminato)-cobalt(II)","","- C22 H22 Co N8 O4 -","- C22 H22 Co N8 O4 -","- C88 H88 Co4 N32 O16 -","4","1","DE0010","Deák, Andrea; Kálmán, Alajos; Párkányi, László; Haiduc, Ionel","Hydrogen-bonded hexagonal and pseudo-hexagonal grid motifs in supramolecular cobalt(II) and nickel(II) cupferronato complexes incorporating neutral N-donors with intermolecular NH~2~ connectors and solvent molecules","Acta Crystallographica Section B","2001","57","3","303","310","10.1107/S0108768101004426","","","0.71073","MoKα","","0.0981","0.0407","","","","0.1132","","","","","","0.962","","","","has coordinates,has Fobs","176768","2020-10-21","18:00:00","" "2103650","8.321","0.001","11.535","0.002","24.852","0.002","90","","91.55","0.01","90","","2384.5","0.5","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","di(2-aminopyridine)-bis(cupferronato)nickel(II)","di(2-aminopyridine)-bis(N-nitroso-N-phenylhydroxylaminato)-nickel(II)","","- C22 H22 N8 Ni O4 -","- C22 H22 N8 Ni O4 -","- C88 H88 N32 Ni4 O16 -","4","1","DE0010","Deák, Andrea; Kálmán, Alajos; Párkányi, László; Haiduc, Ionel","Hydrogen-bonded hexagonal and pseudo-hexagonal grid motifs in supramolecular cobalt(II) and nickel(II) cupferronato complexes incorporating neutral N-donors with intermolecular NH~2~ connectors and solvent molecules","Acta Crystallographica Section B","2001","57","3","303","310","10.1107/S0108768101004426","","","0.71073","MoKα","","0.0926","0.0359","","","","0.0947","","","","","","0.93","","","","has coordinates,has Fobs","176768","2020-10-21","18:00:00","" "2103651","10.225","0.001","10.214","0.002","14.163","0.001","73.34","0.009","68.18","0.008","70.45","0.013","1271.6","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","Di-(2,6-diamino-4-phenyl-1,3,5-triazine)-bis(N-nitroso-N- phenylhydroxylaminato)-cobalt(II) di-ethanol-bis(N-nitroso-N- phenylhydroxylaminato)-cobalt(II)","","- C23 H25 Co N9 O5 -","- C23 H25 Co N9 O5 -","- C46 H50 Co2 N18 O10 -","2","1","DE0010","Deák, Andrea; Kálmán, Alajos; Párkányi, László; Haiduc, Ionel","Hydrogen-bonded hexagonal and pseudo-hexagonal grid motifs in supramolecular cobalt(II) and nickel(II) cupferronato complexes incorporating neutral N-donors with intermolecular NH~2~ connectors and solvent molecules","Acta Crystallographica Section B","2001","57","3","303","310","10.1107/S0108768101004426","","","0.7107","MoKα","","0.0577","0.036","","","","0.1055","","","","","","0.978","","","","has coordinates,has Fobs","176768","2020-10-21","18:00:00","" "2103652","7.45067","0.00012","14.1768","0.0002","7.21007","0.00012","97.19","0.0013","118.473","0.0011","80.6428","0.0013","659.553","0.019","295","","295","","","","","","","","","3","P -1","-P 1","2","","bismuth lead oxide","","?","- Bi4.91 O10.5 Pb3.09 -","- Bi9.82 O21 Pb6.18 -","2","1","LC0030","Righi, Lara; Calestani, Gianluca; Gemmi, Mauro; Migliori, Andrea; Bettinelli, Marco","Neutron diffraction study of φ-Bi~8~Pb~5~O~17~: structure refinement and analysis of cationic ordering","Acta Crystallographica Section B","2001","57","3","237","243","10.1107/S0108768101001628","","neutron","1.594","neutron","","","","","","","","","","1.38","","","","","","","has coordinates","176768","2020-10-21","18:00:00","" "2103653","11.02","0.03","10.27","0.02","10.85","0.02","90","","90","","90","","1228","5","295","","295","","","","","","","","","7","P n m a","-P 2ac 2n","62","BCCDBr(38%)","38% Brominated Betaine Calcium Chloride Dihydrate","","- C5 H15 Br0.72 Ca Cl1.28 N O4 -","- C5 H15 Br0.72 Ca Cl1.28 N O4 -","- C20 H60 Br2.88 Ca4 Cl5.12 N4 O16 -","4","0.5","LC0032","Vieira, L. G.; Hernandez, O.; Ribeiro, J. L.; Cousson, A.; Kiat, J.-M.; Chaves, M. R.; Almeida, A.; Klöpperpieper, A.","Structure of the X-phase of 38% brominated betaine calcium chloride dihydrate","Acta Crystallographica Section B","2001","57","3","296","302","10.1107/S0108768101001525","","neutron","1.531","Neutron","","","0.0517","","","","0.0417","","","","","","1.0292","","","","has coordinates","176435","2020-10-21","18:00:00","" "2103654","11.04","0.03","10.22","0.03","10.55","0.02","90","","90","","90","","1190","5","20","","20","","","","","","","","","7","","P 2ac 2ab (x,y,z+1/4)","19","BCCDBr(38%)","38% Brominated Betaine Calcium Chloride Dihydrate","","- C5 H15 Br0.77 Ca Cl1.23 N O4 -","- C5 H15 Br0.773 Ca Cl1.227 N O4 -","- C20 H60 Br3.092 Ca4 Cl4.908 N4 O16 -","4","","LC0032","Vieira, L. G.; Hernandez, O.; Ribeiro, J. L.; Cousson, A.; Kiat, J.-M.; Chaves, M. R.; Almeida, A.; Klöpperpieper, A.","Structure of the X-phase of 38% brominated betaine calcium chloride dihydrate","Acta Crystallographica Section B","2001","57","3","296","302","10.1107/S0108768101001525","","neutron","0.8308","Neutron","","","0.0508","","","","0.0405","","","","","","1.0715","","","","has coordinates","176435","2020-10-21","18:00:00","" "2103655","12.0626","0.0006","41.714","0.001","5.4588","0.0003","73.388","0.004","100.408","0.005","118.274","0.004","2314.7","0.2","293","","293","","","","","","","","","3","P -1","-P 1","2","β-trimyristin (MMM)","β-1,2,3-tri-tetradecanoyl-glycerol","","- C45 H86 O6 -","- C45 H86 O6 -","- C90 H172 O12 -","2","1","NA0112","van Langevelde, Arjen; Peschar, René; Schenk, Henk","Structure of β-trimyristin and β-tristearin from high-resolution X-ray powder diffraction data","Acta Crystallographica Section B","2001","57","3","372","377","10.1107/S0108768100019121","","","0.699716","synchrotron","","","","","","","","","","3.9","","","","","","","has coordinates","176432","2020-10-21","18:00:00","" "2103656","12.0053","0.0007","51.902","0.002","5.445","0.0003","73.752","0.005","100.256","0.006","117.691","0.005","2879.6","0.3","293","","293","","","","","","","","","3","P -1","-P 1","2","β-tristearin (SSS)","β-1,2,3-tri-octadecanoyl-glycerol","","- C57 H110 O6 -","- C57 H110 O6 -","- C114 H220 O12 -","2","1","NA0112","van Langevelde, Arjen; Peschar, René; Schenk, Henk","Structure of β-trimyristin and β-tristearin from high-resolution X-ray powder diffraction data","Acta Crystallographica Section B","2001","57","3","372","377","10.1107/S0108768100019121","","","0.650515","synchrotron","","","","","","","","","","4.4","","","","","","","has coordinates","201972","2020-10-21","18:00:00","" "2103657","8.226","0.004","8.226","0.004","11.019","0.004","90","","90","","120","","645.7","0.5","293","","293","","","","","","","","","4","","","","octane+urea inclusion compound","","","- C13.144 H40.074 N12 O6 -","","","6","","NA0114","Peral, I.; Madariaga, G.; Petricek, V.; Breczewski, T.","Superspace description of the structure of the composite crystal urea/n-octane at room temperature","Acta Crystallographica Section B","2001","57","3","378","385","10.1107/S0108768100020218","","","0.71073","MoKα","","0.0807","0.0551","","","","0.0633","","","","2.54","2.54","3.14","","","","has coordinates","176435","2020-10-21","18:00:00","" "2103658","9.4478","0.0004","11.7644","0.0004","25.9024","0.0012","90","","101.969","0.002","90","","2816.4","0.2","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1,4-Diazabicyclo[2.2.2]octane‒3,5-dihydroxybenzoic acid‒water (1/1/1)","","- C13 H20 N2 O5 -","- C13 H20 N2 O5 -","- C104 H160 N16 O40 -","8","2","NA0115","Burchell, Colin J.; Ferguson, George; Lough, Alan J.; Gregson, Richard M.; Glidewell, Christopher","Hydrated salts of 3,5-dihydroxybenzoic acid with organic diamines: hydrogen-bonded supramolecular structures in two and three dimensions","Acta Crystallographica Section B","2001","57","3","329","338","10.1107/S0108768100019832","","","0.71073","MoKα","","0.1039","0.0538","","","","0.1313","","","","","","1.045","","","","has coordinates,has Fobs","201972","2020-10-21","18:00:00","" "2103659","7.7793","0.0003","8.1656","0.0003","9.0662","0.0004","104.981","0.002","97.134","0.002","98.066","0.002","543.02","0.04","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","Piperazinee‒3,5-dihydroxybenzoic acid‒water (1/2/4)","","- C18 H30 N2 O12 -","- C18 H28.94 N2 O12 -","- C18 H28.94 N2 O12 -","1","0.5","NA0115","Burchell, Colin J.; Ferguson, George; Lough, Alan J.; Gregson, Richard M.; Glidewell, Christopher","Hydrated salts of 3,5-dihydroxybenzoic acid with organic diamines: hydrogen-bonded supramolecular structures in two and three dimensions","Acta Crystallographica Section B","2001","57","3","329","338","10.1107/S0108768100019832","","","0.71073","MoKα","","0.0433","0.037","","","","0.0957","","","","","","1.055","","","","has coordinates,has Fobs","176768","2020-10-21","18:00:00","" "2103660","8.0804","0.0003","10.6021","0.0006","11.3988","0.0006","90","","109.243","0.003","90","","921.97","0.08","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1,2-Diaminoethane‒3,5-dihydroxybenzoic acid‒water (1/2/2)","","- C16 H24 N2 O10 -","- C16 H23.496 N2 O10.004 -","- C32 H46.992 N4 O20.008 -","2","0.5","NA0115","Burchell, Colin J.; Ferguson, George; Lough, Alan J.; Gregson, Richard M.; Glidewell, Christopher","Hydrated salts of 3,5-dihydroxybenzoic acid with organic diamines: hydrogen-bonded supramolecular structures in two and three dimensions","Acta Crystallographica Section B","2001","57","3","329","338","10.1107/S0108768100019832","","","0.71073","MoKα","","0.0509","0.041","","","","0.1125","","","","","","1.056","","","","has coordinates,has Fobs","176768","2020-10-21","18:00:00","" "2103661","24.7736","0.0006","7.6525","0.0003","14.0096","0.0005","90","","114.375","0.0013","90","","2419.2","0.14","150","0.1","150","0.1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Triaqua-N-(6-amino-3,4-dihydro-3-methyl-5-nitroso-4-oxopyrimidine-2-yl) glycinatolithium,","","- C7 H14 Li N5 O7 -","- C7 H14 Li N5 O7 -","- C56 H112 Li8 N40 O56 -","8","1","NA0116","Low, John N.; Moreno Sánchez, Jose M.; Arranz Mascarós, Paloma; Godino Salido, M. Luz; López Garzon, Rafael; Cobo Domingo, Justo; Glidewell, Christopher","Hydrated metal complexes of N-(6-amino-3,4-dihydro-3-methyl-5-nitroso-4-oxopyrimidin-2-yl)glycinate: interplay of molecular, molecular‒electronic and supramolecular structures","Acta Crystallographica Section B","2001","57","3","317","328","10.1107/S0108768100020280","","","0.71073","MoKα","","0.0663","0.0449","","","","0.1214","","","","","","1.032","","","","has coordinates,has Fobs","176768","2020-10-21","18:00:00","" "2103662","7.5702","0.0001","11.5237","0.0002","13.3743","0.0003","104.435","0.0008","97.8415","0.0008","103.5","0.0007","1074.95","0.03","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","Triaqua-bis[N-(6-amino-3,4-dihydro-3-methyl-5-nitroso-4- oxopyrimidin-2-yl)glycinato]disodium","","- C7 H11 N5 Na O5.5 -","- C7 H11 N5 Na O5.5 -","- C28 H44 N20 Na4 O22 -","4","2","NA0116","Low, John N.; Moreno Sánchez, Jose M.; Arranz Mascarós, Paloma; Godino Salido, M. Luz; López Garzon, Rafael; Cobo Domingo, Justo; Glidewell, Christopher","Hydrated metal complexes of N-(6-amino-3,4-dihydro-3-methyl-5-nitroso-4-oxopyrimidin-2-yl)glycinate: interplay of molecular, molecular‒electronic and supramolecular structures","Acta Crystallographica Section B","2001","57","3","317","328","10.1107/S0108768100020280","","","0.71073","MoKα","","0.0601","0.0468","","","","0.1362","","","","","","1.041","","","","has coordinates","183154","2020-10-21","18:00:00","" "2103663","7.8114","0.0002","16.4811","0.0005","8.556","0.0002","90","","100.408","0.002","90","","1083.38","0.05","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Aqua-N-(6-amino-3,4-dihydro-3-methyl-5-nitroso-4- oxopyrimidin-2-yl)glycinatopotassium","","- C7 H10 K N5 O5 -","- C7 H10 K N5 O5 -","- C28 H40 K4 N20 O20 -","4","1","NA0116","Low, John N.; Moreno Sánchez, Jose M.; Arranz Mascarós, Paloma; Godino Salido, M. Luz; López Garzon, Rafael; Cobo Domingo, Justo; Glidewell, Christopher","Hydrated metal complexes of N-(6-amino-3,4-dihydro-3-methyl-5-nitroso-4-oxopyrimidin-2-yl)glycinate: interplay of molecular, molecular‒electronic and supramolecular structures","Acta Crystallographica Section B","2001","57","3","317","328","10.1107/S0108768100020280","","","0.71073","MoKα","","0.0583","0.0416","","","","0.1079","","","","","","1.072","","","","has coordinates,has Fobs","176768","2020-10-21","18:00:00","" "2103664","7.4476","0.0003","8.2351","0.0004","12.6372","0.0005","105.258","0.002","92.153","0.003","108.94","0.02","700.8","0.11","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","Tetraaqua-bis[N-(6-amino-3,4-dihydro-3-methyl-5-nitroso-4- oxopyrimidin-2-yl)glycinato]manganese(II) hexahydrate","","- C14 H36 Mn N10 O18 -","- C14 H36 Mn N10 O18 -","- C14 H36 Mn N10 O18 -","1","0.5","NA0116","Low, John N.; Moreno Sánchez, Jose M.; Arranz Mascarós, Paloma; Godino Salido, M. Luz; López Garzon, Rafael; Cobo Domingo, Justo; Glidewell, Christopher","Hydrated metal complexes of N-(6-amino-3,4-dihydro-3-methyl-5-nitroso-4-oxopyrimidin-2-yl)glycinate: interplay of molecular, molecular‒electronic and supramolecular structures","Acta Crystallographica Section B","2001","57","3","317","328","10.1107/S0108768100020280","","","0.71073","MoKα","","0.0457","0.04","","","","0.1066","","","","","","1.097","","","","has coordinates","176768","2020-10-21","18:00:00","" "2103665","14.185","0.006","14.185","0.006","10.978","0.001","90","","90","","120","","1913","1.2","293","","","","","","","","","","","4","","","","octanedioic acid+urea inclusion compound","","","- C13.144 H36.502 N12 O9.572 -","","","18","","NA0117","Peral, I.; Madariaga, G.; Petříček, V.; Breczewski, T.","Average structure of the composite crystal urea/octanedioic acid at room temperature within the superspace formalism","Acta Crystallographica Section B","2001","57","3","386","393","10.1107/S0108768101002166","","","0.71073","MoKα","","0.2089","0.0591","","","","0.0601","","","","6.05","6.05","8.84","","","","has coordinates","176435","2020-10-21","18:00:00","" "2103666","7.393","0.0004","19.95","0.001","12.163","0.0006","90","","97.77","0.004","90","","1777.45","0.16","120","2","120","2","","","","","","","","4","P 1 21 1","P 2yb","4","","(R,R)-(-)-O,O'-Dibenzoyltartaric acid monoamide","","- C18 H15.3 N O7.15 -","- C18 H14.85 N O7.15 -","- C72 H59.4 N4 O28.6 -","4","2","NA0118","Rychlewska, Urszula; Warżajtis, Beata","Interplay between dipolar, stacking and hydrogen-bond interactions in the crystal structures of unsymmetrically substituted esters, amides and nitriles of (R,R)-O,O'-dibenzoyltartaric acid","Acta Crystallographica Section B","2001","57","3","415","427","10.1107/S010876810100430X","","","0.71073","MoKα","","0.0805","0.0381","","","","0.072","","","","","","0.842","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00","" "2103667","8.7977","0.0008","10.752","0.001","20.177","0.002","90","","90","","90","","1908.6","0.3","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(R,R)-(-)-O,O'-Dibenzoyltartaric acid mono(N-methylamide)","","- C19 H19 N O8 -","- C19 H19 N O8 -","- C76 H76 N4 O32 -","4","1","NA0118","Rychlewska, Urszula; Warżajtis, Beata","Interplay between dipolar, stacking and hydrogen-bond interactions in the crystal structures of unsymmetrically substituted esters, amides and nitriles of (R,R)-O,O'-dibenzoyltartaric acid","Acta Crystallographica Section B","2001","57","3","415","427","10.1107/S010876810100430X","","","1.54178","CuKα","","0.0365","0.0275","","","","0.0755","","","","","","1.079","","","","has coordinates,has Fobs","201972","2020-10-21","18:00:00","" "2103668","8.6699","0.0006","12.0105","0.0007","18.657","0.001","90","","90","","90","","1942.8","0.2","120","2","120","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(R,R)-(-)-O,O'-Dibenzoyltartaric acid mono(N,N-dimethylamide)","","- C20 H19 N O7 -","- C20 H19 N O7 -","- C80 H76 N4 O28 -","4","1","NA0118","Rychlewska, Urszula; Warżajtis, Beata","Interplay between dipolar, stacking and hydrogen-bond interactions in the crystal structures of unsymmetrically substituted esters, amides and nitriles of (R,R)-O,O'-dibenzoyltartaric acid","Acta Crystallographica Section B","2001","57","3","415","427","10.1107/S010876810100430X","","","0.71073","MoKα","","0.0605","0.0509","","","","0.1173","","","","","","1.129","","","","has coordinates,has Fobs","201972","2020-10-21","18:00:00","" "2103669","8.9153","0.0006","11.758","0.001","17.976","0.001","90","","90","","90","","1884.4","0.2","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(R,R)-(-)-O,O'-Dibenzoyltartaric acid N,N-dimethyldiamide","","- C20 H20 N2 O6 -","- C20 H20 N2 O6 -","- C80 H80 N8 O24 -","4","1","NA0118","Rychlewska, Urszula; Warżajtis, Beata","Interplay between dipolar, stacking and hydrogen-bond interactions in the crystal structures of unsymmetrically substituted esters, amides and nitriles of (R,R)-O,O'-dibenzoyltartaric acid","Acta Crystallographica Section B","2001","57","3","415","427","10.1107/S010876810100430X","","","0.71073","MoKα","","0.0871","0.049","","","","0.0992","","","","","","0.977","","","","has coordinates,has Fobs","201972","2020-10-21","18:00:00","" "2103670","8.901","0.001","11.272","0.001","10.414","0.001","90","","99.47","0.01","90","","1030.62","0.18","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","(R,R)-(-)-O,O'-Dibenzoyltartaric acid N,N,N'-trimethyldiamide","","- C21 H22 N2 O6 -","- C21 H22 N2 O6 -","- C42 H44 N4 O12 -","2","1","NA0118","Rychlewska, Urszula; Warżajtis, Beata","Interplay between dipolar, stacking and hydrogen-bond interactions in the crystal structures of unsymmetrically substituted esters, amides and nitriles of (R,R)-O,O'-dibenzoyltartaric acid","Acta Crystallographica Section B","2001","57","3","415","427","10.1107/S010876810100430X","","","0.71073","MoKα","","0.0426","0.0305","","","","0.0837","","","","","","1.039","","","","has coordinates,has Fobs","201972","2020-10-21","18:00:00","" "2103671","7.193","0.001","14.515","0.002","18.083","0.002","90","","90","","90","","1888","0.4","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(R,R)-(-)-O,O'-Dibenzoyltartaric acid monoamide monomethylester","","- C19 H17 N O7 -","- C19 H17 N O7 -","- C76 H68 N4 O28 -","4","1","NA0118","Rychlewska, Urszula; Warżajtis, Beata","Interplay between dipolar, stacking and hydrogen-bond interactions in the crystal structures of unsymmetrically substituted esters, amides and nitriles of (R,R)-O,O'-dibenzoyltartaric acid","Acta Crystallographica Section B","2001","57","3","415","427","10.1107/S010876810100430X","","","0.71073","MoKα","","0.0465","0.0315","","","","0.0897","","","","","","1.045","","","","has coordinates,has Fobs","201972","2020-10-21","18:00:00","" "2103672","8.127","0.001","14.109","0.002","8.733","0.001","90","","97.97","0.01","90","","991.7","0.2","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","(R,R)-(-)-O,O'-Dibenzoyltartaric acid mono(N,N-dimethylamide) monomethylester","","- C21 H21 N O7 -","- C21 H21 N O7 -","- C42 H42 N2 O14 -","2","1","NA0118","Rychlewska, Urszula; Warżajtis, Beata","Interplay between dipolar, stacking and hydrogen-bond interactions in the crystal structures of unsymmetrically substituted esters, amides and nitriles of (R,R)-O,O'-dibenzoyltartaric acid","Acta Crystallographica Section B","2001","57","3","415","427","10.1107/S010876810100430X","","","1.54178","CuKα","","0.0341","0.0326","","","","0.0893","","","","","","1.062","","","","has coordinates,has Fobs","201972","2020-10-21","18:00:00","" "2103673","7.749","0.002","14.144","0.004","9.063","0.002","90","","110.34","0.02","90","","931.4","0.4","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","N,N-Dimethyl(2R,3S)-2,3-dibenzoyloxy-3-cyanopropanamide","","- C20 H18 N2 O5 -","- C20 H18 N2 O5 -","- C40 H36 N4 O10 -","2","1","NA0118","Rychlewska, Urszula; Warżajtis, Beata","Interplay between dipolar, stacking and hydrogen-bond interactions in the crystal structures of unsymmetrically substituted esters, amides and nitriles of (R,R)-O,O'-dibenzoyltartaric acid","Acta Crystallographica Section B","2001","57","3","415","427","10.1107/S010876810100430X","","","0.71073","MoKα","","0.0962","0.0435","","","","0.1065","","","","","","1.005","","","","has coordinates,has Fobs","201972","2020-10-21","18:00:00","" "2103674","18.873","0.002","6.5212","0.0009","4.998","0.0007","90","","90","","90","","615.13","0.14","110","2","110","2","","","","","","","","4","P c a 21","P 2c -2ac","29","meta-nitroaniline","3-nitro-phenylamine","","- C6 H6 N2 O2 -","- C6 H6 N2 O2 -","- C24 H24 N8 O8 -","4","1","NS0004","Wójcik, Grażyna; Holband, Jolanta","Variable-temperature crystal structure studies of m-nitroaniline","Acta Crystallographica Section B","2001","57","3","346","352","10.1107/S010876810100489X","","","0.71073","MoKα","","0.0413","0.0397","","","","0.108","","","","","","1.101","","","","has coordinates","201972","2020-10-21","18:00:00","" "2103675","14.636","0.008","21.637","0.01","23.45","0.03","90","","90","","90","","7426","11","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","Complex of (R)1,7-Dioxaspiro[5.5]undecane/ Hexakis(2,3,6-tri-O-methyl)-alpha-cyclodextrin","","","- C63 H119.65 O37.13 -","- C63 H121.66 O37.13 -","- C252 H486.64 O148.52 -","4","1","NS0005","Makedonopoulou, Stella; Yannakopoulou, Konstantina; Mentzafos, Demetrios; Lamzin, Victor; Popov, Alexander; Mavridis, Irene M.","Non-covalent interactions in the crystallization of the enantiomers of 1,7-dioxaspiro[5.5]undecane (olive fly sex pheromone) by enantiospecific cyclodextrin hosts, hexakis(2,3,6-tri-O-methyl)-α-cyclodextrin and heptakis(2,3,6-tri-O-methyl)-β-cyclodextrin","Acta Crystallographica Section B","2001","57","3","399","409","10.1107/S0108768101001963","","","0.55","","","0.0294","0.0289","","","","0.0823","","","","","","1.079","","","","has coordinates,has disorder","176768","2020-10-21","18:00:00","" "2103676","10.936","0.007","25.53","0.02","29.64","0.04","90","","90","","90","","8275","14","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","Complex of (S)1,7-Dioxaspiro[5.5]undecane/ Heptakis (2,3,6-tri-Omethyl)-beta-cyclodextrin","","","- C72 H129.14 O37.57 -","- C72 H137.39 O37.57 -","- C288 H549.56 O150.28 -","4","1","NS0005","Makedonopoulou, Stella; Yannakopoulou, Konstantina; Mentzafos, Demetrios; Lamzin, Victor; Popov, Alexander; Mavridis, Irene M.","Non-covalent interactions in the crystallization of the enantiomers of 1,7-dioxaspiro[5.5]undecane (olive fly sex pheromone) by enantiospecific cyclodextrin hosts, hexakis(2,3,6-tri-O-methyl)-α-cyclodextrin and heptakis(2,3,6-tri-O-methyl)-β-cyclodextrin","Acta Crystallographica Section B","2001","57","3","399","409","10.1107/S0108768101001963","","","0.65","","","0.0694","0.0624","","","","0.1831","","","","","","1.042","","","","has coordinates,has disorder","176768","2020-10-21","18:00:00","" "2103677","9.991","0.005","8.531","0.006","14.359","0.005","90","","90","","90","","1223.9","1.1","295","","295","","","","","","","","","5","P c a 21","P 2c -2ac","29","dinitratotripyrimidinecopper(II)","catena-dinitrato-[m-pyrimidine-N1:N3]-(pyrimidine-N1)-copper(II)","","- C8 H8 Cu N6 O6 -","- C8 H8 Cu N6 O6 -","- C32 H32 Cu4 N24 O24 -","4","1","OA0034","Yasui, Masanori; Ishikawa, Yoshimitsu; Akiyama, Naoya; Ishida, Takayuki; Nogami, Takashi; Iwasaki, Fujiko","Dipyrimidine‒copper(II) dinitrate complexes showing magnetic interactions","Acta Crystallographica Section B","2001","57","3","288","295","10.1107/S0108768101002737","","","0.71073","MoKα","","0.0303","0.0286","","","","0.0782","","","","","","1.038","","","","has coordinates,has Fobs","176768","2020-10-21","18:00:00","" "2103678","10","0.002","8.4519","0.0002","14.187","0.002","90","","90","","90","","1199.1","0.3","100","","100","","","","","","","","","5","P c a 21","P 2c -2ac","29","","catena-dinitrato-[m-pyrimidine-N1:N3]-(pyrimidine-N1)-copper(II)","","- C8 H8 Cu N6 O6 -","- C8 H8 Cu N6 O6 -","- C32 H32 Cu4 N24 O24 -","4","1","OA0034","Yasui, Masanori; Ishikawa, Yoshimitsu; Akiyama, Naoya; Ishida, Takayuki; Nogami, Takashi; Iwasaki, Fujiko","Dipyrimidine‒copper(II) dinitrate complexes showing magnetic interactions","Acta Crystallographica Section B","2001","57","3","288","295","10.1107/S0108768101002737","","","0.71073","MoKα","","0.0835","0.0384","","","","0.0339","","","","","","1.236","","","","has coordinates,has Fobs","176768","2020-10-21","18:00:00","" "2103679","12.408","0.008","11.511","0.009","7.518","0.009","90","","114.99","0.05","90","","973.3","1.6","294","","294","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","diaquadinitratodipyrimidinecopper(II)","catena-diaquadinitrato-[m-pyrimidine-N1:N1]-copper(II)","","- C4 H8 Cu N4 O8 -","- C4 H8 Cu N4 O8 -","- C16 H32 Cu4 N16 O32 -","4","0.5","OA0034","Yasui, Masanori; Ishikawa, Yoshimitsu; Akiyama, Naoya; Ishida, Takayuki; Nogami, Takashi; Iwasaki, Fujiko","Dipyrimidine‒copper(II) dinitrate complexes showing magnetic interactions","Acta Crystallographica Section B","2001","57","3","288","295","10.1107/S0108768101002737","","","0.71073","MoKα","","0.0292","0.0285","","","","0.0821","","","","","","1.152","","","","has coordinates,has Fobs","176768","2020-10-21","18:00:00","" "2103680","7.1658","0.0012","14.105","0.002","7.5358","0.0014","90","","114.324","0.012","90","","694.1","0.2","296","","296","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","diaquadinitratodipyrimidinecopper(II)","diaquadinitratodipyrimidinecopper(II)","","- C8 H12 Cu N6 O8 -","- C8 H12 Cu N6 O8 -","- C16 H24 Cu2 N12 O16 -","2","0.5","OA0034","Yasui, Masanori; Ishikawa, Yoshimitsu; Akiyama, Naoya; Ishida, Takayuki; Nogami, Takashi; Iwasaki, Fujiko","Dipyrimidine‒copper(II) dinitrate complexes showing magnetic interactions","Acta Crystallographica Section B","2001","57","3","288","295","10.1107/S0108768101002737","","","0.71073","MoKα","","0.0603","0.0517","","","","0.148","","","","","","1.079","","","","has coordinates,has Fobs","176768","2020-10-21","18:00:00","" "2103681","5.083","0.003","7.881","0.005","8.863","0.005","81.72","0.05","84.78","0.05","89.59","0.05","349.9","0.4","295","","","","","","","","","","","5","P 1","P 1","1","","","","- C8 H2 Cl4 K2 O8 -","- C8 H2 Cl4 K2 O8 -","- C8 H2 Cl4 K2 O8 -","1","1","OS0070","Olovsson, I.; Ptasiewicz-Bak, H.; Gustafsson, T.; Majerz, I.","Asymmetric hydrogen bonds in centrosymmetric environment: neutron study of very short hydrogen bonds in potassium hydrogen dichloromaleate","Acta Crystallographica Section B","2001","57","3","311","316","10.1107/S0108768101003779","","neutron","1.207","neutron","","","0.0638","","","","0.0817","","","","","","1.0383","","","","has coordinates","176768","2020-10-21","18:00:00","" "2103682","5.022","0.002","7.827","0.004","8.838","0.004","80.99","0.02","85.13","0.02","88.95","0.02","341.9","0.3","30","","","","","","","","","","","5","P 1","P 1","1","","","","- C8 H2 Cl4 K2 O8 -","- C8 H2 Cl4 K2 O8 -","- C8 H2 Cl4 K2 O8 -","1","1","OS0070","Olovsson, I.; Ptasiewicz-Bak, H.; Gustafsson, T.; Majerz, I.","Asymmetric hydrogen bonds in centrosymmetric environment: neutron study of very short hydrogen bonds in potassium hydrogen dichloromaleate","Acta Crystallographica Section B","2001","57","3","311","316","10.1107/S0108768101003779","","neutron","1.207","neutron","","","0.058","","","","0.0805","","","","","","1.7718","","","","has coordinates","176768","2020-10-21","18:00:00","" "2103683","23.51","0.004","23.51","0.004","5.025","0.001","90","","90","","90","","2777.4","0.9","170","0.5","","","","","","","","","","4","P 21 21 2","P 2 2ab","18","","","","- Ca2 Co O7 Si2 -","- Ca2 Co O7 Si2 -","- Ca36 Co18 O126 Si36 -","18","4.5","SN0009","Hagiya, Kenji; Kusaka, Katsuhiro; Ohmasa, Masaaki; Iishi, Kazuaki","Commensurate structure of Ca~2~CoSi~2~O~7~, a new twinned orthorhombic structure","Acta Crystallographica Section B","2001","57","3","271","277","10.1107/S010876810100101X","","","0.71073","MoKα","","0.084","0.084","","0.139","","0.139","","","","","","1.21","","","","has coordinates","176768","2020-10-21","18:00:00","" "2103684","12.6551","0.0018","12.6551","0.0018","8.734","0.0017","90","","90","","90","","1398.8","0.4","150","","150","","","","","","","","","4","P 42/n c m :2","-P 4ac 2ac","138","","","","- C10 H8 Br4 O4 -","- C10 H8 Br4 O4 -","- C40 H32 Br16 O16 -","4","0.25","BM0041","Bilton, Clair; Howard, Judith A. K.; Madhavi, N. N. L.; Desiraju, Gautam R.; Allen, Frank H.; Wilson, Chick C.","Crystal engineering in the gem-alkynol family: the key role of water in the structure of 2,3,5,6-tetrabromo-trans-1,4-diethynyl-cyclohexa-2,5-diene-1,4-diol dihydrate determined by X-ray and neutron diffraction at 150K","Acta Crystallographica Section B","2001","57","4","560","566","10.1107/S0108768101008412","","neutron","","neutron","","0.0607","0.0607","","","","0.0819","","","","","","6.188","","","","has coordinates","176768","2020-10-21","18:00:00","" "2103685","12.6551","0.0018","12.6551","0.0018","8.734","0.0017","90","","90","","90","","1398.8","0.4","150","","150","","","","","","","","","4","P 42/n c m :2","-P 4ac 2ac","138","","","","- C10 H8 Br4 O4 -","- C10 H8 Br4 O4 -","- C40 H32 Br16 O16 -","4","0.25","BM0041","Bilton, Clair; Howard, Judith A. K.; Madhavi, N. N. L.; Desiraju, Gautam R.; Allen, Frank H.; Wilson, Chick C.","Crystal engineering in the gem-alkynol family: the key role of water in the structure of 2,3,5,6-tetrabromo-trans-1,4-diethynyl-cyclohexa-2,5-diene-1,4-diol dihydrate determined by X-ray and neutron diffraction at 150K","Acta Crystallographica Section B","2001","57","4","560","566","10.1107/S0108768101008412","","","0.71073","MoKα","","0.0219","0.0201","","","","0.0532","","","","","","1.224","","","","has coordinates,has Fobs","176768","2020-10-21","18:00:00","" "2103686","13.089","0.002","5.329","0.001","15.921","0.006","90","0.2","108.57","0.02","90","0.2","1052.7","0.5","100","5","100","5","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Δ,L-Alanyl-L,D-methionine","","- C8 H16 N2 O3 S -","- C8 H16 N2 O3 S -","- C32 H64 N8 O12 S4 -","4","1","BM0043","Guillot, Régis; Muzet, Nicolas; Dahaoui, Slimane; Lecomte, Claude; Jelsch, Christian","Experimental and theoretical charge density of DL-alanyl-methionine","Acta Crystallographica Section B","2001","57","4","567","578","10.1107/S0108768101007212","","","0.7107","MoKα","","0.0302","0.0302","","","","0.0253","","","","","","1.52","","","","has coordinates","201972","2020-10-21","18:00:00","" "2103687","10.8901","0.0017","7.8842","0.0013","8.0619","0.0013","90","","104.228","0.003","90","","670.96","0.19","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Li2(1,5NDS).2H2O","Dilithium 1,5-naphthalenedisulfonate dihydrate","","- C10 H10 Li2 O8 S2 -","- C10 H10 Li2 O8 S2 -","- C20 H20 Li4 O16 S4 -","2","0.5","BM0044","Cai, Jiwen; Chen, Cai-Hong; Liao, Cheng-Zhu; Feng, Xiao-Long; Chen, Xiao-Ming","Solid-state structures of group 1 and group 2 metal 1,5-naphthalenedisulfonates: systematic investigation of lamellar three-dimensional networks constructed by metal arenedisulfonate","Acta Crystallographica Section B","2001","57","4","520","530","10.1107/S010876810100862X","","","0.71073","MoKα","","0.0386","0.0349","","","","0.1006","","","","","","1.11","","","","has coordinates,has Fobs","176768","2020-10-21","18:00:00","" "2103688","11.6398","0.0017","5.5507","0.0008","10.7148","0.0016","90","","96.187","0.003","90","","688.24","0.17","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Na2(1,5NDS).2H2O","disodium 1,5-naphthalenedisulfonate hihydrate","","- C10 H10 Na2 O8 S2 -","- C10 H10 Na2 O8 S2 -","- C20 H20 Na4 O16 S4 -","2","0.5","BM0044","Cai, Jiwen; Chen, Cai-Hong; Liao, Cheng-Zhu; Feng, Xiao-Long; Chen, Xiao-Ming","Solid-state structures of group 1 and group 2 metal 1,5-naphthalenedisulfonates: systematic investigation of lamellar three-dimensional networks constructed by metal arenedisulfonate","Acta Crystallographica Section B","2001","57","4","520","530","10.1107/S010876810100862X","","","0.71073","MoKα","","0.0344","0.0311","","","","0.0918","","","","","","1.056","","","","has coordinates,has Fobs","176768","2020-10-21","18:00:00","" "2103689","11.0278","0.0018","8.5748","0.0014","7.9845","0.0013","90","","102.631","0.003","90","","736.8","0.2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","K2(1,5NDS).2H2O","dipotassium 1,5-naphthalenedisulfonate dihydrate","","- C10 H10 K2 O8 S2 -","- C10 H10 K2 O8 S2 -","- C20 H20 K4 O16 S4 -","2","0.5","BM0044","Cai, Jiwen; Chen, Cai-Hong; Liao, Cheng-Zhu; Feng, Xiao-Long; Chen, Xiao-Ming","Solid-state structures of group 1 and group 2 metal 1,5-naphthalenedisulfonates: systematic investigation of lamellar three-dimensional networks constructed by metal arenedisulfonate","Acta Crystallographica Section B","2001","57","4","520","530","10.1107/S010876810100862X","","","0.71073","MoKα","","0.0379","0.033","","","","0.0939","","","","","","1.099","","","","has coordinates,has Fobs","176768","2020-10-21","18:00:00","" "2103690","13.1955","0.0008","6.6981","0.0004","9.6616","0.0006","90","","92.304","0.001","90","","853.25","0.09","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Mg(H2O)6(C10H6(SO3)2)","(hexaaqua)-magnesium(II) 1,5-naphthalenedisulfonate","","- C10 H18 Mg O12 S2 -","- C10 H18 Mg O12 S2 -","- C20 H36 Mg2 O24 S4 -","2","0.5","BM0044","Cai, Jiwen; Chen, Cai-Hong; Liao, Cheng-Zhu; Feng, Xiao-Long; Chen, Xiao-Ming","Solid-state structures of group 1 and group 2 metal 1,5-naphthalenedisulfonates: systematic investigation of lamellar three-dimensional networks constructed by metal arenedisulfonate","Acta Crystallographica Section B","2001","57","4","520","530","10.1107/S010876810100862X","","","0.71073","MoKα","","0.0301","0.0282","","","","0.0858","","","","","","1.049","","","","has coordinates,has Fobs","176768","2020-10-21","18:00:00","" "2103691","7.8971","0.0008","8.175","0.0008","11.2358","0.0011","73.945","0.002","83.063","0.002","83.435","0.002","689.48","0.12","293","2","293","2","","","","","","","","5","P -1","-P 1","2","Ca(1,5NDS).2H2O","calcium 1,5-naphthalenedisulfonate dihydrate","","- C10 H10 Ca O8 S2 -","- C10 H10 Ca O8 S2 -","- C20 H20 Ca2 O16 S4 -","2","1","BM0044","Cai, Jiwen; Chen, Cai-Hong; Liao, Cheng-Zhu; Feng, Xiao-Long; Chen, Xiao-Ming","Solid-state structures of group 1 and group 2 metal 1,5-naphthalenedisulfonates: systematic investigation of lamellar three-dimensional networks constructed by metal arenedisulfonate","Acta Crystallographica Section B","2001","57","4","520","530","10.1107/S010876810100862X","","","0.71073","MoKα","","0.0376","0.0343","","","","0.1011","","","","","","1.086","","","","has coordinates,has Fobs","176768","2020-10-21","18:00:00","" "2103692","9.5424","0.0011","21.705","0.002","5.8137","0.0007","90","","90","","90","","1204.1","0.2","293","2","293","2","","","","","","","","5","P n m a","-P 2ac 2n","62","Sr(1,5NDS).H2O","strontium 1,5-naphthalenedisulfonate monohydrate","","- C10 H8 O7 S2 Sr -","- C10 H8 O7 S2 Sr -","- C40 H32 O28 S8 Sr4 -","4","0.5","BM0044","Cai, Jiwen; Chen, Cai-Hong; Liao, Cheng-Zhu; Feng, Xiao-Long; Chen, Xiao-Ming","Solid-state structures of group 1 and group 2 metal 1,5-naphthalenedisulfonates: systematic investigation of lamellar three-dimensional networks constructed by metal arenedisulfonate","Acta Crystallographica Section B","2001","57","4","520","530","10.1107/S010876810100862X","","","0.71073","MoKα","","0.0295","0.0225","","","","0.059","","","","","","1.029","","","","has coordinates,has Fobs","176768","2020-10-21","18:00:00","" "2103693","9.7662","0.0014","22.08","0.003","5.987","0.0008","90","","90","","90","","1291","0.3","293","2","293","2","","","","","","","","5","P n m a","-P 2ac 2n","62","Ba(1,5NDS).H2O","barium 1,5-naphthalenedisulfonate monohydrate","","- C10 H8 Ba O7 S2 -","- C10 H8 Ba O7 S2 -","- C40 H32 Ba4 O28 S8 -","4","0.5","BM0044","Cai, Jiwen; Chen, Cai-Hong; Liao, Cheng-Zhu; Feng, Xiao-Long; Chen, Xiao-Ming","Solid-state structures of group 1 and group 2 metal 1,5-naphthalenedisulfonates: systematic investigation of lamellar three-dimensional networks constructed by metal arenedisulfonate","Acta Crystallographica Section B","2001","57","4","520","530","10.1107/S010876810100862X","","","0.71073","MoKα","","0.0273","0.0226","","","","0.0556","","","","","","1.013","","","","has coordinates,has Fobs","176768","2020-10-21","18:00:00","" "2103694","7.758","0.001","15.55","0.002","17.179","0.002","90","","110.72","0.01","90","","1938.4","0.4","293","1","293","1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","7-b-(2,4-dinitrophenyl)fluoradene","","- C25 H14 N2 O4 -","- C25 H14 N2 O4 -","- C100 H56 N8 O16 -","4","1","BS0015","Xia, Aibing; Selegue, John P.; Carrillo, Alberto; Patrick, Brian O.; Parkin, Sean; Brock, Carolyn Pratt","Two fluoradene derivatives: pseudosymmetry, eccentric ellipsoids and a phase transition","Acta Crystallographica Section B","2001","57","4","507","516","10.1107/S0108768101008631","","","0.71073","MoKα","","0.088","0.066","","","","0.167","","","","","","1.06","","","","has coordinates,has Fobs","201972","2020-10-21","18:00:00","" "2103695","15.444","0.003","15.513","0.004","17.111","0.004","90","","110.04","0.01","90","","3851.3","1.6","295","1","295","1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","7b-(2,4-dinitrophenyl)fluoradene","","- C25 H14 N2 O4 -","- C25 H14 N2 O4 -","- C200 H112 N16 O32 -","8","2","BS0015","Xia, Aibing; Selegue, John P.; Carrillo, Alberto; Patrick, Brian O.; Parkin, Sean; Brock, Carolyn Pratt","Two fluoradene derivatives: pseudosymmetry, eccentric ellipsoids and a phase transition","Acta Crystallographica Section B","2001","57","4","507","516","10.1107/S0108768101008631","","","0.71073","MoKα","","0.132","0.076","","","","0.191","","","","","","1.06","","","","has coordinates,has Fobs","201972","2020-10-21","18:00:00","" "2103696","15.383","0.002","15.424","0.003","17.026","0.003","90","","109.31","0.01","90","","3812.5","1.1","273","1","273","1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","7-b-(2,4-dinitrophenyl)fluoradene","","- C25 H14 N2 O4 -","- C25 H14 N2 O4 -","- C200 H112 N16 O32 -","8","2","BS0015","Xia, Aibing; Selegue, John P.; Carrillo, Alberto; Patrick, Brian O.; Parkin, Sean; Brock, Carolyn Pratt","Two fluoradene derivatives: pseudosymmetry, eccentric ellipsoids and a phase transition","Acta Crystallographica Section B","2001","57","4","507","516","10.1107/S0108768101008631","","","0.71073","MoKα","","0.081","0.052","","","","0.13","","","","","","1.06","","","","has coordinates,has Fobs","201972","2020-10-21","18:00:00","" "2103697","15.372","0.002","15.414","0.003","17.004","0.003","90","","109.24","0.01","90","","3804","1.1","250","1","250","1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","7b-(2,4-dinitrophenyl)fluoradene","","- C25 H14 N2 O4 -","- C25 H14 N2 O4 -","- C200 H112 N16 O32 -","8","2","BS0015","Xia, Aibing; Selegue, John P.; Carrillo, Alberto; Patrick, Brian O.; Parkin, Sean; Brock, Carolyn Pratt","Two fluoradene derivatives: pseudosymmetry, eccentric ellipsoids and a phase transition","Acta Crystallographica Section B","2001","57","4","507","516","10.1107/S0108768101008631","","","0.71073","MoKα","","0.078","0.051","","","","0.126","","","","","","1.06","","","","has coordinates,has Fobs","201972","2020-10-21","18:00:00","" "2103698","8.012","0.001","16.171","0.002","18.28","0.002","80.78","0.01","83.45","0.01","84.07","0.01","2313.8","0.5","294","1","294","1","","","","","","","","3","P -1","-P 1","2","","7b-triisopropylsilylfluoradene","","- C28 H32 Si -","- C28.0015 H32 Si -","- C112.006 H128 Si4 -","4","2","BS0015","Xia, Aibing; Selegue, John P.; Carrillo, Alberto; Patrick, Brian O.; Parkin, Sean; Brock, Carolyn Pratt","Two fluoradene derivatives: pseudosymmetry, eccentric ellipsoids and a phase transition","Acta Crystallographica Section B","2001","57","4","507","516","10.1107/S0108768101008631","","","0.71073","MoKα","","0.063","0.055","","","","0.144","","","","","","1.06","","","","has coordinates,has disorder,has Fobs","176768","2020-10-21","18:00:00","" "2103699","7.722","0.002","15.513","0.004","17.111","0.004","90","","110.04","0.01","90","","1925.6","0.8","295","1","295","1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","7b-(2,4-dinitrophenyl)fluoradene","","- C25 H14 N2 O4 -","- C25 H14 N2 O4 -","- C100 H56 N8 O16 -","4","1","BS0015","Xia, Aibing; Selegue, John P.; Carrillo, Alberto; Patrick, Brian O.; Parkin, Sean; Brock, Carolyn Pratt","Two fluoradene derivatives: pseudosymmetry, eccentric ellipsoids and a phase transition","Acta Crystallographica Section B","2001","57","4","507","516","10.1107/S0108768101008631","","","0.71073","MoKα","","0.113","0.086","","","","0.185","","","","","","1.03","","","","has coordinates,has Fobs","201972","2020-10-21","18:00:00","" "2103700","8.012","0.001","16.171","0.002","18.28","0.002","80.78","0.01","83.45","0.01","84.07","0.01","2313.8","0.5","294","1","294","1","","","","","","","","3","B -1","-P 1 (-1/2*x+1/2*z,-y,1/2*x+1/2*z)","2","","7b-triisopropylsilylfluoradene","","- C28 H32 Si -","- C28.006 H32 Si -","- C112.024 H128 Si4 -","4","","BS0015","Xia, Aibing; Selegue, John P.; Carrillo, Alberto; Patrick, Brian O.; Parkin, Sean; Brock, Carolyn Pratt","Two fluoradene derivatives: pseudosymmetry, eccentric ellipsoids and a phase transition","Acta Crystallographica Section B","2001","57","4","507","516","10.1107/S0108768101008631","","","0.71073","MoKα","","0.088","0.082","","","","0.206","","","","","","1.03","","","","has coordinates,has disorder,has Fobs","176432","2020-10-21","18:00:00","" "2103701","16.0665","0.0015","12.5929","0.0011","9.644","0.0011","90","","94.626","0.009","90","","1944.9","0.3","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","[(R)-1-cyanoethyl](pyridine)bis(dimethylglyoximato)cobalt(III) initial","","- C16 H23 Co N6 O4 -","- C16 H23 Co N6 O4 -","- C64 H92 Co4 N24 O16 -","4","2","BS0016","Ohhara, Takashi; Uekusa, Hidehiro; Ohashi, Yuji; Tanaka, Ichiro; Kumazawa, Shintaro; Niimura, Nobuo","Direct observation of deuterium migration in crystalline-state reaction by single-crystal neutron diffraction. III. Photoracemization of 1-cyanoethyl cobaloxime complexes","Acta Crystallographica Section B","2001","57","4","551","559","10.1107/S0108768101006838","","","0.71073","MoKα","","0.0911","0.0522","","","","0.1733","","","","","","1.019","","","","has coordinates,has Fobs","176768","2020-10-21","18:00:00","" "2103702","16.023","0.005","12.6272","0.0018","9.628","0.002","90","","94.23","0.02","90","","1942.7","0.8","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","[(R)-1-cyanoethyl](pyridine)bis(dimethylglyoximato)cobalt(III) irradiated","","- C16 H23 Co N6 O4 -","- C16 H23 Co N6 O4 -","- C64 H92 Co4 N24 O16 -","4","2","BS0016","Ohhara, Takashi; Uekusa, Hidehiro; Ohashi, Yuji; Tanaka, Ichiro; Kumazawa, Shintaro; Niimura, Nobuo","Direct observation of deuterium migration in crystalline-state reaction by single-crystal neutron diffraction. III. Photoracemization of 1-cyanoethyl cobaloxime complexes","Acta Crystallographica Section B","2001","57","4","551","559","10.1107/S0108768101006838","","","0.71073","MoKα","","0.1137","0.0438","","","","0.155","","","","","","1.02","","","","has coordinates,has disorder,has Fobs","176768","2020-10-21","18:00:00","" "2103703","16.023","0.005","12.627","0.002","9.628","0.002","90","","94.23","0.02","90","","1942.7","0.8","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","[(R)-1-cyanoethyl](pyridine)bis(dimethylglyoximato)cobalt(III) irradiated","","- C16 H22 Co D N6 O4 -","- C16 H22 Co D N6 O4 -","- C64 H88 Co4 D4 N24 O16 -","4","2","BS0016","Ohhara, Takashi; Uekusa, Hidehiro; Ohashi, Yuji; Tanaka, Ichiro; Kumazawa, Shintaro; Niimura, Nobuo","Direct observation of deuterium migration in crystalline-state reaction by single-crystal neutron diffraction. III. Photoracemization of 1-cyanoethyl cobaloxime complexes","Acta Crystallographica Section B","2001","57","4","551","559","10.1107/S0108768101006838","","neutron","1.06","Neutron","","0.1321","0.132","","0.3278","0.3276","","","","3.303","3.311","3.311","","","","","has coordinates,has disorder,has Fobs","176768","2020-10-21","18:00:00","" "2103704","11.4309","0.0012","11.6591","0.0006","30.701","0.003","90","","90","","90","","4091.6","0.6","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","[(R,S)-1-cyanoethyl](piperidine)bis(dimethylglyoximato)cobalt(III) initial","","- C16 H29 Co N6 O4 -","- C16 H29 Co N6 O4 -","- C128 H232 Co8 N48 O32 -","8","2","BS0016","Ohhara, Takashi; Uekusa, Hidehiro; Ohashi, Yuji; Tanaka, Ichiro; Kumazawa, Shintaro; Niimura, Nobuo","Direct observation of deuterium migration in crystalline-state reaction by single-crystal neutron diffraction. III. Photoracemization of 1-cyanoethyl cobaloxime complexes","Acta Crystallographica Section B","2001","57","4","551","559","10.1107/S0108768101006838","","","0.71073","MoKα","","0.0893","0.0837","","","","0.2523","","","","","","1.766","","","","has coordinates,has Fobs","176768","2020-10-21","18:00:00","" "2103705","11.4039","0.0002","11.7354","0.0002","30.7446","0.0001","90","","90","","90","","4114.53","0.1","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","[(R,S)-1-cyanoethyl](piperidine)bis(dimethylglyoximato)cobalt(III) irradiated","","- C16 H29 Co N6 O4 -","- C16 H29 Co N6 O4 -","- C128 H232 Co8 N48 O32 -","8","2","BS0016","Ohhara, Takashi; Uekusa, Hidehiro; Ohashi, Yuji; Tanaka, Ichiro; Kumazawa, Shintaro; Niimura, Nobuo","Direct observation of deuterium migration in crystalline-state reaction by single-crystal neutron diffraction. III. Photoracemization of 1-cyanoethyl cobaloxime complexes","Acta Crystallographica Section B","2001","57","4","551","559","10.1107/S0108768101006838","","","0.71073","MoKα","","0.0842","0.0454","","","","0.0966","","","","","","1.011","","","","has coordinates,has disorder,has Fobs","176768","2020-10-21","18:00:00","" "2103706","11.4039","0.0002","11.7354","0.0001","30.7446","0.0002","90","","90","","90","","4114.53","0.08","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","[(R,S)-1-cyanoethyl](piperidine)bis(dimethylglyoximato)cobalt(III) irradiated","","- C16 H28 Co D N6 O4 -","- C16 H28 Co D N6 O4 -","- C128 H224 Co8 D8 N48 O32 -","8","2","BS0016","Ohhara, Takashi; Uekusa, Hidehiro; Ohashi, Yuji; Tanaka, Ichiro; Kumazawa, Shintaro; Niimura, Nobuo","Direct observation of deuterium migration in crystalline-state reaction by single-crystal neutron diffraction. III. Photoracemization of 1-cyanoethyl cobaloxime complexes","Acta Crystallographica Section B","2001","57","4","551","559","10.1107/S0108768101006838","","neutron","1.06","Neutron","","0.1043","0.1036","","","","0.268","","","","","","1.158","","","","has coordinates,has disorder,has Fobs","176768","2020-10-21","18:00:00","" "2103707","11.693","0.002","7.225","0.001","7.902","0.002","90","","103.7","0.03","90","","648.6","0.2","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","cis(1R*,2S*)-2-hydroxy-1-cyclopentanecarboxamide","","- C6 H11 N O2 -","- C6 H11 N O2 -","- C24 H44 N4 O8 -","4","1","DE0011","Kálmán, Alajos; Argay, Gyula; Fábián, László; Bernáth, Gábor; Fülöp, Ferenc","Basic forms of supramolecular self-assembly organized by parallel and antiparallel hydrogen bonds in the racemic crystal structures of six disubstituted and trisubstituted cyclopentane derivatives","Acta Crystallographica Section B","2001","57","4","539","550","10.1107/S0108768101006723","","","1.54178","CuKα","","0.0437","0.0406","","","","0.1272","","","","","","1.138","","","","has coordinates,has Fobs","201972","2020-10-21","18:00:00","" "2103708","9.879","0.002","8.41","0.002","8.25","0.002","90","","90","","90","","685.4","0.3","293","2","293","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","trans(1S*,2S*)-2-hydroxy-1-cyclopentanecarboxamide","","- C6 H11 N O2 -","- C6 H11 N O2 -","- C24 H44 N4 O8 -","4","1","DE0011","Kálmán, Alajos; Argay, Gyula; Fábián, László; Bernáth, Gábor; Fülöp, Ferenc","Basic forms of supramolecular self-assembly organized by parallel and antiparallel hydrogen bonds in the racemic crystal structures of six disubstituted and trisubstituted cyclopentane derivatives","Acta Crystallographica Section B","2001","57","4","539","550","10.1107/S0108768101006723","","","1.54178","CuKα","","0.0479","0.034","","","","0.1133","","","","","","0.86","","","","has coordinates,has Fobs","201972","2020-10-21","18:00:00","" "2103709","13.246","0.005","6.988","0.002","13.299","0.006","90","","113.78","0.08","90","","1126.5","1","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(1S*,2S*,4R*)-4-tert-butyl-2-hydroxy-1-cyclopentanecarboxamide","","- C10 H19 N O2 -","- C10 H19 N O2 -","- C40 H76 N4 O8 -","4","1","DE0011","Kálmán, Alajos; Argay, Gyula; Fábián, László; Bernáth, Gábor; Fülöp, Ferenc","Basic forms of supramolecular self-assembly organized by parallel and antiparallel hydrogen bonds in the racemic crystal structures of six disubstituted and trisubstituted cyclopentane derivatives","Acta Crystallographica Section B","2001","57","4","539","550","10.1107/S0108768101006723","","","0.7107","MoKα","","0.1804","0.0502","","","","0.1657","","","","","","0.948","","","","has coordinates","176435","2020-10-21","18:00:00","" "2103710","5.931","0.001","6.2","0.001","15.951","0.003","84.3","0.04","89.97","0.04","62.28","0.04","516","0.3","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","(1R*,2S*,4R*)-4-tert-butyl-2-hydroxy-1-cyclopentanecarboxylic acid","","- C10 H18 O3 -","- C10 H18 O3 -","- C20 H36 O6 -","2","1","DE0011","Kálmán, Alajos; Argay, Gyula; Fábián, László; Bernáth, Gábor; Fülöp, Ferenc","Basic forms of supramolecular self-assembly organized by parallel and antiparallel hydrogen bonds in the racemic crystal structures of six disubstituted and trisubstituted cyclopentane derivatives","Acta Crystallographica Section B","2001","57","4","539","550","10.1107/S0108768101006723","","","0.7107","MoKα","","0.091","0.0477","","","","0.1776","","","","","","1.147","","","","has coordinates,has Fobs","176768","2020-10-21","18:00:00","" "2103711","16.862","0.002","6.104","0.001","10.519","0.003","90","","107.03","0.04","90","","1035.2","0.4","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","(1S*,2R*,4R*)-4-tert-butyl-2-hydroxy-1-cyclopentanecarboxylic acid","","- C10 H18 O3 -","- C10 H18 O3 -","- C40 H72 O12 -","4","1","DE0011","Kálmán, Alajos; Argay, Gyula; Fábián, László; Bernáth, Gábor; Fülöp, Ferenc","Basic forms of supramolecular self-assembly organized by parallel and antiparallel hydrogen bonds in the racemic crystal structures of six disubstituted and trisubstituted cyclopentane derivatives","Acta Crystallographica Section B","2001","57","4","539","550","10.1107/S0108768101006723","","","1.54178","CuKα","","0.0732","0.0541","","","","0.1688","","","","","","0.951","","","","has coordinates,has Fobs","176768","2020-10-21","18:00:00","" "2103712","6.17","0.002","21.749","0.002","7.892","0.001","90","","105.57","0.04","90","","1020.2","0.4","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","(1S*,2R*,5R*)-5-tert-butyl-2-hydroxy-1-cyclopentanecarboxylic acid","","- C10 H18 O3 -","- C10 H18 O3 -","- C40 H72 O12 -","4","1","DE0011","Kálmán, Alajos; Argay, Gyula; Fábián, László; Bernáth, Gábor; Fülöp, Ferenc","Basic forms of supramolecular self-assembly organized by parallel and antiparallel hydrogen bonds in the racemic crystal structures of six disubstituted and trisubstituted cyclopentane derivatives","Acta Crystallographica Section B","2001","57","4","539","550","10.1107/S0108768101006723","","","0.7107","MoKα","","0.0976","0.0474","","","","0.1875","","","","","","0.932","","","","has coordinates,has Fobs","201972","2020-10-21","18:00:00","" "2103713","3.387","0.001","3.387","0.001","6.703","0.002","90","","90","","120","","66.59","0.01","293","","293","","","","","","","","","3","","","","","","","- C3.2 B1.1 Sc2 -","","","1","","JS0110","Onoda, Mitsuko; Shi, Ying; Leithe-Jasper, A.; Tanaka, Takaho","Structure refinement of the layered composite crystal Sc~2~B~1.1~C~3.2~ in a five-dimensional formalism","Acta Crystallographica Section B","2001","57","4","449","457","10.1107/S0108768101006607","","","0.7093","MoKα","","","0.053","","","0.048","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00","" "2103714","7.019","0.002","7.472","0.002","9.498","0.002","90","","99.94","0.02","90","","490.7","0.2","120","","120","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Copper(II) Hydrogenmalonate Dihydrate","","- C6 H10 Cu O10 -","- C6 H10 Cu O10 -","- C12 H20 Cu2 O20 -","2","0.5","LC0029","Lenstra, A. T. H.; Kataeva, O. N.","Structures of copper(II) and manganese(II) di(hydrogen malonate) dihydrate; effects of intensity profile truncation and background modelling on structure models","Acta Crystallographica Section B","2001","57","4","497","506","10.1107/S0108768101004050","","","0.71073","Mo-Kα","","0.073","0.048","","0.041","","0.052","","","3.059","","","4.862","","","","has coordinates,has Fobs","176768","2020-10-21","18:00:00","" "2103715","7.0655","0.0007","7.5017","0.0008","9.676","0.001","90","","100.88","0.02","90","","503.64","0.1","294","","294","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Copper(II) bis(hydrogenmalonate) dihydrate","","- C6 H10 Cu O10 -","- C6 H10 Cu O10 -","- C12 H20 Cu2 O20 -","2","0.5","LC0029","Lenstra, A. T. H.; Kataeva, O. N.","Structures of copper(II) and manganese(II) di(hydrogen malonate) dihydrate; effects of intensity profile truncation and background modelling on structure models","Acta Crystallographica Section B","2001","57","4","497","506","10.1107/S0108768101004050","","","0.71073","Mo-Kα","","0.083","0.083","","0.065","","0.064","","","4.114","","","4.108","","","","has coordinates,has Fobs","176768","2020-10-21","18:00:00","" "2103716","7.0909","0.0007","7.3518","0.0007","9.577","0.001","90","","99.73","0.02","90","","492.08","0.09","294","","294","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Manganese(II) Bis(hydrogenmalonate) Dihydrate","","- C6 H10 Mn O10 -","- C6 H10 Mn O10 -","- C12 H20 Mn2 O20 -","2","0.5","LC0029","Lenstra, A. T. H.; Kataeva, O. N.","Structures of copper(II) and manganese(II) di(hydrogen malonate) dihydrate; effects of intensity profile truncation and background modelling on structure models","Acta Crystallographica Section B","2001","57","4","497","506","10.1107/S0108768101004050","","","0.71073","Mo-Kα","","0.208","0.06","","0.041","","0.051","","","3.059","","","3.561","","","","has coordinates,has Fobs","176768","2020-10-21","18:00:00","" "2103717","12.1966","0.0011","17.9677","0.0013","10.5667","0.0008","90","","90.555","0.005","90","","2315.5","0.3","0","","","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C18 H30 B2 Cl6 F8 Fe N24 -","- C18 H30 B2 Cl6 F8 Fe N24 -","- C36 H60 B4 Cl12 F16 Fe2 N48 -","2","0.5","NA0120","Dova, Eva; Stassen, Arno F.; Driessen, René A. J.; Sonneveld, Ed; Goubitz, Kees; Peschar, René; Haasnoot, Jaap G.; Reedijk, Jan; Schenk, Henk","Structure determination of the [Fe(teec)~6~](BF~4~)~2~ metal complex from laboratory and synchrotron X-ray powder diffraction data with grid-search techniques","Acta Crystallographica Section B","2001","57","4","531","538","10.1107/S010876810100828X","","","0.99542","??Kα","","","","","","","","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00","" "2103718","8.279","0.001","10.184","0.001","5.353","0.002","99.72","0.02","104.05","0.02","87.73","0.01","431.54","0.18","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","2-aminopyridinium hydrogen squarate, 1:1","","- C8 H7 N3 O4 -","- C8 H7 N3 O4 -","- C16 H14 N6 O8 -","2","1","NA0121","Bertolasi, Valerio; Gilli, Paola; Ferretti, Valeria; Gilli, Gastone","General rules for the packing of hydrogen-bonded crystals as derived from the analysis of squaric acid anions: aminoaromatic nitrogen base co-crystals","Acta Crystallographica Section B","2001","57","4","591","598","10.1107/S010876810100814X","","","0.71073","MoKα","","0.0659","0.0498","","","","0.1496","","","","","","1.016","","","","has coordinates,has Fobs","201972","2020-10-21","18:00:00","" "2103719","3.812","0.001","11.012","0.002","21.942","0.005","100.78","0.02","91.66","0.02","88.26","0.02","904.1","0.4","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","3-aminopyridinium . hydrogen squarate, 1:1","","- C9 H8 N2 O4 -","- C9 H8 N2 O4 -","- C36 H32 N8 O16 -","4","2","NA0121","Bertolasi, Valerio; Gilli, Paola; Ferretti, Valeria; Gilli, Gastone","General rules for the packing of hydrogen-bonded crystals as derived from the analysis of squaric acid anions: aminoaromatic nitrogen base co-crystals","Acta Crystallographica Section B","2001","57","4","591","598","10.1107/S010876810100814X","","","0.71073","MoKα","","0.1066","0.064","","","","0.2029","","","","","","1.056","","","","has coordinates,has Fobs","201972","2020-10-21","18:00:00","" "2103720","10.283","0.003","7.068","0.001","12.642","0.002","90","","97.95","0.02","90","","910","0.3","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","4-aminopyridinium . hydrogen squarate, 1:1","","- C9 H8 N2 O4 -","- C9 H8 N2 O4 -","- C36 H32 N8 O16 -","4","1","NA0121","Bertolasi, Valerio; Gilli, Paola; Ferretti, Valeria; Gilli, Gastone","General rules for the packing of hydrogen-bonded crystals as derived from the analysis of squaric acid anions: aminoaromatic nitrogen base co-crystals","Acta Crystallographica Section B","2001","57","4","591","598","10.1107/S010876810100814X","","","0.71073","MoKα","","0.0468","0.0379","","","","0.1186","","","","","","1.072","","","","has coordinates,has Fobs","201972","2020-10-21","18:00:00","" "2103721","7.209","0.001","7.861","0.001","8.443","0.001","108.07","0.01","91.62","0.01","89.83","0.01","454.68","0.1","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","8-aminoquinolinium . squarate, 1:2","","- C22 H18 N4 O4 -","- C22 H18 N4 O4 -","- C22 H18 N4 O4 -","1","0.5","NA0121","Bertolasi, Valerio; Gilli, Paola; Ferretti, Valeria; Gilli, Gastone","General rules for the packing of hydrogen-bonded crystals as derived from the analysis of squaric acid anions: aminoaromatic nitrogen base co-crystals","Acta Crystallographica Section B","2001","57","4","591","598","10.1107/S010876810100814X","","","0.71073","MoKα","","0.0479","0.043","","","","0.1295","","","","","","1.056","","","","has coordinates,has Fobs","219800","2020-10-21","18:00:00","" "2103722","13.384","0.002","17.452","0.003","11.596","0.003","90","","90","","90","","2708.6","0.9","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C28 H48 N2 O2 -","- C28 H48 N2 O2 -","- C112 H192 N8 O8 -","4","1","AN0583","Atencio, Reinaldo; Visbal, Gonzalo; Pekerar, Sara; Papale, Jham; Urbina, Julio A.","Studies of molecular structure parameters of 20-piperidin-2-yl-5α-pregnan-3β,20-diol and its N-methyl derivative: two inhibitors of Δ^24(25)^ sterol methyl transferase and Δ^24(24')^ sterol methyl reductase of Trypanosoma cruzi","Acta Crystallographica Section B","2001","57","5","714","721","10.1107/S0108768101013234","","","0.71069","MoKα","","0.1029","0.0549","","0.1831","","0.1408","","","0.959","","","1.003","","","","has coordinates","201972","2020-10-21","18:00:00","" "2103723","10.478","0.003","7.213","0.002","16.384","0.002","90","","99.58","0.02","90","","1221","0.5","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C27 H47 N O2 -","- C27 H47 N O2 -","- C54 H94 N2 O4 -","2","1","AN0583","Atencio, Reinaldo; Visbal, Gonzalo; Pekerar, Sara; Papale, Jham; Urbina, Julio A.","Studies of molecular structure parameters of 20-piperidin-2-yl-5α-pregnan-3β,20-diol and its N-methyl derivative: two inhibitors of Δ^24(25)^ sterol methyl transferase and Δ^24(24')^ sterol methyl reductase of Trypanosoma cruzi","Acta Crystallographica Section B","2001","57","5","714","721","10.1107/S0108768101013234","","","0.71069","MoKα","","0.074","0.047","","0.1404","","0.1157","","","0.991","","","1.037","","","","has coordinates","201972","2020-10-21","18:00:00","" "2103724","9.533","0.0005","13.54","0.0007","14.644","0.0009","93.88","0.002","95.02","0.002","90.14","0.003","1878.57","0.18","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C88 H70 O28 -","- C88 H70 O28 -","- C88 H70 O28 -","1","0.5","BK0091","Herbstein, Frank H.; Kapon, Moshe; Shteiman, Vitaly","Determination of the structure of 2(benzene-1,3,5-tricarboxylic acid)·1.5(pyrene)·2(methanol) and comparison with that of 2(benzene-1,3,5-tricarboxylic acid)·pyrene·2(ethanol)","Acta Crystallographica Section B","2001","57","5","692","696","10.1107/S0108768101010527","","","0.7107","MoKα","","0.1188","0.0577","","","","0.1409","","","","","","1.021","","","","has coordinates,has Fobs","176768","2020-10-21","18:00:00","" "2103725","6.607","0.0015","6.907","0.0007","10.539","0.003","90","","104","0.04","90","","466.66","0.19","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","maleic hydrazidem polymorph 3","1,2-dihydroxypyridazine; 6-hydroxy-3-pyridazinone polymorph 3","","- C4 H4 N2 O2 -","- C4 H4 N2 O2 -","- C16 H16 N8 O8 -","4","1","BM0045","Katrusiak, Andrzej","Polymorphism of maleic hydrazide. I","Acta Crystallographica Section B","2001","57","5","697","704","10.1107/S010876810101151X","","","1.54178","CuKα","","0.055","0.0475","","","","0.1036","","","","","","1.093","","","","has coordinates,has Fobs","201972","2020-10-21","18:00:00","" "2103726","5.8181","0.001","5.8","0.001","7.309","0.001","78.8","0.03","99.36","0.03","107.13","0.03","229.75","0.08","300","1","300","1","","","","","","","","4","P -1","-P 1","2","maleic hydrazide","1,2-dihydropyridazine-3,6-dione; 6-hydroxy-3-pyridazinone","","- C4 H4 N2 O2 -","- C4 H4 N2 O2 -","- C8 H8 N4 O4 -","2","1","BM0045","Katrusiak, Andrzej","Polymorphism of maleic hydrazide. I","Acta Crystallographica Section B","2001","57","5","697","704","10.1107/S010876810101151X","","","0.71073","MoKα","","0.0869","0.0535","","","","0.0882","","","","","","1.01","","","","has coordinates,has Fobs","201972","2020-10-21","18:00:00","" "2103727","18.704","0.003","18.704","0.003","22.675","0.004","90","","90","","120","","6870","2","299","1","299","1","","","","","","","","2","P 3 c 1","P 3 -2""c","158","","perchlorophenalenyl radical","","- C13 Cl9 -","- C13.0038 Cl9.0026 -","- C234.068 Cl162.047 -","18","3","BS0014","Koutentis, P. A.; Haddon, R. C.; Oakley, R. T.; Cordes, A. W.; Brock, C. P.","Perchlorophenalenyl radical, C~13~Cl~9~: a modulated structure with nine threefold-symmetric molecules in the asymmetric unit","Acta Crystallographica Section B","2001","57","5","680","691","10.1107/S0108768101011193","","","0.71073","MoKα","","0.16","0.094","","","","0.174","","","","","","2.15","","","","has coordinates,has disorder,has Fobs","176768","2020-10-21","18:00:00","" "2103728","18.704","0.003","18.704","0.003","3.7792","0.0007","90","","90","","120","","1145","0.3","299","1","299","1","","","","","","","","2","R 3 m :H","R 3 -2""","160","","perchlorophenalenyl radical","","- C13 Cl9 -","- C13 Cl9 -","- C39 Cl27 -","3","0.166667","BS0014","Koutentis, P. A.; Haddon, R. C.; Oakley, R. T.; Cordes, A. W.; Brock, C. P.","Perchlorophenalenyl radical, C~13~Cl~9~: a modulated structure with nine threefold-symmetric molecules in the asymmetric unit","Acta Crystallographica Section B","2001","57","5","680","691","10.1107/S0108768101011193","","","0.71073","MoKα","","0.046","0.045","","","","0.14","","","","","","4.08","","","","has coordinates","176768","2020-10-21","18:00:00","" "2103729","10.6768","0.0003","10.6768","0.0003","3.6566","0.0001","90","","90","","120","","360.986","0.017","295","","295","","","","","","","","","3","P 63/m","-P 6c","176","","","","- In0.54 Nb3 Te4 -","- In0.5392 Nb3 Te4 -","- In1.0784 Nb6 Te8 -","2","0.166667","CK0007","Wunschel, Markus; Dinnebier, Robert E.; Carlson, Stefan; van Smaalen, Sander","Bulk modulus and non-uniform compression of Nb~3~Te~4~ and In~x~Nb~3~Te~4~ (x < 1) channel compounds","Acta Crystallographica Section B","2001","57","5","665","672","10.1107/S0108768101011685","","","0.13918","synchrotron","","","","","","","","","","1.61","","","","","","","has coordinates","176768","2020-10-21","18:00:00","" "2103730","7.169","0.002","8.452","0.002","11.364","0.003","82.77","0.01","80.84","0.01","87.72","0.02","674.2","0.3","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","","","- C11 H2 Co2 O9 -","- C11 H2 Co2 O9 -","- C22 H4 Co4 O18 -","2","1","LC0036","Bianchi, Riccardo; Gervasio, Giuliana; Marabello, Domenica","Experimental electron density in the triclinic phase of Co~2~(CO)~6~(μ-CO)(μ-C~4~O~2~H~2~) at 120K","Acta Crystallographica Section B","2001","57","5","638","645","10.1107/S0108768101009028","","","0.71073","MoKα","","","0.0239","","","","0.0301","","","","","","0.867","","","","has coordinates","176768","2020-10-21","18:00:00","" "2103731","20.983","0.0003","20.983","0.0003","7.621","0.0001","90","","90","","120","","2905.88","0.07","293","2","293","2","","","","","","","","4","P 3","P 3","143","","","","- C6 H11 N O -","- C6 H10.35 N O -","- C108 H186.3 N18 O18 -","18","6","NA0119","Olivato, Paulo R.; Ribeiro, Douglas S.; Zukerman-Schpector, J.; Bombieri, Gabriella","Self-association and stereochemistry study of 2-methylthio-, 2-dimethylaminocyclohexanone oximes and the parent cyclohexanone oxime","Acta Crystallographica Section B","2001","57","5","705","713","10.1107/S0108768101009624","","","0.7107","MoKα","","0.1006","0.0925","","","","0.27","","","","","","1.053","","","","has coordinates,has disorder","176768","2020-10-21","18:00:00","" "2103732","5.2634","0.0009","23.222","0.003","7.3962","0.0008","90","","107.66","0.01","90","","861.4","0.2","293","2","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2-methylthio-cyclohexanone oxime","","- C7 H13 N O S -","- C7 H13 N O S -","- C28 H52 N4 O4 S4 -","4","1","NA0119","Olivato, Paulo R.; Ribeiro, Douglas S.; Zukerman-Schpector, J.; Bombieri, Gabriella","Self-association and stereochemistry study of 2-methylthio-, 2-dimethylaminocyclohexanone oximes and the parent cyclohexanone oxime","Acta Crystallographica Section B","2001","57","5","705","713","10.1107/S0108768101009624","","","0.71073","MoKα","","0.0967","0.0364","","","","0.1017","","","1.003","","","1.003","","","","has coordinates,has Fobs","201972","2020-10-21","18:00:00","" "2103733","12.5662","0.0006","10.1714","0.0006","14.3863","0.0009","90","","90","","90","","1838.8","0.18","293","2","","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","2-dimethylaminocyclohexanone oxime","","- C8 H16 N2 O -","- C8 H16 N2 O -","- C64 H128 N16 O8 -","8","1","NA0119","Olivato, Paulo R.; Ribeiro, Douglas S.; Zukerman-Schpector, J.; Bombieri, Gabriella","Self-association and stereochemistry study of 2-methylthio-, 2-dimethylaminocyclohexanone oximes and the parent cyclohexanone oxime","Acta Crystallographica Section B","2001","57","5","705","713","10.1107/S0108768101009624","","","0.71073","MoKα","","0.0709","0.039","","","","0.1146","","","1.031","","","1.031","","","","has coordinates","201972","2020-10-21","18:00:00","" "2103734","4.6103","0.00003","16.4621","0.0003","14.6751","0.0002","90","","90","","90","","1113.77","0.03","298","","295","","","","","","","","","3","C m c m","-C 2c 2","63","","pentamethylcyclopentadienylsodium","","- C10 H15 Na -","- C12.5 Na -","- C50 Na4 -","4","0.25","NA0125","Tedesco, Consiglia; Dinnebier, Robert E.; Olbrich, Falk; van Smaalen, Sander","Disordered crystal structure of pentamethylcyclopentadienylsodium as seen by high-resolution X-ray powder diffraction","Acta Crystallographica Section B","2001","57","5","673","679","10.1107/S010876810101237X","","","0.491213","","","","","","","","","","","0.41","","","","","","","has coordinates","176435","2020-10-21","18:00:00","" "2103735","11.493","0.003","7.685","0.001","18.15","0.003","90","","91.49","0.02","90","","1602.5","0.5","213","","213","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","potassium [2.2]paracyclophane-4-sulfonate","","- C16 H19 K O5 S -","- C16 H19 K O5 S -","- C64 H76 K4 O20 S4 -","4","1","AN0584","De Ridder, Dirk J. A.; Goubitz, Kees; Fontijn, Margot; Čapková, Pavla; Dova, Eva; Schenk, Henk","Influence of aromatic sulfonation on the geometry of [2.2]paracyclophane: crystal structures of one sulfonate, one disulfonic anhydride and five disulfonimides","Acta Crystallographica Section B","2001","57","6","780","790","10.1107/S0108768101013817","","","1.5418","CuKα","","0.086","0.086","","0.087","","0.087","","","1.362","","","1.362","","","","has coordinates","176432","2020-10-21","18:00:00","" "2103736","15.927","0.002","7.7031","0.0004","26.257","0.002","90","","98.17","0.01","90","","3188.7","0.5","211","","211","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","[2.2]paracyclophane-4,15-disulfonic anhydride","","- C16.5 H15 Cl O5 S2 -","- C16.5 H15 Cl O5 S2 -","- C132 H120 Cl8 O40 S16 -","8","1","AN0584","De Ridder, Dirk J. A.; Goubitz, Kees; Fontijn, Margot; Čapková, Pavla; Dova, Eva; Schenk, Henk","Influence of aromatic sulfonation on the geometry of [2.2]paracyclophane: crystal structures of one sulfonate, one disulfonic anhydride and five disulfonimides","Acta Crystallographica Section B","2001","57","6","780","790","10.1107/S0108768101013817","","","1.5418","CuKα","","0.065","0.061","","0.068","","0.067","","","0.98","","","1.026","","","","has coordinates","176432","2020-10-21","18:00:00","" "2103737","8.725","0.007","10.259","0.007","10.95","0.006","90","","92.87","0.04","90","","978.9","1.2","293","","293","","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","[2.2]paracyclophane-4,15-disulfonimide","","- C20 H21 N3 O4 S2 -","- C20 H21 N3 O4 S2 -","- C40 H42 N6 O8 S4 -","2","0.5","AN0584","De Ridder, Dirk J. A.; Goubitz, Kees; Fontijn, Margot; Čapková, Pavla; Dova, Eva; Schenk, Henk","Influence of aromatic sulfonation on the geometry of [2.2]paracyclophane: crystal structures of one sulfonate, one disulfonic anhydride and five disulfonimides","Acta Crystallographica Section B","2001","57","6","780","790","10.1107/S0108768101013817","","","0.71069","MoKα","","0.056","0.056","","0.064","","0.064","","","0.764","","","0.764","","","","has coordinates","176432","2020-10-21","18:00:00","" "2103738","10.587","0.002","10.779","0.003","15.644","0.005","90","","90","","90","","1785.3","0.8","293","","293","","","","","","","","","5","P m c n","-P 2n 2a","62","","N-n-propyl-[2.2]paracyclophane-4,15-disulfonimide","","- C19 H21 N O4 S2 -","- C19 H21 N O4 S2 -","- C76 H84 N4 O16 S8 -","4","0.5","AN0584","De Ridder, Dirk J. A.; Goubitz, Kees; Fontijn, Margot; Čapková, Pavla; Dova, Eva; Schenk, Henk","Influence of aromatic sulfonation on the geometry of [2.2]paracyclophane: crystal structures of one sulfonate, one disulfonic anhydride and five disulfonimides","Acta Crystallographica Section B","2001","57","6","780","790","10.1107/S0108768101013817","","","1.5418","CuKα","","0.089","0.089","","0.095","","0.095","","","0.872","","","0.872","","","","has coordinates","176432","2020-10-21","18:00:00","" "2103739","12.845","0.002","15.0121","0.0007","18.643","0.0008","90","","90","","90","","3594.9","0.6","293","","293","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","N-isopropyl-[2.2]paracyclophane-4,15-disulfonimide","","- C19 H21 N O4 S2 -","- C19 H21 N O4 S2 -","- C152 H168 N8 O32 S16 -","8","1","AN0584","De Ridder, Dirk J. A.; Goubitz, Kees; Fontijn, Margot; Čapková, Pavla; Dova, Eva; Schenk, Henk","Influence of aromatic sulfonation on the geometry of [2.2]paracyclophane: crystal structures of one sulfonate, one disulfonic anhydride and five disulfonimides","Acta Crystallographica Section B","2001","57","6","780","790","10.1107/S0108768101013817","","","1.5418","CuKα","","0.064","0.064","","0.069","","0.069","","","0.984","","","0.984","","","","has coordinates","176432","2020-10-21","18:00:00","" "2103740","9.826","0.002","14.632","0.002","23.77","0.004","90","","90","","90","","3417.5","1","293","","293","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","N-cyclopropyl-[2.2]paracyclophane-4,15-disulfonimide","","- C19 H19 N O4 S2 -","- C19 H19 N O4 S2 -","- C152 H152 N8 O32 S16 -","8","1","AN0584","De Ridder, Dirk J. A.; Goubitz, Kees; Fontijn, Margot; Čapková, Pavla; Dova, Eva; Schenk, Henk","Influence of aromatic sulfonation on the geometry of [2.2]paracyclophane: crystal structures of one sulfonate, one disulfonic anhydride and five disulfonimides","Acta Crystallographica Section B","2001","57","6","780","790","10.1107/S0108768101013817","","","0.71069","MoKα","","0.046","0.046","","0.052","","0.052","","","0.772","","","0.772","","","","has coordinates","176432","2020-10-21","18:00:00","" "2103741","9.915","0.002","12.426","0.001","15.418","0.002","90","","90","","90","","1899.6","0.5","293","","293","","","","","","","","","5","P m c n","-P 2n 2a","62","","N-phenyl-[2.2]paracyclophane-4,15-disulfonimide","","- C22 H19 N O4 S2 -","- C22 H19 N O4 S2 -","- C88 H76 N4 O16 S8 -","4","0.5","AN0584","De Ridder, Dirk J. A.; Goubitz, Kees; Fontijn, Margot; Čapková, Pavla; Dova, Eva; Schenk, Henk","Influence of aromatic sulfonation on the geometry of [2.2]paracyclophane: crystal structures of one sulfonate, one disulfonic anhydride and five disulfonimides","Acta Crystallographica Section B","2001","57","6","780","790","10.1107/S0108768101013817","","","1.5418","CuKα","","0.049","0.049","","0.054","","0.054","","","0.859","","","0.859","","","","has coordinates","176432","2020-10-21","18:00:00","" "2103742","13.48","0.002","14.172","0.002","8.433","0.001","90","","92.07","0.02","90","","1610","0.4","298","2","298","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","OON (methoxy cyanurate)","4,6-Dimethoxy-3-methyl-dihydro-triazine-2-one","","- C6 H9 N3 O3 -","- C6 H9 N3 O3 -","- C48 H72 N24 O24 -","8","2","AV0042","Kaftory, Menahem; Botoshansky, Mark; Kapon, Moshe; Shteiman, Vitaly","Irreversible single-crystal to polycrystal and reversible single-crystal to single-crystal phase transformations in cyanurates","Acta Crystallographica Section B","2001","57","6","791","799","10.1107/S0108768101014987","","","0.7107","MoKα","","0.0995","0.0559","","","","0.1803","","","","","","1.041","","","","has coordinates","201972","2020-10-21","18:00:00","" "2103743","8.465","0.001","6.749","0.001","14.284","0.002","90","","90","","90","","816.05","0.19","320","2","320","2","","","","","","","","4","P n m a","-P 2ac 2n","62","OON (methoxy cyanurate)","4,6-Dimethoxy-3-methyl-dihydro-triazine-2-one","","- C6 H9 N3 O3 -","- C6 H9 N3 O3 -","- C24 H36 N12 O12 -","4","0.5","AV0042","Kaftory, Menahem; Botoshansky, Mark; Kapon, Moshe; Shteiman, Vitaly","Irreversible single-crystal to polycrystal and reversible single-crystal to single-crystal phase transformations in cyanurates","Acta Crystallographica Section B","2001","57","6","791","799","10.1107/S0108768101014987","","","0.7107","MoKα","","0.0939","0.0461","","","","0.147","","","","","","0.976","","","","has coordinates","176768","2020-10-21","18:00:00","" "2103744","8.481","0.001","6.78","0.001","14.284","0.002","90","","90","","90","","821.35","0.19","359","2","359","2","","","","","","","","4","P n m a","-P 2ac 2n","62","OON (methoxy cyanurate)","4,6-Dimethoxy-3-methyl-dihydro-triazine-2-one","","- C6 H9 N3 O3 -","- C6 H9 N3 O3 -","- C24 H36 N12 O12 -","4","0.5","AV0042","Kaftory, Menahem; Botoshansky, Mark; Kapon, Moshe; Shteiman, Vitaly","Irreversible single-crystal to polycrystal and reversible single-crystal to single-crystal phase transformations in cyanurates","Acta Crystallographica Section B","2001","57","6","791","799","10.1107/S0108768101014987","","","0.71073","MoKα","","0.0755","0.056","","","","0.1664","","","","","","1.04","","","","has coordinates","176768","2020-10-21","18:00:00","" "2103745","19.008","0.003","5.073","0.002","13.6723","0.0019","90","","101.109","0.013","90","","1293.7","0.6","293","2","293","2","","","","","","","","4","C 1 2 1","C 2y","5","L-Arginine-Glutaricacid-complex","","","- C17 H40 N8 O10 -","- C17 H40 N8 O10 -","- C34 H80 N16 O20 -","2","0.5","DE0013","Saraswathi, N. T.; Vijayan, M.","X-ray studies on crystalline complexes involving amino acids and peptides. XXXVIII. Crystal structures of the complexes of L-arginine and L-histidine with glutaric acid and a comparative study of amino acid‒glutaric acid complexes","Acta Crystallographica Section B","2001","57","6","842","849","10.1107/S0108768101013684","","","1.5418","CuKα","","0.0746","0.0534","","","","0.1581","","","","","","1.11","","","","has coordinates,has Fobs","176768","2020-10-21","18:00:00","" "2103746","8.335","0.001","8.856","0.001","19.522","0.002","90","","90","","90","","1441","0.3","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","L-histidine complexed with glutaric acid","","","- C44 H76 N12 O28 -","- C11 H19 N3 O7 -","- C44 H76 N12 O28 -","4","1","DE0013","Saraswathi, N. T.; Vijayan, M.","X-ray studies on crystalline complexes involving amino acids and peptides. XXXVIII. Crystal structures of the complexes of L-arginine and L-histidine with glutaric acid and a comparative study of amino acid‒glutaric acid complexes","Acta Crystallographica Section B","2001","57","6","842","849","10.1107/S0108768101013684","","","1.5418","CuKα","","0.0721","0.0549","","","","0.1444","","","","","","1.159","","","","has coordinates,has Fobs","201972","2020-10-21","18:00:00","" "2103747","5.791","0.001","13.11","0.003","14.36","0.003","110.46","0.02","89.78","0.01","95.62","0.02","1016","0.4","293","2","293","2","","","","","","","","4","P 1","P 1","1","L Histidine complex with glutaric acid","","","- C34 H52 N12 O16 -","- C17 H26 N6 O8 -","- C34 H52 N12 O16 -","2","2","DE0013","Saraswathi, N. T.; Vijayan, M.","X-ray studies on crystalline complexes involving amino acids and peptides. XXXVIII. Crystal structures of the complexes of L-arginine and L-histidine with glutaric acid and a comparative study of amino acid‒glutaric acid complexes","Acta Crystallographica Section B","2001","57","6","842","849","10.1107/S0108768101013684","","","1.5418","CuKα","","0.0432","0.0419","","","","0.124","","","","","","1.129","","","","has coordinates,has Fobs","201972","2020-10-21","18:00:00","" "2103748","29.31","0.05","9.976","0.01","19.34","0.02","90","","121.07","0.02","90","","4844","11","20","2","20","2","","","","","","","","3","C 1 2 1","C 2y","5","[CA10]","[Cyclodecaamylose].27.18 H2 O","","- C60 H153.42 O77.18 -","- C60 H153.42 O77.18 -","- C120 H306.84 O154.36 -","2","0.5","JZ0013","Imamura, K.; Nimz, O.; Jacob, J.; Myles, D.; Mason, S. A.; Kitamura, S.; Aree, T.; Saenger, W.","Hydrogen-bond network in cyclodecaamylose hydrate at 20K; neutron diffraction study of novel structural motifs band-flip and kink in α-(1→4)-D-glucoside oligosaccharides","Acta Crystallographica Section B","2001","57","6","833","841","10.1107/S0108768101014288","","neutron","1.532","neutron","","0.0681","0.0635","","","","0.1477","","","","","","1.056","","","","has coordinates,has disorder","176768","2020-10-21","18:00:00","" "2103749","22.493","0.005","5.1624","0.0013","9.73","0.004","90","","95.68","0.03","90","","1124.3","0.6","293","2","293","2","","","","","","","","5","C 1 2 1","C 2y","5","","L-argininium hydrogenselenite","","- C6 H16.305 N4 O5.1525 Se -","- C6 H16.305 N4 O5.1525 Se -","- C24 H65.22 N16 O20.61 Se4 -","4","1","NA0124","de Matos Gomes, E.; Nogueira, E.; Fernandes, I.; Belsley, M.; Paixão, J. A.; Matos Beja, A.; Ramos Silva, M.; Martín-Gil, J.; Martín-Gil, F.; Mano, J. F.","Synthesis, structure, thermal and non-linear optical properties of L-argininium hydrogen selenite","Acta Crystallographica Section B","2001","57","6","828","832","10.1107/S0108768101009880","","","0.71073","MoKα","","0.0249","0.0223","","","","0.0598","","","","","","1.053","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00","" "2103750","18.586","0.003","18.586","","22.345","0.004","90","","90","","90","","7718.8","1.9","296","","296","","","","","","","","","6","I 41 c d","I 4bw -2c","110","bis(1,1,1,5,5,5-hexafluoropentane-2,4-dionato)-bispyrimidinecopper(II)","catena-bis(1,1,1,5,5,5-hexafluoropentane-2,4-dionato)[m-pyrimidine-N1:N3] copper(II)","","- C14 H6 Cu F12 N2 O4 -","- C14 H6 Cu F12 N2 O4 -","- C224 H96 Cu16 F192 N32 O64 -","16","1","OA0036","Yasui, Masanori; Ishikawa, Yoshimitsu; Ishida, Takayuki; Nogami, Takashi; Iwasaki, Fujiko","Bis(hfac)-copper(II) complexes bridged by pyrimidines showing magnetic interactions","Acta Crystallographica Section B","2001","57","6","772","779","10.1107/S0108768101013568","","","0.71073","MoKα","","0.0653","0.045","","","","0.1388","","","","","","1.071","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00","" "2103751","18.3757","0.0017","18.3757","","22.137","0.003","90","","90","","90","","7474.9","1.2","120","","120","","","","","","","","","6","I 41 c d","I 4bw -2c","110","bis(1,1,1,5,5,5-hexafluoropentane-2,4-dionato)-bispyrimidinecopper(II)","catena-bis(1,1,1,5,5,5-hexafluoropentane-2,4-dionato)[m-pyrimidine-N1:N3] copper(II)","","- C14 H6 Cu F12 N2 O4 -","- C14 H6 Cu F12 N2 O4 -","- C224 H96 Cu16 F192 N32 O64 -","16","1","OA0036","Yasui, Masanori; Ishikawa, Yoshimitsu; Ishida, Takayuki; Nogami, Takashi; Iwasaki, Fujiko","Bis(hfac)-copper(II) complexes bridged by pyrimidines showing magnetic interactions","Acta Crystallographica Section B","2001","57","6","772","779","10.1107/S0108768101013568","","","0.71073","MoKα","","0.0342","0.0296","","","","0.0827","","","","","","1.055","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00","" "2103752","19.253","0.008","19.253","","22.38","0.009","90","","90","","90","","8296","5","294","","294","","","","","","","","","6","I 41/a :2","-I 4ad","88","bis(1,1,1,5,5,5-hexafluoropentane-2,4-dionato)-bis(4-methylpyrimidine) copper(II)","catena-bis(1,1,1,5,5,5-hexafluoropentane-2,4-dionato)[m-4-methylpyrimidine- N1:N3]copper(II)","","- C15 H8 Cu F12 N2 O4 -","- C15 H8 Cu F12 N2 O4 -","- C240 H128 Cu16 F192 N32 O64 -","16","1","OA0036","Yasui, Masanori; Ishikawa, Yoshimitsu; Ishida, Takayuki; Nogami, Takashi; Iwasaki, Fujiko","Bis(hfac)-copper(II) complexes bridged by pyrimidines showing magnetic interactions","Acta Crystallographica Section B","2001","57","6","772","779","10.1107/S0108768101013568","","","0.71073","MoKα","","0.12","0.0527","","","","0.1796","","","","","","1.028","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00","" "2103753","18.808","0.002","18.808","","22.182","0.004","90","","90","","90","","7846.7","1.6","100","","100","","","","","","","","","6","I 41/a :2","-I 4ad","88","bis(1,1,1,5,5,5-hexafluoropentane-2,4-dionato)-bis(4-methylpyrimidine) copper(II)","catena-bis(1,1,1,5,5,5-hexafluoropentane-2,4-dionato)[m-4-methylpyrimidine- N1:N3]copper(II)","","- C15 H8 Cu F12 N2 O4 -","- C15 H8 Cu F12 N2 O4 -","- C240 H128 Cu16 F192 N32 O64 -","16","1","OA0036","Yasui, Masanori; Ishikawa, Yoshimitsu; Ishida, Takayuki; Nogami, Takashi; Iwasaki, Fujiko","Bis(hfac)-copper(II) complexes bridged by pyrimidines showing magnetic interactions","Acta Crystallographica Section B","2001","57","6","772","779","10.1107/S0108768101013568","","","0.71073","MoKα","","0.0345","0.0273","","","","0.0838","","","","","","1.082","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00","" "2103754","12.3","0.002","12.1233","0.0018","15.1545","0.0019","90","","102.464","0.012","90","","2206.5","0.6","296","","296","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","bis(1,1,1,5,5,5-hexafluoropentane-2,4-dionato)-bis(quinazoline)copper(II)","catena-bis(1,1,1,5,5,5-hexafluoropentane-2,4-dionato)[m-quinazoline-N1:N3] copper(II)","","- C18 H8 Cu F12 N2 O4 -","- C18 H8 Cu F12 N2 O4 -","- C72 H32 Cu4 F48 N8 O16 -","4","1","OA0036","Yasui, Masanori; Ishikawa, Yoshimitsu; Ishida, Takayuki; Nogami, Takashi; Iwasaki, Fujiko","Bis(hfac)-copper(II) complexes bridged by pyrimidines showing magnetic interactions","Acta Crystallographica Section B","2001","57","6","772","779","10.1107/S0108768101013568","","","0.71073","MoKα","","0.1012","0.0447","","","","0.1622","","","","","","1.023","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00","" "2103755","12.023","0.005","11.92","0.004","15.065","0.004","90","","102.42","0.02","90","","2108.5","1.3","120","","120","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","bis(1,1,1,5,5,5-hexafluoropentane-2,4-dionato)-bis(quinazoline)copper(II)","catena-bis(1,1,1,5,5,5-hexafluoropentane-2,4-dionato)[m-quinazoline-N1:N3] copper(II)","","- C18 H8 Cu F12 N2 O4 -","- C18 H8 Cu F12 N2 O4 -","- C72 H32 Cu4 F48 N8 O16 -","4","1","OA0036","Yasui, Masanori; Ishikawa, Yoshimitsu; Ishida, Takayuki; Nogami, Takashi; Iwasaki, Fujiko","Bis(hfac)-copper(II) complexes bridged by pyrimidines showing magnetic interactions","Acta Crystallographica Section B","2001","57","6","772","779","10.1107/S0108768101013568","","","0.71073","MoKα","","0.0779","0.0454","","","","0.1346","","","","","","1.023","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00","" "2103756","11.728","0.004","13.621","0.005","10.919","0.002","94.46","0.03","113.78","0.02","65.02","0.02","1437.8","0.9","294","","294","","","","","","","","","6","P -1","-P 1","2","tris-[bis-(1,1,1,5,5,5-hexafluoropentane-2,4-dionato)copper(II)]-bis [m-4-methylpyrimidine-N1:N3]","tris-[bis-(1,1,1,5,5,5-hexafluoropentane-2,4-dionato)copper(II)]-bis [m-4-methylpyrimidine-N1:N3]","","- C40 H18 Cu3 F36 N4 O12 -","- C40 H18 Cu3 F36 N4 O12 -","- C40 H18 Cu3 F36 N4 O12 -","1","0.5","OA0036","Yasui, Masanori; Ishikawa, Yoshimitsu; Ishida, Takayuki; Nogami, Takashi; Iwasaki, Fujiko","Bis(hfac)-copper(II) complexes bridged by pyrimidines showing magnetic interactions","Acta Crystallographica Section B","2001","57","6","772","779","10.1107/S0108768101013568","","","0.71073","MoKα","","0.1201","0.0561","","","","0.1967","","","","","","1.028","","","","has coordinates","176768","2020-10-21","18:00:00","" "2103757","11.552","0.003","13.397","0.004","10.505","0.003","95.48","0.02","112.982","0.019","64.503","0.018","1345.8","0.7","100","","100","","","","","","","","","6","P -1","-P 1","2","tris-[bis-(1,1,1,5,5,5-hexafluoropentane-2,4-dionato)copper(II)]-bis [m-4-methylpyrimidine-N1:N3]","tris-[bis-(1,1,1,5,5,5-hexafluoropentane-2,4-dionato)copper(II)]-bis [m-4-methylpyrimidine-N1:N3]","","- C40 H18 Cu3 F36 N4 O12 -","- C40 H18 Cu3 F36 N4 O12 -","- C40 H18 Cu3 F36 N4 O12 -","1","0.5","OA0036","Yasui, Masanori; Ishikawa, Yoshimitsu; Ishida, Takayuki; Nogami, Takashi; Iwasaki, Fujiko","Bis(hfac)-copper(II) complexes bridged by pyrimidines showing magnetic interactions","Acta Crystallographica Section B","2001","57","6","772","779","10.1107/S0108768101013568","","","0.71073","MoKα","","0.0491","0.0345","","","","0.0932","","","","","","1.026","","","","has coordinates","176768","2020-10-21","18:00:00","" "2103758","11.0818","0.0004","16.6025","0.0005","7.1255","0.0002","90","","90","","90","","1310.99","0.07","480","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","deuterated barium hydroxide","","- Ba D2 O2 -","- Ba D2 O2 -","- Ba20 D40 O40 -","20","2.5","OS0074","Friedrich, Alexandra; Kunz, Martin; Suard, Emmanuelle","Temperature-dependent neutron powder diffraction study of the Ba(OD)~2~ polymorphs: a new low-temperature phase","Acta Crystallographica Section B","2001","57","6","747","758","10.1107/S0108768101013647","","neutron","1.59432","neutron","","","","","","","","","","1.53","","","","","","","has coordinates","176435","2020-10-21","18:00:00","" "2103759","7.08251","0.00017","10.8701","0.0003","16.4349","0.0004","90","","91.3334","0.0015","90","","1264.94","0.06","10","","","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","deuterated barium hydroxide","","- Ba D2 O2 -","- Ba D2 O2 -","- Ba20 D40 O40 -","20","5","OS0074","Friedrich, Alexandra; Kunz, Martin; Suard, Emmanuelle","Temperature-dependent neutron powder diffraction study of the Ba(OD)~2~ polymorphs: a new low-temperature phase","Acta Crystallographica Section B","2001","57","6","747","758","10.1107/S0108768101013647","","neutron","1.59432","neutron","","","","","","","","","","1.38","","","","","","","has coordinates","176435","2020-10-21","18:00:00","" "2103760","7.0826","0.00018","10.873","0.0003","16.4338","0.0004","90","","91.3091","0.0015","90","","1265.22","0.06","50","","","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","deuterated barium hydroxide","","- Ba D2 O2 -","- Ba D2 O2 -","- Ba20 D40 O40 -","20","5","OS0074","Friedrich, Alexandra; Kunz, Martin; Suard, Emmanuelle","Temperature-dependent neutron powder diffraction study of the Ba(OD)~2~ polymorphs: a new low-temperature phase","Acta Crystallographica Section B","2001","57","6","747","758","10.1107/S0108768101013647","","neutron","1.59432","neutron","","","","","","","","","","1.29","","","","","","","has coordinates","176435","2020-10-21","18:00:00","" "2103761","7.0832","0.0002","10.8967","0.0003","16.4306","0.0005","90","","91.0598","0.0019","90","","1267.95","0.06","100","","","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","deuterated barium hydroxide","","- Ba D2 O2 -","- Ba D2 O2 -","- Ba20 D40 O40 -","20","5","OS0074","Friedrich, Alexandra; Kunz, Martin; Suard, Emmanuelle","Temperature-dependent neutron powder diffraction study of the Ba(OD)~2~ polymorphs: a new low-temperature phase","Acta Crystallographica Section B","2001","57","6","747","758","10.1107/S0108768101013647","","neutron","1.59432","neutron","","","","","","","","","","1.52","","","","","","","has coordinates","176435","2020-10-21","18:00:00","" "2103762","10.9577","0.0003","16.4138","0.0005","7.07374","0.00018","90","","90","","90","","1272.27","0.06","150","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","deuterated barium hydroxide","","- Ba D2 O2 -","- Ba D2 O2 -","- Ba20 D40 O40 -","20","2.5","OS0074","Friedrich, Alexandra; Kunz, Martin; Suard, Emmanuelle","Temperature-dependent neutron powder diffraction study of the Ba(OD)~2~ polymorphs: a new low-temperature phase","Acta Crystallographica Section B","2001","57","6","747","758","10.1107/S0108768101013647","","neutron","1.59432","neutron","","","","","","","","","","1.8","","","","","","","has coordinates","176435","2020-10-21","18:00:00","" "2103763","10.9789","0.0003","16.4317","0.0004","7.0784","0.00018","90","","90","","90","","1276.96","0.06","200","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","deuterated barium hydroxide","","- Ba D2 O2 -","- Ba D2 O2 -","- Ba20 D40 O40 -","20","2.5","OS0074","Friedrich, Alexandra; Kunz, Martin; Suard, Emmanuelle","Temperature-dependent neutron powder diffraction study of the Ba(OD)~2~ polymorphs: a new low-temperature phase","Acta Crystallographica Section B","2001","57","6","747","758","10.1107/S0108768101013647","","neutron","1.59432","neutron","","","","","","","","","","1.76","","","","","","","has coordinates","176435","2020-10-21","18:00:00","" "2103764","11.1191","0.0005","16.6694","0.0009","7.142","0.0004","90","","90","","90","","1323.76","0.12","552","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","deuterated barium hydroxide","","- Ba D2 O2 -","- Ba D2 O2 -","- Ba20 D40 O40 -","20","2.5","OS0074","Friedrich, Alexandra; Kunz, Martin; Suard, Emmanuelle","Temperature-dependent neutron powder diffraction study of the Ba(OD)~2~ polymorphs: a new low-temperature phase","Acta Crystallographica Section B","2001","57","6","747","758","10.1107/S0108768101013647","","neutron","1.59432","neutron","","","","","","","","","","1.31","","","","","","","has coordinates","176435","2020-10-21","18:00:00","" "2103765","9.34892","0.00014","7.86485","0.00012","6.75254","0.0001","90","","95.6551","0.0008","90","","494.083","0.013","10","","","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","deuterated barium hydroxide","","- Ba D2 O2 -","- Ba D2 O2 -","- Ba8 D16 O16 -","8","2","OS0074","Friedrich, Alexandra; Kunz, Martin; Suard, Emmanuelle","Temperature-dependent neutron powder diffraction study of the Ba(OD)~2~ polymorphs: a new low-temperature phase","Acta Crystallographica Section B","2001","57","6","747","758","10.1107/S0108768101013647","","neutron","1.59432","neutron","","","","","","","","","","1.45","","","","","","","has coordinates","176435","2020-10-21","18:00:00","" "2103766","9.4098","0.0003","7.9101","0.0003","6.7759","0.0002","90","","95.7651","0.0018","90","","501.8","0.03","295","2","","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","deuterated barium hydroxide","","- Ba D2 O2 -","- Ba D2 O2 -","- Ba8 D16 O16 -","8","2","OS0074","Friedrich, Alexandra; Kunz, Martin; Suard, Emmanuelle","Temperature-dependent neutron powder diffraction study of the Ba(OD)~2~ polymorphs: a new low-temperature phase","Acta Crystallographica Section B","2001","57","6","747","758","10.1107/S0108768101013647","","neutron","1.59432","neutron","","","","","","","","","","1.93","","","","","","","has coordinates","176435","2020-10-21","18:00:00","" "2103767","9.35056","0.00015","7.86586","0.00012","6.75282","0.0001","90","","95.6551","0.0008","90","","494.254","0.013","50","","","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","deuterated barium hydroxide","","- Ba D2 O2 -","- Ba D2 O2 -","- Ba8 D16 O16 -","8","2","OS0074","Friedrich, Alexandra; Kunz, Martin; Suard, Emmanuelle","Temperature-dependent neutron powder diffraction study of the Ba(OD)~2~ polymorphs: a new low-temperature phase","Acta Crystallographica Section B","2001","57","6","747","758","10.1107/S0108768101013647","","neutron","1.59432","neutron","","","","","","","","","","1.36","","","","","","","has coordinates","176435","2020-10-21","18:00:00","" "2103768","9.35611","0.00015","7.86963","0.00012","6.75469","0.0001","90","","95.6564","0.0009","90","","494.92","0.013","100","","","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","deuterated barium hydroxide","","- Ba D2 O2 -","- Ba D2 O2 -","- Ba8 D16 O16 -","8","2","OS0074","Friedrich, Alexandra; Kunz, Martin; Suard, Emmanuelle","Temperature-dependent neutron powder diffraction study of the Ba(OD)~2~ polymorphs: a new low-temperature phase","Acta Crystallographica Section B","2001","57","6","747","758","10.1107/S0108768101013647","","neutron","1.59432","neutron","","","","","","","","","","1.34","","","","","","","has coordinates","176435","2020-10-21","18:00:00","" "2103769","9.36521","0.00016","7.87628","0.00013","6.75813","0.0001","90","","95.667","0.0009","90","","496.064","0.014","150","","","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","deuterated barium hydroxide","","- Ba D2 O2 -","- Ba D2 O2 -","- Ba8 D16 O16 -","8","2","OS0074","Friedrich, Alexandra; Kunz, Martin; Suard, Emmanuelle","Temperature-dependent neutron powder diffraction study of the Ba(OD)~2~ polymorphs: a new low-temperature phase","Acta Crystallographica Section B","2001","57","6","747","758","10.1107/S0108768101013647","","neutron","1.59432","neutron","","","","","","","","","","1.34","","","","","","","has coordinates","176435","2020-10-21","18:00:00","" "2103770","9.37718","0.00016","7.88503","0.00013","6.76289","0.0001","90","","95.6888","0.0009","90","","497.581","0.014","200","","","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","deuterated barium hydroxide","","- Ba D2 O2 -","- Ba D2 O2 -","- Ba8 D16 O16 -","8","2","OS0074","Friedrich, Alexandra; Kunz, Martin; Suard, Emmanuelle","Temperature-dependent neutron powder diffraction study of the Ba(OD)~2~ polymorphs: a new low-temperature phase","Acta Crystallographica Section B","2001","57","6","747","758","10.1107/S0108768101013647","","neutron","1.59432","neutron","","","","","","","","","","1.3","","","","","","","has coordinates","176435","2020-10-21","18:00:00","" "2103771","9.39124","0.00017","7.89581","0.00014","6.76818","0.00011","90","","95.7195","0.001","90","","499.372","0.015","250","","","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","deuterated barium hydroxide","","- Ba D2 O2 -","- Ba D2 O2 -","- Ba8 D16 O16 -","8","2","OS0074","Friedrich, Alexandra; Kunz, Martin; Suard, Emmanuelle","Temperature-dependent neutron powder diffraction study of the Ba(OD)~2~ polymorphs: a new low-temperature phase","Acta Crystallographica Section B","2001","57","6","747","758","10.1107/S0108768101013647","","neutron","1.59432","neutron","","","","","","","","","","1.32","","","","","","","has coordinates","176435","2020-10-21","18:00:00","" "2103772","9.40841","0.00016","7.90854","0.00013","6.77476","0.0001","90","","95.757","0.0009","90","","501.546","0.014","300","","","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","deuterated barium hydroxide","","- Ba D2 O2 -","- Ba D2 O2 -","- Ba8 D16 O16 -","8","2","OS0074","Friedrich, Alexandra; Kunz, Martin; Suard, Emmanuelle","Temperature-dependent neutron powder diffraction study of the Ba(OD)~2~ polymorphs: a new low-temperature phase","Acta Crystallographica Section B","2001","57","6","747","758","10.1107/S0108768101013647","","neutron","1.59432","neutron","","","","","","","","","","1.57","","","","","","","has coordinates","176435","2020-10-21","18:00:00","" "2103773","9.4576","0.0003","7.939","0.0002","6.7893","0.00019","90","","95.869","0.0015","90","","507.09","0.03","420","","","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","deuterated barium hydroxide","","- Ba D2 O2 -","- Ba D2 O2 -","- Ba8 D16 O16 -","8","2","OS0074","Friedrich, Alexandra; Kunz, Martin; Suard, Emmanuelle","Temperature-dependent neutron powder diffraction study of the Ba(OD)~2~ polymorphs: a new low-temperature phase","Acta Crystallographica Section B","2001","57","6","747","758","10.1107/S0108768101013647","","neutron","1.59432","neutron","","","","","","","","","","1.57","","","","","","","has coordinates","176435","2020-10-21","18:00:00","" "2103774","9.4881","0.0002","7.95273","0.00019","6.79846","0.00017","90","","95.9117","0.0013","90","","510.26","0.02","480","","","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","deuterated barium hydroxide","","- Ba D2 O2 -","- Ba D2 O2 -","- Ba8 D16 O16 -","8","2","OS0074","Friedrich, Alexandra; Kunz, Martin; Suard, Emmanuelle","Temperature-dependent neutron powder diffraction study of the Ba(OD)~2~ polymorphs: a new low-temperature phase","Acta Crystallographica Section B","2001","57","6","747","758","10.1107/S0108768101013647","","neutron","1.59432","neutron","","","","","","","","","","1.3","","","","","","","has coordinates","176435","2020-10-21","18:00:00","" "2103775","21.955","0.01","3.686","0.002","11.85","0.006","90","","110.656","0.01","90","","897.3","0.8","293","","293","","","","","","","","","3","C 1 2/m 1","-C 2y","12","","","","- Li O13 V6 -","- Li O13 V6 -","- Li4 O52 V24 -","4","0.5","OS0075","Björk, Helen; Lidin, Sven; Gustafsson, Torbjörn; Thomas, John O.","Superlattice formation in the lithiated vanadium oxide phases Li~0.67~V~6~O~13~ and LiV~6~O~13~","Acta Crystallographica Section B","2001","57","6","759","765","10.1107/S0108768101014264","","","0.71073","MolybdenumKα","","0.0269","0.0269","","0.0573","","0.0573","","","2.34","","","2.34","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00","" "2103776","21.848","0.002","3.6904","0.0003","17.245","0.002","90","","105.01","0.01","90","","1343","0.2","293","","","","","","","","","","","3","C 1 2/m 1","-C 2y","12","","","","- Li0.67 O13 V6 -","- Li0.666667 O13 V6 -","- Li4 O78 V36 -","6","0.75","OS0075","Björk, Helen; Lidin, Sven; Gustafsson, Torbjörn; Thomas, John O.","Superlattice formation in the lithiated vanadium oxide phases Li~0.67~V~6~O~13~ and LiV~6~O~13~","Acta Crystallographica Section B","2001","57","6","759","765","10.1107/S0108768101014264","","","0.71073","MoKα","","0.0373","0.0356","","","","0.0838","","","","","","3.78","","","","has coordinates","190381","2020-10-21","18:00:00","" "2103777","4.8177","0.0007","9.41","0.0012","26.719","0.003","90","","90","","90","","1211.3","0.3","110","1","110","1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","benzoylmethyl phenyl sulfone","","- C14 H12 O3 S -","- C14 H12 O3 S -","- C56 H48 O12 S4 -","4","1","OS0077","Wolf, W. M.","X-ray investigations of sulfur-containing fungicides. III. Intramolecular forces governing the conformation of a novel orthorhombic polymorph of benzoylmethyl phenyl sulfone, benzoylmethyl 4-chlorophenyl sulfone and benzoylphenylmethyl phenyl sulfone","Acta Crystallographica Section B","2001","57","6","806","814","10.1107/S0108768101016238","","","0.71073","MoKα","","0.041","0.0319","","","","0.0962","","","","","","1.226","","","","has coordinates","201972","2020-10-21","18:00:00","" "2103778","9.2145","0.0009","5.3594","0.0006","25.665","0.003","90","","98.448","0.009","90","","1253.7","0.2","290","2","290","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","benzoylmethyl phenyl sulfone","","- C14 H12 O3 S -","- C14 H12 O3 S -","- C56 H48 O12 S4 -","4","1","OS0077","Wolf, W. M.","X-ray investigations of sulfur-containing fungicides. III. Intramolecular forces governing the conformation of a novel orthorhombic polymorph of benzoylmethyl phenyl sulfone, benzoylmethyl 4-chlorophenyl sulfone and benzoylphenylmethyl phenyl sulfone","Acta Crystallographica Section B","2001","57","6","806","814","10.1107/S0108768101016238","","","0.71073","MoKα","","0.0576","0.0408","","","","0.1199","","","","","","1.085","","","","has coordinates","201972","2020-10-21","18:00:00","" "2103779","13.469","0.001","7.458","0.0001","26.656","0.002","90","","90","","90","","2677.6","0.3","290","2","290","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","benzoylmethyl 4-chlorophenyl sulfone","","- C14 H11 Cl O3 S -","- C14 H11 Cl O3 S -","- C112 H88 Cl8 O24 S8 -","8","1","OS0077","Wolf, W. M.","X-ray investigations of sulfur-containing fungicides. III. Intramolecular forces governing the conformation of a novel orthorhombic polymorph of benzoylmethyl phenyl sulfone, benzoylmethyl 4-chlorophenyl sulfone and benzoylphenylmethyl phenyl sulfone","Acta Crystallographica Section B","2001","57","6","806","814","10.1107/S0108768101016238","","","1.54178","CuKα","","0.0751","0.0636","","","","0.1976","","","","","","1.051","","","","has coordinates","201972","2020-10-21","18:00:00","" "2103780","9.1282","0.0008","17.2532","0.0019","10.867","0.0011","90","","105.794","0.007","90","","1646.8","0.3","290","2","290","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","benzoylphenylmethyl phenyl sulfone","","- C20 H16 O3 S -","- C20 H16 O3 S -","- C80 H64 O12 S4 -","4","1","OS0077","Wolf, W. M.","X-ray investigations of sulfur-containing fungicides. III. Intramolecular forces governing the conformation of a novel orthorhombic polymorph of benzoylmethyl phenyl sulfone, benzoylmethyl 4-chlorophenyl sulfone and benzoylphenylmethyl phenyl sulfone","Acta Crystallographica Section B","2001","57","6","806","814","10.1107/S0108768101016238","","","0.71073","MoKα","","0.0466","0.0363","","","","0.1013","","","","","","0.989","","","","has coordinates","201972","2020-10-21","18:00:00","" "2106179","7.86","","7.86","","5.024","","90","","90","","90","","310.381","","","","","","","","","","","","","4","P -4 21 m","P -4 2ab","113","","Ca2 Mg (Si2 O7)","","- Ca2 Mg O7 Si2 -","- Ca2 Mg O7 Si2 -","- Ca4 Mg2 O14 Si4 -","2","0.25","","Bindi, L.; Chapuis, G.; Bonazzi, P.; Petricek, V.; Dusek, M.","Five-dimensional structure refinement of natural melilite, (Ca1.89 Sr0.01 Na0.08 K0.02) (Mg0.92 Al0.08) (Si1.98 Al0.02) O7","Acta Crystallographica B (39,1983-)","2001","57","","739","746","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "2106195","5.835","","3.349","","12.082","","90","","90","","90","","236.099","","","","","","","","","","","","","4","C c m m","-C 2c 2c","63","","In (Fe0.23 Ti0.73) O2","","- Fe0.23 In O2 Ti0.73 -","- Fe0.23 In O2 Ti0.73 -","- Fe0.92 In4 O8 Ti2.92 -","4","0.25","","Michiue, Y.; Onoda, M.; Watanabe, M.; Brown, F.; Kimizuka, N.","Modulated structure of the pseudohexagonal In Fe1-x-4d Tix+3d O3+x/2 (x=0.61) composite crystal","Acta Crystallographica B (39,1983-)","2001","57","","458","465","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "2106196","5.835","","2.568","","12.082","","90","","90","","90","","181.04","","","","","","","","","","","","","1","C c m m","-C 2c 2c","63","","","","- O -","- O -","- O4 -","4","0.25","","Michiue, Y.; Onoda, M.; Kimizuka, N.; Watanabe, M.; Brown, F.","Modulated structure of the pseudohexagonal In Fe1-x-4d Tix+3d O3+x/2 (x=0.61) composite crystal","Acta Crystallographica B (39,1983-)","2001","57","","458","465","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00","" "2106220","6.707","","4.12","","8.025","","90","","90","","90","","221.754","","","","","","","","","","","","","2","P n m a","-P 2ac 2n","62","","","","- Na2 S -","- Na2 S -","- Na8 S4 -","4","0.5","","Vegas, A.; Grzechnik, A.; Syassen, K.; Hanfland, M.; Loa, I.; Jansen, M.","Reversible phase transitions in Na2 S under pressure: a comparison with the cation array in Na2 S O4","Acta Crystallographica B (39,1983-)","2001","57","","151","156","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00","" "2106221","4.4269","","4.4269","","5.815","","90","","90","","120","","98.692","","","","","","","","","","","","","2","P 63/m m c","-P 6c 2c","194","","","","- Na2 S -","- Na2 S -","- Na4 S2 -","2","0.0833333","","Vegas, A.; Grzechnik, A.; Jansen, M.; Hanfland, M.; Loa, I.; Syassen, K.","Reversible phase transitions in Na2 S under pressure: a comparison with the cation array in Na2 S O4","Acta Crystallographica B (39,1983-)","2001","57","","151","156","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00","" "2200015","6.628","0.001","10.218","0.001","19.889","0.001","90","","90","","90","","1347","0.3","293","2","","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C15 H22 O -","- C15 H22 O -","- C60 H88 O4 -","4","1","BT6000","Yokochi, Alex F. T.; White, James D.; Sturtz, George","Vulgarone B","Acta Crystallographica Section E","2001","57","1","o99","o101","10.1107/S1600536800020079","","","1.54178","CuKα","","0.056","0.05","","","","0.132","","","","","","1.069","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00","" "2200016","5.807","0.0012","8.097","0.0016","18.513","0.004","90","","98.35","0.03","90","","861.2","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","N,N-Ethylenebis(p-toluenesulfonamide)","","- C16 H20 N2 O4 S2 -","- C16 H20 N2 O4 S2 -","- C32 H40 N4 O8 S4 -","2","0.5","BT6001","Gajadhar-Plummer, Alison S.; Kahwa, Ishenkumba A.; Mague, Joel T.","N,N'-Ethylenebis(p-toluenesulfonamide)","Acta Crystallographica Section E","2001","57","1","o68","o69","10.1107/S1600536800020298","","","0.71073","MoKα","","0.055","0.036","","","","0.11","","","","","","1.033","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00","" "2200017","18.2451","0.0016","18.2451","0.0016","10.6667","0.0008","90","","90","","90","","3550.8","0.5","240","","240","","","","","","","","","3","I 41/a :1","I 4bw -1bw","88","","","","- C8 H14 N2 -","- C8 H14 N2 -","- C128 H224 N32 -","16","1","CF6000","Foces-Foces, Concepción; Trofimenko, Swiatoslaw","5-tert-Butyl-3-methyl-1H-pyrazole at 240K","Acta Crystallographica Section E","2001","57","1","o32","o34","10.1107/S1600536800018511","","","1.54178","CuKα","","0.109","0.088","","0.138","","0.117","","","0.982","","","0.989","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00","" "2200018","11.148","0.003","5.822","0.002","10.813","0.004","90","","110.39","0.02","90","","657.8","0.4","173","1","173","1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","dl-homoproline, dl-pipecolic acid","","","- C6 H11 N O2 -","- C6 H11 N O2 -","- C24 H44 N4 O8 -","4","1","CF6001","Stapleton, Clynton P. D.; Tiekink, Edward R. T.","DL-Piperidine-2-carboxylic acid","Acta Crystallographica Section E","2001","57","1","o75","o76","10.1107/S1600536800020092","","","0.71069","MoKα","","0.05","0.035","","","","0.128","","","","","","0.98","","","","has coordinates","201973","2020-10-21","18:00:00","" "2200019","11.609","0.005","18.907","0.005","9.878","0.005","90","","95.462","0.005","90","","2158.3","1.5","296","2","296","2","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","","","- C54 H56 N4 -","- C54 H56 N4 -","- C108 H112 N8 -","2","0.5","CF6002","Kubo, Kanji; Yamamoto, Emi; Sakurai, Tadamitsu; Mori, Akira","N,N',N'',N'''-Tetrakis(1-naphthylmethyl)-1,4,8,11-tetraazacyclotetradecane","Acta Crystallographica Section E","2001","57","1","o1","o3","10.1107/S1600536800017323","","","0.71073","MoKα","","0.29","0.052","","","","0.163","","","","","","0.87","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00","" "2200020","6.648","0.004","5.119","0.0009","13.124","0.005","90","","99.36","0.02","90","","440.7","0.3","100","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Azidoacetamide","","- C2 H4 N4 O -","- C2 H4 N4 O -","- C8 H16 N16 O4 -","4","1","CF6003","Kumasaki, Mieko; Kinbara, Kazushi; Wada, Yuji; Arai, Mitsuru; Tamura, Masamitsu","Azidoacetamide, a neutral small organic azide","Acta Crystallographica Section E","2001","57","1","o6","o8","10.1107/S160053680001850X","","","0.71073","MoKα","","","0.05","","","","0.095","","","","","","1.14","","","","has coordinates","201973","2020-10-21","18:00:00","" "2200021","7.9964","0.001","18.6031","0.001","10.9254","0.001","90","","101.274","0.005","90","","1593.9","0.3","293","2","293","2","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","6,7-dimethyl-3a,8a-dihydro-3H-8-oxa-cyclopenta[a]inden-5-yl benzoate","","- C20 H18 O3 -","- C20 H18 O3 -","- C80 H72 O12 -","4","1","CF6004","Czugler, Mátyás; Bombicz, Petra","6,7-Dimethyl-3a,8a-dihydro-3H-8-oxacyclopenta[a]inden-5-yl benzoate","Acta Crystallographica Section E","2001","57","1","o37","o38","10.1107/S1600536800018821","","","0.7107","MoKα","","0.131","0.052","","","","0.158","","","","","","0.97","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00","" "2200022","10.1202","0.0003","9.9645","0.0003","13.8592","0.0005","90","","110.774","0.0011","90","","1306.73","0.07","150","2","150","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","8-(2-Phenylethylamino)quinoline","","- C17 H16 N2 -","- C17 H16 N2 -","- C68 H64 N8 -","4","1","CF6005","Lynch, Daniel E.; McClenaghan, Ian","8-(2-Phenylethylamino)quinoline","Acta Crystallographica Section E","2001","57","1","o4","o5","10.1107/S1600536800017864","","","0.71073","MoKα","","0.076","0.046","","","","0.126","","","","","","1.032","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00","" "2200023","20.281","0.003","8.925","0.002","6.053","0.001","90","","93.112","0.012","90","","1094","0.3","293","2","293","2","","","","","","","","5","C 1 2 1","C 2y","5","oxazolidine disulfide","R,R-(+)-Bis[(3-benzyloxazolan-4-yl)methyl] disulfide","","- C22 H28 N2 O2 S2 -","- C22 H28 N2 O2 S2 -","- C44 H56 N4 O4 S4 -","2","0.5","CF6006","Schulz Lang, Ernesto; Burrow, Robert A.; Braga, Antonio Luiz; Appelt, Helmoz Roseniaim; Schneider, Paulo Henrique; Silveira, Claudio Cruz; Wessjohann, Ludger A.","R,R-(+)-Bis[(3-benzyloxazolan-4-yl)methyl] disulfide","Acta Crystallographica Section E","2001","57","1","o41","o42","10.1107/S160053680001878X","","","0.71073","MoKα","","0.066","0.034","","","","0.087","","","","","","1.1","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00","" "2200024","17.0355","0.0009","17.0355","0.0009","12.3934","0.0005","90","","90","","120","","3114.8","0.3","298","2","298","2","","","","","","","","4","R -3 :H","-R 3","148","","aqua(malonato)cadmium(II) hydrate","","- C3 H6 Cd O6 -","- C3 H6 Cd O6 -","- C54 H108 Cd18 O108 -","18","1","CF6007","Naumov, Pancě; Ristova, Mirjana; Sǒptrajanov, Bojan; Kim, Moon-Jib; Lee, Han-Jun; Ng, Seik Weng","A rhombohedral polymorph of aqua(malonato)cadmium(II) hydrate","Acta Crystallographica Section E","2001","57","1","m14","m16","10.1107/S1600536800018833","","","0.71073","MoKα","","0.034","0.03","","","","0.088","","","","","","1.15","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00","" "2200025","17.473","0.005","5.916","0.002","10.346","0.003","90","","118.69","0.02","90","","938.2","0.5","298","2","298","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","Bis(2-hydroxyethylammonium) oxalate","","- C6 H16 N2 O6 -","- C6 H16 N2 O6 -","- C24 H64 N8 O24 -","4","0.5","CF6008","Jordanovska, Vera; Naumov, Pancě; Kim, Moon-Jib; Lee, Han-Jun; Ng, Seik Weng","Bis(2-hydroxyethylammonium) oxalate","Acta Crystallographica Section E","2001","57","1","o45","o47","10.1107/S160053680001881X","","","0.71073","MoKα","","0.089","0.041","","","","0.114","","","","","","1.01","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00","" "2200027","7.3171","0.0003","10.6462","0.0006","21.0401","0.0014","90","","90","","90","","1639.01","0.16","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","9β,11β-Epoxy-3β-hydroxy-5α-androstan-17-one","","- C19 H28 O3 -","- C19 H28 O3 -","- C76 H112 O12 -","4","1","CF6010","Novoa de Armas, Héctor; Peeters, Oswald M.; Blaton, Norbert M.; De Ranter, Camiel J.; Ruíz Garcia, José A.; Reyes Moreno, Mayra; Alvarez Ginarte, Yoanna M.","9β,11β-Epoxy-3β-hydroxy-5α-androstan-17-one","Acta Crystallographica Section E","2001","57","1","o39","o40","10.1107/S1600536800018845","","","1.5418","CuKα","","0.037","0.036","","","","0.103","","","","","","1.07","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00","" "2200028","8.061","0.002","12.449","0.003","11.132","0.003","90","","109.73","0.01","90","","1051.5","0.5","168","2","168","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H9 N O2 -","- C14 H9 N O2 -","- C56 H36 N4 O8 -","4","1","CF6012","Taylor, Max R.; Thompson, Malcolm J.","4-Nitrophenanthrene","Acta Crystallographica Section E","2001","57","1","o9","o10","10.1107/S1600536800018766","","","0.71073","MoKα","","0.058","0.049","","0.12","","0.11","","","1.03","","","0.99","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00","" "2200029","14.88","0.002","4.6251","0.0005","20.043","0.003","90","","100.963","0.019","90","","1354.2","0.3","180","2","180","2","","","","","","","","4","P 1 21 1","P 2yb","4","","1-[(2-phenyl-1,3-oxazol-4-yl)methyl]-1H-1,2,3-benzotriazole","","- C16 H12 N4 O -","- C16 H12 N4 O -","- C64 H48 N16 O4 -","4","2","CF6013","Swaleh, Sauda, M.; Ziemer, Burkhard","2-[(2-Phenyl-1,3-oxazol-4-yl)methyl]-2H-1,2,3-benzotriazole","Acta Crystallographica Section E","2001","57","1","o35","o36","10.1107/S1600536800018808","","","0.71073","MoKα","","0.061","0.04","","","","0.082","","","","","","0.95","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00","" "2200030","13.299","0.003","19.82","0.001","6.6531","0.0007","90","","90","","90","","1753.7","0.4","297","1","","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C10 H24 Cl Co N6 O8 -","- C10 H24 Cl Co N6 O8 -","- C40 H96 Cl4 Co4 N24 O32 -","4","1","CF6015","Ohba, Shigeru; Yamada, Naoki; Eishima, Makoto","trans-Dinitro(1,4,8,11-tetraazacyclotetradecane-N,N',N'',N''')cobalt(III) perchlorate","Acta Crystallographica Section E","2001","57","1","m12","m13","10.1107/S1600536800018778","","","0.71073","MoKα","","","0.035","","","","0.108","","","","","","1.08","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00","" "2200031","11.05","0.002","18.964","0.004","8.1307","0.0016","90","","108.87","0.03","90","","1612.2","0.6","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","4-Amino-6-imidium-1,3,5-dithiazol-4-ene iodide","","- C3 H6 I N3 S2 -","- C3 H6 I N3 S2 -","- C24 H48 I8 N24 S16 -","8","1","CF6017","Lynch, Daniel E.; McClenaghan, Ian","6-Amino-4-iminio-4H-1,3,5-dithiazole iodide","Acta Crystallographica Section E","2001","57","1","o70","o71","10.1107/S160053680002047X","","","0.71073","MoKα","","0.046","0.044","","","","0.109","","","","","","1.05","","","","has coordinates","201973","2020-10-21","18:00:00","" "2200032","15.9111","0.0006","5.0374","0.0002","17.1233","0.0009","90","","113.933","0.0017","90","","1254.44","0.1","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","11H-Pyridinium[2,3h]-7,8,9,10-tetrahydrocarbazole chloride","","- C15 H15 Cl N2 -","- C15 H15 Cl N2 -","- C60 H60 Cl4 N8 -","4","1","CF6018","Lynch, Daniel E.; McClenaghan, Ian","7,8,9,10-Tetrahydro-11H-pyrido[2,3-a]carbazol-1-ium chloride","Acta Crystallographica Section E","2001","57","1","o43","o44","10.1107/S1600536800019644","","","0.71073","MoKα","","0.102","0.048","","","","0.105","","","","","","0.99","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00","" "2200033","7.1704","0.0003","6.6685","0.0006","7.4937","0.0006","90","","99.555","0.005","90","","353.35","0.05","293","2","293","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","3-carboxypyridinium chloride","3-carboxypyridinium chloride","","- C6 H6 Cl N O2 -","- C6 H6 Cl N O2 -","- C12 H12 Cl2 N2 O4 -","2","0.5","CF6022","Slouf, Miroslav","3-Carboxypyridinium chloride","Acta Crystallographica Section E","2001","57","1","o61","o62","10.1107/S1600536800019632","","","0.7107","MoKα","","0.036","0.031","","","","0.077","","","","","","1.11","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00","" "2200034","8.405","0.002","10.2633","0.0014","15.9652","0.0015","90","","90","","90","","1377.2","0.4","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","[N-(2-Aminoethyl)-N,N-bis(3-aminopropyl)amine]dichlorocobalt(III) chloride","","- C8 H22 Cl3 Co N4 -","- C8 H22 Cl3 Co N4 -","- C32 H88 Cl12 Co4 N16 -","4","1","CF6023","Fanshawe, Rachel L.; Clark, Charles R.; Blackman, Allan G.","[N-(2-Aminoethyl)-N,N-bis(3-aminopropyl)amine]dichlorocobalt(III) chloride, [Co(abap)Cl~2~]Cl","Acta Crystallographica Section E","2001","57","1","m17","m18","10.1107/S1600536800019656","","","0.71073","MoKα","","0.025","0.023","","","","0.051","","","","","","1.05","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00","" "2200035","15.787","0.003","14.359","0.003","9.163","0.0015","90","","111.59","0.02","90","","1931.4","0.7","293","2","293","2","","","","","","","","6","C 1 c 1","C -2yc","9","","{2,2'-[1,2-Phenylenebis(nitrilomethylidyne)]diphenolato}copper(II) dichloromethane solvate","","- C21 H16 Cl2 Cu N2 O2 -","- C21 H16 Cl2 Cu N2 O2 -","- C84 H64 Cl8 Cu4 N8 O8 -","4","1","CF6024","Baggio, Ricardo; Garland, Maria Teresa; Atria, Ana María; Hidalgo, Oscar; Solezi, Santiago","{2,2'-[1,2-Phenylenebis(nitrilomethylidyne)]diphenolato}copper(II) dichloromethane solvate","Acta Crystallographica Section E","2001","57","1","m19","m20","10.1107/S1600536800019668","","","0.71073","MoKα","","0.074","0.048","","","","0.108","","","","","","1.02","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00","" "2200036","10.287","0.0014","10.729","0.002","13.1233","0.0013","90","","112.423","0.013","90","","1338.9","0.4","150","2","","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C13 H19 N O4 -","- C13 H19 N O4 -","- C52 H76 N4 O16 -","4","1","CF6025","Coles, Simon J.; Hibbs, David E.; Hursthouse, Michael B","5-tert-Butylperoxy-5-(oxiran-2-yl)-1-(prop-2-ynyl)pyrrolidin-2-one","Acta Crystallographica Section E","2001","57","1","o66","o67","10.1107/S1600536800020018","","","0.71069","MoKα","","","0.04","","","","0.096","","","","","","0.91","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00","" "2200037","6.887","0.001","18.847","0.003","14.947","0.003","90","","105.08","0.01","90","","1873.3","0.6","293","","293","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H14 Cl3 N3 -","- C20 H14 Cl3 N3 -","- C80 H56 Cl12 N12 -","4","1","CF6026","Camalli, Mercedes; Pifferi, Augusto; Costi, Roberta; Di Santo, Roberto; Massa, Silvio; Artico, Marino","1-{[4-(4-Chlorophenyl)-1H-pyrrol-3-yl](2,4-dichlorophenyl)methyl}-1H-imidazole (RDS 416)","Acta Crystallographica Section E","2001","57","1","o96","o98","10.1107/S1600536800020699","","","0.71069","MoKα","","0.041","0.041","","0.056","","0.056","","","0.9","","","0.9","","","","has coordinates","201973","2020-10-21","18:00:00","" "2200038","12.3112","0.001","6.8401","0.0005","13.1658","0.001","90","","116.507","0.002","90","","992.14","0.13","295","2","295","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","2-Naphthyloxyacetic acid","2-Naphthalenyloxyethanoic acid","","- C12 H10 O3 -","- C12 H10 O3 -","- C48 H40 O12 -","4","1","CF6027","Howie, R. Alan; Skakle, Janet M. S.; Wardell, Solange M. S. V.","Redetermination of 2-(naphthalen-2-yloxy)ethanoic acid","Acta Crystallographica Section E","2001","57","1","o72","o74","10.1107/S1600536800020080","","","0.71073","MoKα","","0.131","0.049","","","","0.126","","","","","","0.82","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00","" "2200039","8.857","0.003","17.813","0.011","24.085","0.003","90","","90","","90","","3800","3","150","2","150","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","6,6'-Di(isobutanoato)-2,2',3,3',4,4'-hexaacetato-α,α-trehalose monohydrate","","- C32 H47.4 O19.7 -","- C32 H47.404 O19.702 -","- C128 H189.616 O78.808 -","4","1","CF6028","Clow, Simon M.; Cox, Philip J.; Gilmore, Graham I.; Wardell, James L.","2,2',3,3',4,4'-Hexaacetato-6,6'-bis(isobutanoyl)-α,α-trehalose 0.7-hydrate","Acta Crystallographica Section E","2001","57","1","o77","o78","10.1107/S1600536800020705","","","0.71073","MoKα","","0.243","0.04","","","","0.1","","","","","","0.39","","","","has coordinates","176435","2020-10-21","18:00:00","" "2200040","7.2926","0.0002","9.3642","0.0003","13.1208","0.0005","90","","90","","90","","896.01","0.05","150","2","150","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Thiazolidine-2,4-dione","","- C3 H3 N O2 S -","- C3 H3 N O2 S -","- C24 H24 N8 O16 S8 -","8","1","CF6032","Lynch, Daniel E.; McClenaghan, Ian; Light, Mark E.","Redetermination of 1,3-thiazolidine-2,4-dione","Acta Crystallographica Section E","2001","57","1","o79","o80","10.1107/S1600536800020717","","","0.71073","MoKα","","0.035","0.031","","","","0.083","","","","","","1.09","","","","has coordinates,has disorder,has Fobs","194444","2020-10-21","18:00:00","" "2200041","4.8724","0.0003","15.2803","0.0009","10.694","0.0007","90","","101.84","0.003","90","","779.25","0.08","150","2","150","2","","","","","","","","4","P 1 21 1","P 2yb","4","Moschamindole","{2-(3-methoxy-4-hydroxyphenyl)}-dihydrofuro[kl]-1H- pyrrolo[fg]-2-oxo-1,2,3,4,5,6-hexahydro-3-benzazocine","","- C20 H18 N2 O4 -","- C20 H18 N2 O4 -","- C40 H36 N4 O8 -","2","1","CF6033","Cox, Philip J.; Fergusson, Margot; Nahar, Lutfun; Sarker, Satyajit D.","Moschamindole","Acta Crystallographica Section E","2001","57","1","o81","o82","10.1107/S1600536800020730","","","0.71073","MoKα","","0.088","0.046","","","","0.097","","","","","","0.99","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00","" "2200042","10.6185","0.0004","7.1517","0.0004","11.3701","0.0005","90","","111.523","0.003","90","","803.24","0.07","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","4-Methoxy-3-nitropyridinium chloride","","- C6 H7 Cl N2 O3 -","- C6 H7 Cl N2 O3 -","- C24 H28 Cl4 N8 O12 -","4","1","CF6034","Lynch, Daniel E.; McClenaghan, Ian","4-Methoxy-3-nitropyridinium chloride","Acta Crystallographica Section E","2001","57","1","o83","o84","10.1107/S1600536800020729","","","0.71073","MoKα","","0.078","0.043","","","","0.121","","","","","","1","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00","" "2200043","28.4777","0.0013","8.602","0.0003","14.2055","0.0005","90","","102.562","0.0013","90","","3396.5","0.2","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2-Amino-4,6-bis(4-chlorophenylthio)pyrimidine","","- C32 H22 Cl4 N6 S4 -","- C32 H22 Cl4 N6 S4 -","- C128 H88 Cl16 N24 S16 -","4","1","NA6000","Lynch, Daniel E.; McClenaghan, Ian","2-Amino-4,6-bis(4-chlorophenylthio)pyrimidine","Acta Crystallographica Section E","2001","57","1","o11","o12","10.1107/S160053680001761X","","","0.71073","MoKα","","0.119","0.056","","","","0.148","","","","","","0.965","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00","" "2200044","7.4145","0.0012","8.145","0.002","10.299","0.003","98.95","0.02","105.103","0.018","108.424","0.017","550.2","0.3","100","","100","","","","","","","","","4","P -1","-P 1","2","N,N'-diacetyl-1,13-diaza-24-crown-8","N,N'-Diacetyl-1,4,7,13,16,19-hexaoxa-10,22-diazacyclotetracosane","","- C20 H38 N2 O8 -","- C20 H38 N2 O8 -","- C20 H38 N2 O8 -","1","0.5","NA6001","Bryan, Jeffrey C.; Marchand, Alan P.; Hazlewood, Anna","N,N'-Diacetyl-1,13-diaza-24-crown-8","Acta Crystallographica Section E","2001","57","1","o13","o15","10.1107/S1600536800017852","","","0.71073","MoKα","","0.037","0.032","","","","0.087","","","","","","1.03","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00","" "2200045","16.397","0.003","10.819","0.002","7.6737","0.0015","90","","90","","90","","1361.3","0.4","150","2","150","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","8-(Isoindol-1,3-dione-2-yl)aminoquinoline","","- C17 H11 N3 O2 -","- C17 H11 N3 O2 -","- C68 H44 N12 O8 -","4","1","NA6002","Lynch, Daniel E.; McClenaghan, Ian","N-(8-Quinolylamino)phthalimide","Acta Crystallographica Section E","2001","57","1","o16","o17","10.1107/S1600536800018109","","","0.71073","MoKα","","0.066","0.048","","","","0.099","","","","","","1.184","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00","" "2200046","8.0995","0.0005","11.7771","0.0004","24.3528","0.0016","90","","99.473","0.003","90","","2291.3","0.2","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","Dibromo Zinc(tmeda)","Dibromo(N,N,N',N'-tetramethylethane-1,2-diamine)zinc(II)","","- C6 H16 Br2 N2 Zn -","- C6 H16 Br2 N2 Zn -","- C48 H128 Br16 N16 Zn8 -","8","2","NA6003","Citeau, Helene; Conrad, Olaf; Giolando, Dean M.","Dibromo(N,N,N',N'-tetramethylethane-1,2-diamine)zinc(II)","Acta Crystallographica Section E","2001","57","1","m5","m6","10.1107/S1600536800018201","","","0.71073","MoKα","","0.08","0.045","","","","0.112","","","","","","0.981","","","","has coordinates","176774","2020-10-21","18:00:00","" "2200047","7.4228","0.0002","10.146","0.0001","11.3559","0.0003","102.474","0.001","90.989","0.002","98.544","0.002","824.7","0.03","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","1-[4-(3,5-Dimethoxy-2-methylphenoxy)-2,6-dihydroxy-3-methylphenyl]ethanone","","- C18 H20 O6 -","- C18 H20 O6 -","- C36 H40 O12 -","2","1","NA6004","Karalai, Chatchanok; Saewon, Nisakorn; Chantrapromma, Kan; Chantrapromma, Suchada; Fun, Hoong-Kun; Razak, Ibrahim Abdul","1-[4-(3,5-Dimethoxy-2-methylphenoxy)-2,6-dihydroxy-3-methylphenyl]ethanone","Acta Crystallographica Section E","2001","57","1","o18","o19","10.1107/S1600536800018213","","","0.71073","MoKα","","0.115","0.084","","","","0.228","","","","","","1.006","","","","has coordinates","201973","2020-10-21","18:00:00","" "2200048","10.796","0.0005","18.1687","0.0008","20.1886","0.001","90","","90","","90","","3960","0.3","200","3","200","3","","","","","","","","3","P b c a","-P 2ac 2ab","61","P2 I5 GaI4","1,1,1,2,2-Pentaiododiphosphanium tetraiodogallate(III)","","- Ga I9 P2 -","- Ga I9 P2 -","- Ga8 I72 P16 -","8","1","NA6005","Aubauer, Christoph; Klapötke, Thomas M.; Mayer, Peter","1,1,1,2,2-Pentaiododiphosphanium tetraiodogallate(III)","Acta Crystallographica Section E","2001","57","1","i1","i2","10.1107/S1600536800018419","","","0.71073","MoKα","","0.036","0.027","","","","0.076","","","","","","0.963","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00","" "2200049","14.132","0.004","14.738","0.006","17.031","0.004","65.79","0.03","88.1","0.03","67.88","0.03","2966","2","193","","193","","","","","","","","","5","P -1","-P 1","2","Bis[1,2-bis(diphenylphosphino)ethane-P,P'](dithioformato-S,S')technetium tris(benzene) solvate","","","- C71 H67 P4 S2 Tc -","- C71 H67 P4 S2 Tc -","- C142 H134 P8 S4 Tc2 -","2","1","NA6006","Bryan, Jeffrey C.; Burrell, Anthony K.; Kubas, Gregory J.","Bis[1,2-bis(diphenylphosphino)ethane-P,P'](dithioformato-S,S')technetium tris(benzene) solvate","Acta Crystallographica Section E","2001","57","1","m1","m2","10.1107/S1600536800017840","","","0.71073","MoKα","","0.066","0.035","","","","0.104","","","","","","1.04","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00","" "2200050","10.3872","0.001","10.5518","0.0009","12.8953","0.0011","67.185","0.006","72.62","0.009","83.849","0.008","1243.3","0.2","203","","293","","","","","","","","","6","P -1","-P 1","2","chlorobis[1,2-ethanediylbis(diphenylphosphine)-P,P'](thiocarbonyl-C)technetium","","","- C59 H54 Cl P4 S Tc -","- C59 H54 Cl P4 S Tc -","- C59 H54 Cl P4 S Tc -","1","0.5","NA6007","Bryan, Jeffrey C.; Burrell, Anthony K.; Kubas, Gregory J.","[TcCl(CS)(dppe)~2~]·C~6~H~6~","Acta Crystallographica Section E","2001","57","1","m23","m24","10.1107/S1600536800019486","","","0.71073","MoKα","","0.04","0.032","","","","0.098","","","","","","1.24","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00","" "2200051","13.687","0.002","15.856","0.001","7.7761","0.0009","90","0.007","97.936","0.009","90","0.007","1671.4","0.3","293","","293","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Diaqua(1,4,7,10,14-pentaoxacyclopentadecane)manganese(II) dibromide","","- C10 H24 Br2 Mn O7 -","- C10 H24 Br2 Mn O7 -","- C40 H96 Br8 Mn4 O28 -","4","0.5","NA6008","Reid, Howard O. N.; Kahwa, Ishenkumba A.; Mague, Joel T.; McPherson, Gary L.","A linear supramolecular array of {[Mn(H~2~O)~2~(15-crown-5)]Br~2~}~n~","Acta Crystallographica Section E","2001","57","1","m3","m4","10.1107/S1600536800018110","","","0.71073","MoKα","","0.04","0.024","","","","0.086","","","","","","1.279","","","","has coordinates","176435","2020-10-21","18:00:00","" "2200052","10.3529","0.0001","16.1128","0.0001","15.04","0.0001","90","","107.025","0.001","90","","2398.94","0.03","203","2","203","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","[(1RS,4RS)-5,5,7,13,15,15-Hexamethyl-1,4,8,12-tetraazacyclopentadeca- 7,12-diene-N^1^,N^4^,N^8^,N^12^]nickel(II) diperchlorate","","- C17 H34 Cl2 N4 Ni O8 -","- C17 H34 Cl2 N4 Ni O8 -","- C68 H136 Cl8 N16 Ni4 O32 -","4","1","NA6009","Curtis, Neil F.; Waters, Joyce M.; Rickard, Clifton E.","[(1RS,4RS)-5,5,7,13,15,15-Hexamethyl-1,4,8,12-tetraazacyclopentadeca-7,12-diene-N^1^,N^4^,N^8^,N^12^]nickel(II) diperchlorate","Acta Crystallographica Section E","2001","57","1","m48","m50","10.1107/S1600536800020559","","","0.71073","MoKα","","0.051","0.042","","0.112","","0.105","","","1.044","","","1.058","","","","has coordinates,has disorder","176774","2020-10-21","18:00:00","" "2200054","4.797","0.001","11.886","0.002","23.775","0.005","90","","90","","90","","1355.6","0.5","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(2R,3S,4S,5R)-4-Hydroxy-3-iodo-5-methyltetrahydro-2-furylmethyl benzoate","","- C13 H15 I O4 -","- C13 H15 I O4 -","- C52 H60 I4 O16 -","4","1","NA6012","Bew, Sean P.; Light, Mark E.; Hursthouse, Michael B.; Knight, David W.; Middleton, Robert J.","(2R,3S,4S,5R)-4-Hydroxy-3-iodo-5-methyltetrahydro-2-furylmethyl benzoate","Acta Crystallographica Section E","2001","57","1","o58","o60","10.1107/S1600536800018614","","","0.71073","MoKα","","","0.027","","","","0.063","","","","","","1.049","","","","has coordinates","201973","2020-10-21","18:00:00","" "2200055","21.825","0.003","12.384","0.001","8.048","0.001","90","","90","","90","","2175.2","0.4","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","Ethylenediammonium phthalate","","- C10 H14 N2 O4 -","- C10 H14 N2 O4 -","- C80 H112 N16 O32 -","8","1","NA6013","Edwards, Selvin H.; Kahwa, Ishenkumba A.; Mague, Joel T.","Ethylenediammonium phthalate","Acta Crystallographica Section E","2001","57","1","o20","o21","10.1107/S1600536800018420","","","0.71073","MoKα","","0.108","0.039","","","","0.108","","","","","","1.012","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00","" "2200056","11.7634","0.0008","11.025","0.001","12.0322","0.0007","90","","115.378","0.001","90","","1409.89","0.18","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Diethylenetriamine dihdrophthalate","","- C12 H19 N3 O4 -","- C12 H19 N3 O4 -","- C48 H76 N12 O16 -","4","1","NA6014","Edwards, Selvin H.; Kahwa, Ishenkumba A.; Mague, Joel T.","2,2'-Iminobis(ethylammonium) phthalate","Acta Crystallographica Section E","2001","57","1","o22","o23","10.1107/S1600536800018432","","","0.71073","MoKα","","0.105","0.04","","","","0.119","","","","","","1.023","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00","" "2200057","11.7629","0.0002","34.5731","0.0006","5.3477","0.0002","90","","90","","90","","2174.8","0.1","120","","120","","","","","","","","","5","P 21 21 2","P 2 2ab","18","","N^α^(2-nitrobenzenesulfonyl)-N^ε^-benzyloxycarbonyl-L-lysine","","- C20 H23 N3 O8 S -","- C20 H23 N3 O8 S -","- C80 H92 N12 O32 S4 -","4","1","NA6015","Giraldés, José; McLaughlin, Mark L.; Fronczek, Frank R.","N^{ε^}-Benzyloxycarbonyl-N^{α^}-(2-nitrobenzenesulfonyl)-L-lysine","Acta Crystallographica Section E","2001","57","1","o48","o49","10.1107/S1600536800018961","","","0.71073","MoKα","","0.058","0.039","","","","0.077","","","","","","1.046","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00","" "2200058","7.492","0.002","7.797","0.002","19.877","0.005","90","","94.962","0.005","90","","1156.8","0.5","298","2","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","4-methylthio-N-(2-chlorophenyl)triazine-2-amine","","- C10 H9 Cl N4 S -","- C10 H9 Cl N4 S -","- C40 H36 Cl4 N16 S4 -","4","1","NA6016","Chen, Wei-Qiang; Weng, Lin-Hong; Jin, Gui-Yu","2-(2-Chlorophenylamino)-4-methylsulfanyl-1,3,5-triazine","Acta Crystallographica Section E","2001","57","1","o91","o93","10.1107/S1600536800020237","","","0.71073","MoKα","","","0.031","","","","0.096","","","","","","1.041","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00","" "2200059","9.3236","0.0005","14.5789","0.0014","13.6184","0.0006","90","","95.361","0.004","90","","1843","0.2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Tris(nitrato)(1,4,7,10,13-pentaoxacyclopentadecane)praseodymium(III)","","- C10 H20 N3 O14 Pr -","- C10 H20 N3 O14 Pr -","- C40 H80 N12 O56 Pr4 -","4","1","NA6017","McIntosh, Nadine N.; Kahwa, Ishenkumba A.; Mague, Joel T.","Rare earth crown ether complexes: (15-crown-5)tris(nitrato)praseodymium(III)","Acta Crystallographica Section E","2001","57","1","m21","m22","10.1107/S1600536800019036","","","0.71073","MoKα","","0.045","0.027","","","","0.075","","","","","","1.043","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00","" "2200060","10.471","0.0004","9.37","0.0003","12.35","0.0004","90","","90","","90","","1211.7","0.07","150","","110","","","","","","","","","4","P n m a","-P 2ac 2n","62","","3-ethoxycarbonyl- 2,2,5,5-tetramethyl-1H-2,5-dihydropyrrol-1-yloxyl","","- C11 H18 N O3 -","- C11 H18 N O3 -","- C44 H72 N4 O12 -","4","0.5","NA6018","Duskova, Jarmila; Jiri Labsky; Jindrich Hasek; Ivana Cisarova","3-Ethoxycarbonyl-2,2,5,5-tetramethyl-1H-2,5-dihydropyrrol-1-yloxyl","Acta Crystallographica Section E","2001","57","1","o85","o86","10.1107/S1600536800019334","","","0.7107","MoKα","","0.056","0.044","","","","0.152","","","","","","1.215","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00","" "2200061","6.8351","0.0009","7.6342","0.001","21.422","0.003","90","","96.447","0.003","90","","1110.7","0.3","160","2","160","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(E)-2-(2-phenylethenyl)-1,3,2-benzodioxaborole","","- C14 H11 B O2 -","- C14 H11 B O2 -","- C56 H44 B4 O8 -","4","1","NA6019","Clegg, William; Marder, Todd B.; Scott, Andrew J.; Wiesauer, Christian; Weissensteiner, Walter","A 2-styrylboronate ester","Acta Crystallographica Section E","2001","57","1","o63","o65","10.1107/S1600536800019097","","","0.71073","MoKα","","0.042","0.037","","","","0.095","","","","","","1.06","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00","" "2200062","16.5665","0.001","16.78","0.0009","25.0342","0.001","90","","90","","90","","6959.2","0.6","293","2","293","2","","","","","","","","6","C m c a","-C 2ac 2","64","none","Tetrakis(hydroxonium) bis(tetrachlorogallate) dichloride cucurbituril decahydrate","","- C36 H68 Cl10 Ga2 N24 O26 -","- C36 H66 Cl10 Ga2 N24 O26 -","- C144 H264 Cl40 Ga8 N96 O104 -","4","","NA6021","Virovets, Alexander V.; Samsonenko, Denis G.; Sokolov, Maxim N.; Fedin, Vladimir P.","Supramolecular adduct of tetrachlorogallate with cucurbituril: (H~7~O~3~)~4~[GaCl~4~]~2~Cl~2~·C~36~H~36~N~24~O~12~·2H~2~O","Acta Crystallographica Section E","2001","57","1","m33","m34","10.1107/S1600536800019498","","","0.71073","MoKα","","0.072","0.051","","","","0.183","","","","","","1.044","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00","" "2200063","11.464","0.003","14.827","0.002","16.444","0.002","90","","90","","90","","2795.1","0.9","223","2","223","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","boc-Tyr-Tic","boc-tyrosyl-tetrahydroisoquinoline-3-carboxylic acid nitromethane solvate","","- C24.825 H30.475 N2.825 O7.65 -","- C24.825 H30.475 N2.825 O7.65 -","- C99.3 H121.9 N11.3 O30.6 -","4","1","NA6023","Deschamps, Jeffrey R.; Flippen-Anderson, Judith L.; George, Clifford","2-[N-(tert-Butoxycarbonyl)tyrosyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid nitromethane solvate","Acta Crystallographica Section E","2001","57","1","o87","o90","10.1107/S1600536800020109","","","1.54178","CuKα","","0.0794","0.0745","","0.2028","","0.1954","","","1.082","","","1.089","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00","" "2200064","9.718","0.0002","10.1871","0.0002","11.8751","0.0003","95.586","0.001","92.978","0.001","99.142","0.001","1152.45","0.04","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","Di(N-cyclohexyl-N-ethyldithiocarbamato)lead(II)","","- C18 H32 N2 Pb S4 -","- C18 H32 N2 Pb S4 -","- C36 H64 N4 Pb2 S8 -","2","1","NA6024","Baba, Ibrahim; Farina, Yang; Othman, A. Hamid; Razak, Ibrahim Abdul; Fun, Hoong-Kun; Ng, Seik Weng","Bis(N-cyclohexyl-N-ethyldithiocarbamato-S,S')lead(II)","Acta Crystallographica Section E","2001","57","1","m35","m36","10.1107/S1600536800020146","","","0.71073","MoKα","","0.108","0.053","","","","0.146","","","","","","0.991","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00","" "2200065","9.7249","0.0001","9.7249","0.0001","17.3867","0.0003","90","","90","","90","","1644.32","0.04","298","2","298","2","","","","","","","","4","P 41 21 2","P 4abw 2nw","92","","Tris(dimethyltin sulfide)","","- C6 H18 S3 Sn3 -","- C6 H18 S3 Sn3 -","- C24 H72 S12 Sn12 -","4","0.5","NA6025","Farina, Yang; Baba, Ibrahim; Othman, A. Hamid; Razak, Ibrahim Abdul; Fun, Hoong-Kun; Ng, Seik Weng","Tetragonal modification of 1,1,3,3,5,5-hexamethylcyclo-1,3,5-tristannathiane","Acta Crystallographica Section E","2001","57","1","m37","m38","10.1107/S1600536800020134","","","0.71073","MoKα","","0.055","0.037","","","","0.08","","","","","","0.937","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00","" "2200066","13.8948","0.0004","13.8948","0.0004","9.4868","0.0003","90","","90","","120","","1586.19","0.08","298","2","298","2","","","","","","","","5","P 63","P 6c","173","","Tris(N-cyclohexyl-N-methyldithiocarbamato)antimony(III)","","- C24 H42 N3 S6 Sb -","- C24 H42 N3 S6 Sb -","- C48 H84 N6 S12 Sb2 -","2","0.333333","NA6026","Baba, Ibrahim; Ibrahim, Sukeria; Farina, Yang; Othman, A. Hamid; Razak, Ibrahim Abdul; Fun, Hoong-Kun; Ng, Seik Weng","Tris(N-cyclohexyl-N-methyldithiocarbamato-S)antimony(III)","Acta Crystallographica Section E","2001","57","1","m39","m40","10.1107/S1600536800020122","","","0.71073","MoKα","","0.035","0.026","","","","0.054","","","","","","1.013","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00","" "2200067","8.9931","0.0001","12.2068","0.0001","22.6703","0.0003","90","","92.507","0.001","90","","2486.29","0.05","298","2","298","2","","","","","","","","6","P 1 2/c 1","-P 2yc","13","","Diphenylbis[N-(2-hydroxyethyl)-N-methyldithiocarbamato]tin","","- C20 H26 N2 O2 S4 Sn -","- C20 H26 N2 O2 S4 Sn -","- C80 H104 N8 O8 S16 Sn4 -","4","1","NA6027","Farina, Yang; Baba, Ibrahim; Othman, A. Hamid; Razak, Ibrahim Abdul; Fun, Hoong-Kun; Ng, Seik Weng","Bis[N-(2-hydroxyethyl)-N-methyldithiocarbamato-S,S']diphenyltin","Acta Crystallographica Section E","2001","57","1","m41","m42","10.1107/S1600536800020316","","","0.71073","MoKα","","0.089","0.054","","","","0.146","","","","","","0.98","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00","" "2200068","9.0118","0.0002","12.4051","0.0001","12.6024","0.0002","86.889","0.001","69.575","0.001","88.293","0.001","1318.24","0.04","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","Bis[N,N-bis(2-hydroxyethyl)dithiocarbamato-S,S']diphenyltin(IV)","","- C22 H30 N2 O4 S4 Sn -","- C22 H30 N2 O4 S4 Sn -","- C44 H60 N4 O8 S8 Sn2 -","2","1","NA6029","Farina, Yang; Baba, Ibrahim; Othman, A. Hamid; Ibrahim Abdul Razak; Fun, Hoong-Kun; Ng, Seik Weng","Bis[N,N-bis(2-hydroxyethyl)dithiocarbamato-S,S']diphenyltin(IV)","Acta Crystallographica Section E","2001","57","1","m46","m47","10.1107/S1600536800020407","","","0.71073","MoKα","","0.058","0.048","","","","0.112","","","","","","0.98","","","","has coordinates","201973","2020-10-21","18:00:00","" "2200069","10.8646","0.0001","15.0517","0.0001","11.2934","0.0001","90","","101.419","0.001","90","","1810.26","0.03","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Bis(μ-N-ethyl-N-isopropyldithiocarbamato-S:S')- bis[(N-ethyl-N-isopropyldithiocarbamato-S,S')zinc(II)]","","- C24 H48 N4 S8 Zn2 -","- C24 H48 N4 S8 Zn2 -","- C48 H96 N8 S16 Zn4 -","2","0.5","NA6030","Baba, Ibrahim; Farina, Yang; Othman, A. Hamid; Razak, Ibrahim Abdul; Fun, Hoong-Kun; Ng, Seik Weng","Bis(μ-N-ethyl-N-isopropyldithiocarbamato-S:S')bis[(N-ethyl-N-isopropyldithiocarbamato-S,S')zinc(II)]","Acta Crystallographica Section E","2001","57","1","m51","m52","10.1107/S1600536800020390","","","0.71073","MoKα","","0.045","0.038","","","","0.094","","","","","","0.972","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00","" "2200070","10.77","0.0011","11.1547","0.0011","15.941","0.003","91.088","0.011","102.471","0.011","116.993","0.007","1651.1","0.4","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C42.5 H36 O2 P2 -","- C42.5 H35.5 O2 P2 -","- C85 H71 O4 P4 -","2","1","NA6032","Ellis, Dianne D.; Spek, Anthony L.","[4-(Diphenylphosphino)-9,9-dimethylxanthen-5-yl]diphenylphosphine oxide toluene hemisolvate","Acta Crystallographica Section E","2001","57","1","o94","o95","10.1107/S1600536800020419","","","0.71073","MoKα","","0.094","0.058","","","","0.168","","","","","","1.012","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00","" "2200071","7.5746","0.0015","11.878","0.002","14.519","0.003","90","","100.47","0.03","90","","1284.5","0.4","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","2-Amino-5-(4-methoxybenzyl)-4-methyl-1,3-thiazolium chloride","","- C12 H15 Cl N2 O S -","- C12 H15 Cl N2 O S -","- C48 H60 Cl4 N8 O4 S4 -","4","1","OB6000","Lynch, Daniel E.; McClenaghan, Ian","2-Amino-5-(4-methoxybenzyl)-4-methyl-1,3-thiazolium chloride","Acta Crystallographica Section E","2001","57","1","o24","o25","10.1107/S1600536800017876","","","0.71073","MoKα","","0.071","0.05","","","","0.136","","","","","","1.009","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00","" "2200072","8.7937","0.0018","8.3091","0.0017","21.148","0.004","90","","95.73","0.03","90","","1537.5","0.5","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","2-Amino-4,6-bis(phenylthio)pyrimidine","","- C16 H13 N3 S2 -","- C16 H13 N3 S2 -","- C64 H52 N12 S8 -","4","1","OB6001","Lynch, Daniel E.; McClenaghan, Ian","2-Amino-4,6-bis(phenylthio)pyrimidine","Acta Crystallographica Section E","2001","57","1","o26","o27","10.1107/S1600536800017888","","","0.71073","MoKα","","0.077","0.046","","","","0.117","","","","","","1.004","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00","" "2200073","19.515","0.001","23.667","0.002","6.541","0.002","90","","90","","90","","3021","1","294","2","294","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C34 H33 Br O7 -","- C34 H33 Br O7 -","- C136 H132 Br4 O28 -","4","1","OB6002","Timothy J. Brenstrum; Margaret A. Brimble; Peter Turner","endo-(1'R,2'R,5'S,7'R,9'S)-2-(9'-Benzyloxy-2'-phenyl-3',6'-dioxabicyclo[3.2.2]nonan-7'-yl)-7-bromo-5,8-dimethoxynaphthalen-1-yl acetate","Acta Crystallographica Section E","2001","57","1","o28","o29","10.1107/S1600536800018092","","","1.54178","CuKα","","0.0703","0.0356","","","","0.1139","","","","","","1.023","","","","has coordinates","201973","2020-10-21","18:00:00","" "2200074","6.8206","0.0007","23.154","0.003","8.7018","0.0009","90","","105.38","0.002","90","","1325","0.3","294","2","294","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C28 H28 P2 Se2 -","- C28 H28 P2 Se2 -","- C56 H56 P4 Se4 -","2","0.5","OB6003","Hundal, Rajbir; Lobana, Tarlok S.; Turner, Peter","1,4-Butylenebis(diphenylphosphine selenide)","Acta Crystallographica Section E","2001","57","1","o30","o31","10.1107/S1600536800018754","","","0.71073","MoKα","","0.031","0.026","","","","0.075","","","","","","1.018","","","","has coordinates","176774","2020-10-21","18:00:00","" "2200075","10.222","0.001","12.594","0.002","17.301","0.003","79.05","0.011","85.982","0.014","74.883","0.009","2110.5","0.6","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","Tris(1,2-dimethoxyethane-O,O')sodium pentaphenylcyclopentadienide","","- C47 H55 Na O6 -","- C47 H55 Na O6 -","- C94 H110 Na2 O12 -","2","1","OB6005","Holl, Sven; Bock, Hans; Gharagozloo-Hubmann, Katayoun","Tris(1,2-dimethoxyethane-O,O')sodium pentaphenylcyclopentadienide","Acta Crystallographica Section E","2001","57","1","m31","m32","10.1107/S1600536800019619","","","0.71073","MoKα","","0.062","0.051","","","","0.152","","","","","","1.09","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00","" "2200076","6.2862","0.0003","6.8598","0.0002","9.2394","0.0004","96.511","0.003","104.929","0.002","113.692","0.003","341.77","0.03","123","2","123","2","","","","","","","","5","P -1","-P 1","2","trans-Bis(pyridine-4-carboxylate)tetraaquonickel(II)","trans-Bis(pyridine-4-carboxylate)tetraaquonickel(II)","","- C12 H16 N2 Ni O8 -","- C12 H16 N2 Ni O8 -","- C12 H16 N2 Ni O8 -","1","0.5","OB6007","Batten, Stuart R.; Harris, Alexander R.","trans-Tetraaquabis(pyridine-4-carboxylate-κN)nickel(II)","Acta Crystallographica Section E","2001","57","1","m7","m8","10.1107/S1600536800018730","","","0.71073","MoKα","","0.028","0.025","","","","0.058","","","","","","1.147","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00","" "2200077","14.0549","0.0007","6.817","0.0002","8.4359","0.0004","90","","118.137","0.002","90","","712.74","0.05","123","2","123","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","trans-Bis(pyridine-3-carboxylate)tetraaquonickel(II)","trans-Bis(pyridine-3-carboxylate)tetraaquonickel(II)","","- C12 H16 N2 Ni O8 -","- C12 H16 N2 Ni O8 -","- C24 H32 N4 Ni2 O16 -","2","0.25","OB6008","Batten, Stuart R.; Harris, Alexander R.","trans-Tetraaquabis(pyridine-3-carboxylate-κN)nickel(II)","Acta Crystallographica Section E","2001","57","1","m9","m11","10.1107/S1600536800018742","","","0.71073","MoKα","","0.04","0.032","","","","0.058","","","","","","1.118","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00","" "2200078","9.416","0.003","12.955","0.004","19.748","0.006","90","","103.792","0.003","90","","2339.5","1.3","298","2","","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","[bis(2-pyridyl)amine-N,N']copper(II) diperchlorate","","- C20 H18 Cl2 Cu N6 O8 -","- C20 H18 Cl2 Cu N6 O8 -","- C80 H72 Cl8 Cu4 N24 O32 -","4","0.5","OB6011","Du, Miao; Bu, Xian-He; Weng, Lin-Hong; Leng, Xue-Bing; Guo, Ya-Mei","Redetermination of [bis(2-pyridyl)amine-N,N']copper(II) diperchlorate","Acta Crystallographica Section E","2001","57","1","m25","m27","10.1107/S1600536800019103","","","0.71073","MoKα","","","0.043","","","","0.108","","","","","","1.04","","","","has coordinates","176774","2020-10-21","18:00:00","" "2200079","15.559","0.003","9.3139","0.0019","16.493","0.003","90","","102.08","0.03","90","","2337.2","0.8","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","2-Amino-4-chloro-6-(4-carbamoylpyperidinyl)pyrimidine hemihydrate","","- C10 H15 Cl N5 O1.5 -","- C10 H15 Cl N5 O1.5 -","- C80 H120 Cl8 N40 O12 -","8","1","OB6014","Lynch, Daniel E.; McClenaghan, Ian","2-Amino-4-chloro-6-(4-carbamoylpiperidin-1-yl)pyrimidine hemihydrate","Acta Crystallographica Section E","2001","57","1","o50","o51","10.1107/S1600536800019589","","","0.71073","MoKα","","0.057","0.041","","","","0.116","","","","","","1.019","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00","" "2200080","10.148","0.002","14.251","0.003","18.103","0.004","90","","90","","90","","2618","1","150","2","150","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","(E)-1-(2-Thienyl)ethanone 8-quinolylhydrozone","","- C15 H13 N3 S -","- C15 H13 N3 S -","- C120 H104 N24 S8 -","8","1","OB6015","Lynch, Daniel E.; McClenaghan, Ian","(E)-1-(2-Thienyl)ethanone 8-quinolylhydrozone","Acta Crystallographica Section E","2001","57","1","o52","o53","10.1107/S1600536800019607","","","0.71073","MoKα","","0.15","0.061","","","","0.17","","","","","","0.98","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00","" "2200081","12.721","0.003","7.8961","0.0016","16.617","0.003","90","","90","","90","","1669.1","0.6","150","2","150","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","2-Chloro-4-methylquinoline","","- C10 H8 Cl N -","- C10 H8 Cl N -","- C80 H64 Cl8 N8 -","8","1","OB6016","Lynch, Daniel E.; McClenaghan, Ian","2-Chloro-4-methylquinoline","Acta Crystallographica Section E","2001","57","1","o54","o55","10.1107/S1600536800019590","","","0.71073","MoKα","","0.06","0.043","","","","0.115","","","","","","1.02","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00","" "2200082","19.3539","0.0008","6.8609","0.0003","19.3579","0.0008","90","","112.325","0.002","90","","2377.77","0.18","150","2","150","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","2-(4-Pyridyl)pyrrolo[3,2-h]quinoline","","- C32 H22 N6 -","- C32 H22 N6 -","- C128 H88 N24 -","4","1","OB6017","Lynch, Daniel E.; McClenaghan, Ian; Light, Mark E.","2-(4-Pyridyl)pyrrolo[3,2-h]quinoline","Acta Crystallographica Section E","2001","57","1","o56","o57","10.1107/S1600536800019620","","","0.71073","MoKα","","0.07","0.044","","","","0.109","","","","","","0.89","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00","" "2200083","33.958","0.005","22.88","0.003","11.735","0.001","90","","90","","90","","9118","2","293","2","293","","","","","","","","","6","F d d 2","F 2 -2d","43","","","","- C20 H18 Cr2 N4 Ni O8 -","- C20 H18 Cr2 N4 Ni O8 -","- C320 H288 Cr32 N64 Ni16 O128 -","16","1","YA6000","Fernández-González, Nélida; González-Silgo, Cristina; González-Platas, Javier; Gili, Pedro; Martín-Zarza, Pedro","cis-Aquabis(2,2'-bipyridine-N,N')[dichromato(2‒)-O^1^]nickel(II)","Acta Crystallographica Section E","2001","57","1","m43","m45","10.1107/S1600536800020389","","","0.71073","MoKα","","0.046","0.029","","0.075","","0.075","","","1.08","","","1.08","","","","has coordinates","176774","2020-10-21","18:00:00","" "2200084","3.6271","0.0003","3.6271","0.0003","18.972","0.002","90","","90","","120","","216.15","0.03","298","2","298","2","","","","","","","","2","R -3 m :H","-R 3 2""","166","","","","- Ca2 N -","- Ca2 N -","- Ca6 N3 -","3","0.0833333","BR6000","Baker, Charles F.; Barker, Marten G.; Blake, Alexander J.","Calcium nitride (Ca~2~N), a redetermination","Acta Crystallographica Section E","2001","57","2","i6","i7","10.1107/S1600536801000472","","","0.71073","MoKα","","0.018","0.017","","","","0.038","","","","","","1.28","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00","" "2200085","7.056","0.001","16.376","0.003","5.585","0.001","90","","90","","90","","645.34","0.19","293","2","293","2","","","","","","","","4","P 21 21 2","P 2 2ab","18","Dieuropium(III) silicodimonophosphatediphosphate","Dieuropium(III) silicodimonophosphatediphosphate","","- Eu2 O15 P4 Si -","- Eu2 O15 P4 Si -","- Eu4 O30 P8 Si2 -","2","0.5","BR6001","Bennazha, Jamal; Boukhari, Ali; Holt, Elizabeth M.","Dieuropium(III) silicodimonophosphatediphosphate","Acta Crystallographica Section E","2001","57","2","i12","i14","10.1107/S1600536801001519","","","0.71073","MoKα","","0.026","0.025","","","","0.064","","","","","","1.065","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00","" "2200086","4.8982","0.001","4.8982","0.001","9.014","0.003","90","","90","","120","","187.29","0.08","293","2","293","2","","","","","","","","3","P 63/m m c","-P 6c 2c","194","","","","- Ba Li Sb -","- Ba Li Sb -","- Ba2 Li2 Sb2 -","2","0.0833333","BR6002","Monconduit, Laure; Belin, Claude","A new ternary antimonide phase, LiBaSb","Acta Crystallographica Section E","2001","57","3","i17","i18","10.1107/S160053680100201X","","","0.71069","MoKα","","0.0235","0.0219","","","","0.0546","","","","","","1.083","","","","has coordinates","176432","2020-10-21","18:00:00","" "2200087","5.2605","0.0004","8.9046","0.0006","9.7244","0.0007","75.685","0.001","77.487","0.002","73.489","0.001","417.89","0.05","298","","298","","","","","","","","","5","P -1","-P 1","2","","","","- H O8 P2 Rb Zn2 -","- H O8 P2 Rb Zn2 -","- H2 O16 P4 Rb2 Zn4 -","2","1","BR6003","Yule, Lisa J.; Harrison, William T. A.","Rubidium zinc phosphate, RbZn~2~(PO~4~)(HPO~4~)","Acta Crystallographica Section E","2001","57","2","i15","i16","10.1107/S1600536801001386","","","0.71073","MoKα","","","0.0537","","","","0.0626","","","","","","1.074","","","","has coordinates","176435","2020-10-21","18:00:00","" "2200088","6.7777","0.0002","7.0282","0.0001","8.097","0.0002","67.906","0.001","84.812","0.001","84.236","0.001","354.991","0.015","173","2","173","2","","","","","","","","4","P -1","-P 1","2","Calcium hydrogenphosphite monohydrate","","","- Ca H6 O7 P2 -","- Ca H6 O7 P2 -","- Ca2 H12 O14 P4 -","2","1","BR6004","Mahmoudkhani, Amir H.; Langer, Vratislav","Layered calcium hydrogenphosphite monohydrate at 173K","Acta Crystallographica Section E","2001","57","3","i19","i21","10.1107/S1600536801002665","","","0.71073","MoKα","","0.0308","0.0273","","","","0.0737","","","","","","1.05","","","","has coordinates","176774","2020-10-21","18:00:00","" "2200089","6.0283","0.0004","8.7916","0.0006","9.1191","0.0006","69.486","0.001","81.508","0.001","83.017","0.001","446.41","0.05","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","tin(II)oxalate tetrasodium hexafluorate","","- C6 F6 Na4 O12 Sn4 -","- C6 F6 Na4 O12 Sn4 -","- C6 F6 Na4 O12 Sn4 -","1","0.5","BR6005","Salami, Tolulope O.; Zavalij, Peter Y.; Oliver, Scott R. J.","BING-1: a tin‒oxalate‒sodium‒fluoride framework, Na~4~Sn~4~(C~2~O~4~)~3~F~6~","Acta Crystallographica Section E","2001","57","3","m111","m113","10.1107/S1600536801002409","","","0.71073","MoKα","","0.0395","0.0335","","","","0.0869","","","","","","0.986","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00","" "2200090","13.9969","0.0003","6.4803","0.0002","11.0211","0.0002","90","","105.596","0.0011","90","","962.85","0.04","120","","120","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","melanterite","","","- Fe H14 O11 S -","- Fe H14 O11 S -","- Fe4 H56 O44 S4 -","4","1","","Fronczek, Frank R.; Collins, Sibrina N.; Chan, Julia Y.","Refinement of ferrous sulfate heptahydrate (melanterite) with low-temperature CCD data","Acta Crystallographica, Section E","2001","57","","i26","i27","10.1107/S1600536801004202","","","","","","","","","","","","","","","","","","","","","has coordinates","176774","2020-10-21","18:00:00","" "2200091","4.8269","0.001","4.8269","0.001","4.866","0.001","90","","90","","120","","98.18","0.04","293","2","293","2","","","","","","","","3","P -3 1 m","-P 3 2","162","","","","- As2 Cd O6 -","- As2 Cd O6 -","- As2 Cd O6 -","1","0.0833333","","Matthias Weil","Cadmium(II) metaarsenate(V), CdAs~2~O~6~","Acta Crystallographica, Section E","2001","57","","i22","i23","10.1107/S1600536801003865","","","","","","","","","","","","","","","","","","","","","has coordinates","176774","2020-10-21","18:00:00","" "2200092","6.4818","0.0003","8.7975","0.0005","7.6367","0.0004","90","","98.753","0.001","90","","430.4","0.04","293","","293","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- H4 Mg O5 Se -","- H4 Mg O5 Se -","- H16 Mg4 O20 Se4 -","4","1","","Johnston, Magnus G.; Harrison, William T. A.","Magnesium selenite dihydrate, MgSeO~3~.2H~2~O","Acta Crystallographica, Section E","2001","57","","i24","i25","10.1107/S1600536801004135","","","","","","","","","","","","","","","","","","","","","has coordinates","176774","2020-10-21","18:00:00","" "2200093","6.9446","0.0014","9.0365","0.0014","4.853","0.0008","90","","101.77","0.01","90","","298.15","0.09","293","2","293","2","","","","","","","","3","C 1 2/m 1","-C 2y","12","Cadmium(II) diarsenate(V)","","","- As2 Cd2 O7 -","- As2 Cd2 O7 -","- As4 Cd4 O14 -","2","0.25","","Weil, Matthias","Cadmium(II) diarsenate(V), Cd~2~As~2~O~7~","Acta Crystallographica, Section E","2001","57","","i28","i29","10.1107/S1600536801004342","","","","","","","","","","","","","","","","","","","","","has coordinates","282068","2023-03-26","10:12:33","" "2200094","10.9197","0.0007","4.9876","0.0006","9.964","0.001","90","","92.273","0.006","90","","542.24","0.09","180","2","180","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","sebacic acid","octane-1,8-dicarboxylic acid","","- C10 H18 O4 -","- C10 H18 O4 -","- C20 H36 O8 -","2","0.5","BT6002","Bond, Andrew D.; Edwards, Marc R.; Jones, William","Sebacic acid","Acta Crystallographica Section E","2001","57","2","o141","o142","10.1107/S1600536801000794","","","0.71069","MoKα","","0.09","0.051","","","","0.139","","","","","","1.045","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00","" "2200095","22.622","0.002","4.7348","0.0002","9.6864","0.0007","90","","110.559","0.003","90","","971.44","0.12","180","2","180","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","azelaic acid","heptane-1,7-dicarboxylic acid","","- C9 H16 O4 -","- C9 H16 O4 -","- C36 H64 O16 -","4","0.5","BT6003","Bond, Andrew D.; Edwards, Marc R.; Jones, William","Azelaic acid","Acta Crystallographica Section E","2001","57","2","o143","o144","10.1107/S1600536801000800","","","0.71073","MoKα","","0.047","0.037","","","","0.096","","","","","","1.091","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00","" "2200096","19.141","0.004","3.8417","0.0004","11.564","0.002","90","","90","","90","","850.3","0.2","180","2","180","2","","","","","","","","3","P c a 21","P 2c -2ac","29","4,7-phenanthroline","4,7-phenanthroline","","- C12 H8 N2 -","- C12 H8 N2 -","- C48 H32 N8 -","4","1","BT6004","Bond, Andrew D.; Shan, Ning; Jones, William","4,7-Phenanthroline","Acta Crystallographica Section E","2001","57","2","o145","o146","10.1107/S1600536801000812","","","0.71073","MoKα","","0.093","0.063","","","","0.161","","","","","","1.093","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00","" "2200097","11.031","0.005","16.639","0.005","6.813","0.005","95.381","0.005","94.53","0.005","104.686","0.005","1197.4","1.1","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C26 H33 N O3 -","- C26 H33 N O3 -","- C52 H66 N2 O6 -","2","1","BT6005","Kubo, Kanji; Mori, Akira","4-Cyanophenyl 4-n-dodecanyloxybenzoate","Acta Crystallographica Section E","2001","57","2","o113","o115","10.1107/S1600536801000903","","","0.71073","MoKα","","0.257","0.059","","","","0.193","","","","","","0.911","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00","" "2200098","8.345","0.0003","8.5536","0.0003","12.6875","0.0005","90","","105.482","0.003","90","","872.77","0.06","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","9α-chloro-3β,11β-dihydroxy-5α-androstan-17-one","","- C19 H29 Cl O3 -","- C19 H29 Cl O3 -","- C38 H58 Cl2 O6 -","2","1","BT6006","Novoa de Armas, Héctor; Peeters, Oswald M.; Blaton, Norbert M.; De Ranter, Camiel J.; Ruíz Garcia, José A.; Reyes Moreno, Mayra; Alvarez Ginarte, Yoanna M.","9α-Chloro-3β,11β-dihydroxy-5α-androstan-17-one","Acta Crystallographica Section E","2001","57","2","o166","o167","10.1107/S1600536801001490","","","1.5418","CuKα","","0.0335","0.0332","","","","0.099","","","","","","1.095","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00","" "2200099","10.193","0.002","11.159","0.002","14.253","0.003","105.14","0.03","103.09","0.03","92.3","0.03","1515.7","0.6","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C27 H30 Co N3 S6 -","- C27 H30 Co N3 S6 -","- C54 H60 Co2 N6 S12 -","2","1","BT6007","Ondrušová, Darina; Koman, Marian; Jóna, Eugen; Pajtášová, Maria; Glowiak, Tadeus","Tris(N-ethyl-N-phenyldithiocarbamato-S,S')cobalt(III)","Acta Crystallographica Section E","2001","57","4","m172","m173","10.1107/S1600536801005128","","","0.71073","MoKα","","0.1805","0.0579","","","","0.1849","","","","","","0.856","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00","" "2200100","5.3169","0.0003","6.1524","0.0003","15.9722","0.0008","90","","92.5","0.01","90","","521.98","0.05","297","2","297","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","Bis(methylperthiocarboxylato)nickel(II)","","","- C4 H6 Ni S6 -","- C4 H6 Ni S6 -","- C8 H12 Ni2 S12 -","2","0.5","BT6010","Mahmoudkhani, Amir H.; Langer, Vratislav","On the reaction of nickel(II) ions with thiolacetic acid","Acta Crystallographica Section E","2001","57","3","m92","m94","10.1107/S1600536801001994","","","0.71073","MoKα","","0.0394","0.0339","","","","0.0872","","","","","","1.023","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00","" "2200101","7.3714","0.0004","12.9097","0.0008","15.7403","0.0009","90","","97.732","0.001","90","","1484.27","0.15","295","2","295","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Bis(triethanolamine-N,O,O')nickel(II) bis(saccharinate)","","- C26 H38 N4 Ni O12 S2 -","- C26 H38 N4 Ni O12 S2 -","- C52 H76 N8 Ni2 O24 S4 -","2","0.5","BT6011","Topcu, Yildiray; Andac, Omer; Yilmaz, Veysel T.; Harrison, William T. A.","Bis(triethanolamine-N,O,O')nickel(II) bis(saccharinate)","Acta Crystallographica Section E","2001","57","2","m82","m84","10.1107/S1600536801001878","","","0.71069","MoKα","","0.0763","0.0483","","","","0.1427","","","","","","0.99","","","","has coordinates","176774","2020-10-21","18:00:00","" "2200102","13.189","0.003","8.577","0.002","20.195","0.004","90","","90","","90","","2284.5","0.9","150","2","150","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","4-Chloro-2-methylthio-6-(piperidin-1-yl)pyrimidine","","- C10 H14 Cl N3 S -","- C10 H14 Cl N3 S -","- C80 H112 Cl8 N24 S8 -","8","1","BT6012","Lynch, Daniel E.; McClenaghan, Ian","4-Chloro-2-methylthio-6-(1-piperidyl)pyrimidine","Acta Crystallographica Section E","2001","57","3","o200","o201","10.1107/S1600536801001982","","","0.71073","MoKα","","0.0525","0.0412","","","","0.1165","","","","","","1.056","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00","" "2200103","7.982","0.002","10.492","0.002","19.95","0.003","90","","106.578","0.019","90","","1601.3","0.6","293","1","293","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","5-Dimethylamino-N,N-dimethyl-3-(4-pyridyl)-2,4-pentadieniminium tetrafluoroborate","","- C14 H20 B F4 N3 -","- C14 H20 B F4 N3 -","- C56 H80 B4 F16 N12 -","4","1","BT6013","Ferguson, George; Jennings, Michael C.; McAlees, Alan J.; McCrindle, Robert","5-Dimethylamino-N,N-dimethyl-3-(4-pyridyl)-2,4-pentadieniminium tetrafluoroborate","Acta Crystallographica Section E","2001","57","3","o202","o204","10.1107/S1600536801002008","","","0.71073","MoKα","","0.0927","0.0565","","","","0.1949","","","","","","1.044","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00","" "2200104","15.117","0.0013","11.6285","0.0006","19.9737","0.0016","90","","101.624","0.01","90","","3439.1","0.5","223","2","223","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C28 H16 Cl12 N6 -","- C28 H16 Cl12 N6 -","- C112 H64 Cl48 N24 -","4","1","BT6014","Alfonso, Montserrat; Stoeckli-Evans, Helen","1,6,7,12,13,18-Hexaazatrinaphthylene tetrachloroform solvate","Acta Crystallographica Section E","2001","57","3","o242","o244","10.1107/S1600536801002938","","","0.71073","MoKα","","0.1813","0.0363","","","","0.0638","","","","","","0.569","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00","" "2200105","8.985","0.0013","8.985","0.0013","12.265","0.003","90","","90","","90","","990.2","0.3","293","2","293","2","","","","","","","","5","P 43 21 2","P 4nw 2abw","96","","","","- C4 H8 I2 Pt S2 -","- C4 H8 I2 Pt S2 -","- C16 H32 I8 Pt4 S8 -","4","0.5","BT6015","Johansson, Maria H.; Engelbrecht, Hendrik P.","cis-(1,4-Dithiane-S,S')diiodoplatinum(II)","Acta Crystallographica Section E","2001","57","3","m114","m116","10.1107/S1600536801002951","","","0.71073","MoKα","","0.037","0.026","","","","0.049","","","","","","1.045","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00","" "2200106","7.467","0.002","16.217","0.003","19.318","0.004","90","","90","","90","","2339.3","0.9","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","4,6-Dichloro-2-methylthio-5-phenylpyrimidine","","- C11 H8 Cl2 N2 S -","- C11 H8 Cl2 N2 S -","- C88 H64 Cl16 N16 S8 -","8","2","BT6016","Lynch, Daniel E.; McClenaghan, Ian","4,6-Dichloro-2-methylthio-5-phenylpyrimidine","Acta Crystallographica Section E","2001","57","3","o264","o265","10.1107/S1600536801003154","","","0.71073","MoKα","","0.0405","0.0338","","","","0.0865","","","","","","1.056","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00","" "2200107","18.3035","0.0001","8.5629","0.0001","31.2876","0.0002","90","","94.7702","0.0004","90","","4886.75","0.07","200","","200","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C22 H14 Ir2 O10 W2 -","- C22 H14 Ir2 O10 W2 -","- C176 H112 Ir16 O80 W16 -","8","2","BT6017","Lucas, Nigel T.; Notaras, Eleni G. A.; Humphrey, Mark G.","W~2~Ir~2~(CO)~10~(η^5^-C~5~H~4~Me)~2~","Acta Crystallographica Section E","2001","57","4","m132","m133","10.1107/S1600536801003750","","","0.7107","MoKα","","0.0586","0.0423","","0.0758","","0.0537","","","2.4","","","1.812","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00","" "2200108","7.566","0.016","7.39","0.02","14.04","0.03","90","","90","","90","","785","3","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C4 H4 Mo2 N2 O6 -","- C4 H4 Mo2 N2 O6 -","- C16 H16 Mo8 N8 O24 -","4","0.5","BT6019","Liang, Yucang; Hong, Maochun; Cao, Rong; Sun, Daofeng; Weng, Jiabao","Polymeric tri-μ-oxo(pyrazine)molybdenum(VI)","Acta Crystallographica Section E","2001","57","4","m159","m161","10.1107/S160053680100441X","","","0.71073","MoKα","","0.0391","0.0345","","","","0.0856","","","","","","1.238","","","","has coordinates","211196","2020-10-21","18:00:00","" "2200109","16.8073","0.0001","9.5849","0.0001","19.0626","0.0002","90","","90.8932","0.0006","90","","3070.54","0.05","200","","200","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C34 H24 Ir2 O8 W2 -","- C34 H24 Ir2 O8 W2 -","- C136 H96 Ir8 O32 W8 -","4","1","BT6020","Lucas, Nigel T.; Notaras, Eleni G. A.; Humphrey, Mark G.","W~2~Ir~2~(μ~4~-η^2^-C~2~Ph~2~)(μ-CO)~4~(CO)~4~(η-C~5~H~4~Me)~2~","Acta Crystallographica Section E","2001","57","4","m143","m144","10.1107/S1600536801004123","","","0.7107","MoKα","","0.0344","0.0263","","0.0328","","0.0295","","","0.822","","","0.817","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00","" "2200110","7.0512","0.0006","7.3853","0.0006","18.4652","0.0014","90.022","0.001","96.985","0.001","115.63","0.001","859.02","0.12","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","Tetra(2,4-pyridinedicarboxylate)terazinc(II) octa-hydtate","","- C28 H28 N4 O24 Zn4 -","- C28 H28 N4 O24 Zn4 -","- C28 H28 N4 O24 Zn4 -","1","0.5","BT6022","Liang, Yucang; Hong, Maochun; Cao, Rong","Tetrakis(2,5-pyridinedicarboxylato)tetrazinc(II) octahydrate","Acta Crystallographica Section E","2001","57","4","m145","m147","10.1107/S1600536801004184","","","0.71073","MoKα","","0.0532","0.0408","","","0.1024","0.121","","","1.069","1.069","1.069","","","","","has coordinates","211196","2020-10-21","18:00:00","" "2200111","13.311","0.001","13.5395","0.0011","8.8727","0.0007","90","","107.801","0.002","90","","1522.5","0.2","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","Tetramethylammonium pentaiodide","","- C4 H12 I5 N -","- C4 H12 I5 N -","- C16 H48 I20 N4 -","4","0.5","BT6024","Filguieras, Carlos A. L.; Horn Jr, Adolfo; Skakle, Janet M. S.; Wardell, James L.","Tetramethylammonium pentaiodide","Acta Crystallographica Section E","2001","57","4","o338","o340","10.1107/S1600536801004536","","","0.71073","MoKα","","0.0679","0.0515","","","","0.1428","","","","","","1.049","","","","has coordinates","176435","2020-10-21","18:00:00","" "2200112","7.122","0.002","8.809","0.002","15.178","0.003","95.98","0.02","99.34","0.02","107.43","0.02","884.6","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","1-[3-(4-Chlorobenzylideneamino)-2-oxooxazolidin-5-ylmethyl]morpholinium chloride monohydrate","","- C15 H21 Cl2 N3 O4 -","- C15 H21 Cl2 N3 O4 -","- C30 H42 Cl4 N6 O8 -","2","1","BT6025","Bartczak, Tadeusz J.; Kruszynski, Rafal; Chilmonczyk, Zdzislaw; Cybulski, Jacek","4-[3-(4-Chlorobenzylideneamino)-2-oxooxazolidin-5-ylmethyl]morpholin-4-ium chloride monohydrate","Acta Crystallographica Section E","2001","57","4","o341","o343","10.1107/S1600536801004548","","","0.71073","MoKα","","0.049","0.043","","","","0.1202","","","","","","1.042","","","","has coordinates","176774","2020-10-21","18:00:00","" "2200113","7.8975","0.0004","17.6323","0.0008","15.1057","0.0007","90","","96.36","0.001","90","","2090.54","0.17","302","2","302","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","catena-Poly[[(2,2'-bipyridine-N,N')cobalt(II)]- μ-4,4'-oxydibenzoato-O,O':O'',O''']","","- C24 H16 Co N2 O5 -","- C24 H16 Co N2 O5 -","- C96 H64 Co4 N8 O20 -","4","1","BT6026","Skakle, Janet M. S.; Foreman, Mark R. St J.; Plater, M. John","catena-Poly[[(2,2'-bipyridine-N,N')cobalt(II)]-μ-4,4'-oxydibenzoato-O,O':O'',O''']","Acta Crystallographica Section E","2001","57","4","m169","m171","10.1107/S1600536801004949","","","0.71073","MoKα","","0.081","0.0416","","","","0.135","","","","","","0.936","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00","" "2200114","6.8004","0.0003","13.8358","0.0005","10.8658","0.0004","90","","97.896","0.001","90","","1012.66","0.07","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C H13 Br K N O7 -","- C H13 Br K N O7 -","- C4 H52 Br4 K4 N4 O28 -","4","1","CF6016","Willett, Roger D.","Tetraaqua(nitromethane)potassium bromide monohydrate","Acta Crystallographica Section E","2001","57","2","m53","m54","10.1107/S1600536800020791","","","0.71073","MoKα","","0.04","0.037","","","","0.092","","","","","","1.1","","","","has coordinates","176774","2020-10-21","18:00:00","" "2200115","8.7475","0.0002","15.553","0.001","20.359","0.001","90","","90","","90","","2769.8","0.2","298","","","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C32 H50 O -","- C32 H50 O -","- C128 H200 O4 -","4","1","CF6019","Auhmani, A.; Kossareva, E.; Eljamili, H.; Reglier, M.; Pierrot, M.; Benharref, A.","(1S,3S,8R,9S)-3,7,7,10-Tétraméthyl-9-[(1S,3S,8R,9S)-3,7,7-triméthyl-10-méthylènetricyclo[6,4,0,0^1,3^]dodéc-9-yloxy]tricyclo[6,4,0,0^1,3^]dodéc-10-ène","Acta Crystallographica Section E","2001","57","2","o102","o103","10.1107/S1600536800020547","","","0.71073","MoKα","","0.098","0.086","","0.06","","0.051","","","2.12","","","1.87","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00","" "2200116","20.038","0.004","11.358","0.002","12.043","0.002","90","","92.03","0.03","90","","2739.2","0.9","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","6-Chloro-2-methylthio-4-[(2-phenylethyl)amino]pyrimidine","","- C26 H28 Cl2 N6 S2 -","- C26 H28 Cl2 N6 S2 -","- C104 H112 Cl8 N24 S8 -","4","1","CF6020","Lynch, Daniel E.; McClenaghan, Ian","6-Chloro-2-methylthio-4-[(2-phenylethyl)amino]pyrimidine","Acta Crystallographica Section E","2001","57","3","o198","o199","10.1107/S1600536801001945","","","0.71073","MoKα","","0.0822","0.0477","","","","0.1232","","","","","","0.997","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00","" "2200117","5.4856","0.0004","9.906","0.001","12.227","0.001","73.429","0.004","77.443","0.007","78.576","0.007","614.98","0.09","298","","","","","","","","","","","4","P -1","-P 1","2","","","","- C12 H16 N2 O3 -","- C12 H16 N2 O3 -","- C24 H32 N4 O6 -","2","1","CF6029","Elmeslouhi, H.; Essassi, E. M.; Pierrot, M.","2-Carbamoyl-6-éthyl-3-phényl-2,3,5,6-tétrahydro-1,4,2-dioxazine","Acta Crystallographica Section E","2001","57","3","o205","o206","10.1107/S1600536801002203","","","0.71073","MoKα","","0.066","0.052","","0.064","","0.064","","","1.04","","","1.063","","","","has coordinates","176435","2020-10-21","18:00:00","" "2200118","7.224","0.002","15.521","0.002","20.404","0.001","90","","90","","90","","2287.8","0.7","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C25 H28 O8 -","- C25 H28 O8 -","- C100 H112 O32 -","4","1","CF6030","Ajees, A. Abdul; Sekar, K.; Parthasarathy, S.; Schenk, H.; Epe, B.; Mondon, A.","Tricoccin R6","Acta Crystallographica Section E","2001","57","2","o116","o117","10.1107/S1600536801000733","","","1.5418","CuKα","","0.038","0.033","","","","0.092","","","","","","1.036","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00","" "2200119","9.3","0.0005","15.2215","0.0005","9.7195","0.0005","90","","117.883","0.002","90","","1216.16","0.1","298","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H14 N2 O2 -","- C14 H14 N2 O2 -","- C56 H56 N8 O8 -","4","1","CF6031","Mustaphi, N. E.; Ferfra, S.; Essassi, E. M.; Pierrot, M.","1,4-Diallylquinoxaline-2,3(1H,4H)-dione","Acta Crystallographica Section E","2001","57","2","o176","o177","10.1107/S1600536801001076","","","0.71073","MoKα","","0.064","0.049","","0.064","","0.064","","","1.166","","","1.166","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00","" "2200120","8.8987","0.0013","14.305","0.0016","10.1286","0.0011","90","","97.096","0.009","90","","1279.5","0.3","298","","298","","","","","","","","","5","P 1 21 1","P 2yb","4","","Bis(dimethylglyoximato)[2,2-(dimethylcarbamoyl)ethyl] [(R)-1-phenylethylamine]cobalt(III)","","- C21 H35 Co N6 O5 -","- C21 H35 Co N6 O5 -","- C42 H70 Co2 N12 O10 -","2","1","CF6035","Ohgo, Yoshiki; Ohashi, Yuji; Shida, Mitsuru; Hagiwara, Mieko; Arai, Yoshifusa; Takeuchi, Seiji; Ohgo, Yoshiaki","[2-(N,N-Dimethylcarbamoyl)ethyl]bis(dimethylglyoximato)[(R)-1-phenylethylamine]cobalt(III)","Acta Crystallographica Section E","2001","57","2","m62","m64","10.1107/S1600536801001088","","","0.71073","MoKα","","0.061","0.045","","","","0.122","","","","","","1.016","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00","" "2200121","11.505","0.003","8.484","0.002","14.616","0.004","90","","99.42","0.03","90","","1407.4","0.6","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","fern-9(11)-en-6α-ol‒methanol (1/1)","","- C31 H54 O2 -","- C31 H54 O2 -","- C62 H108 O4 -","2","1","CF6036","Bhattacharyya, Kinkini; Kar, Tanusree; Bocelli, Gabriele; Righi, Lara; Venkateswarlu, Yenamandra; Reddy, V. L. Niranjan","Fern-9(11)-en-6α-ol‒methanol (1/1)","Acta Crystallographica Section E","2001","57","3","o228","o230","10.1107/S1600536801002215","","","1.54178","CuKα","","0.0552","0.0519","","","","0.1578","","","","","","1.123","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00","" "2200122","17.174","0.005","7.38","0.005","11.393","0.005","90","","100.647","0.005","90","","1419.1","1.2","296","2","296","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C16 H14 N2 S -","- C16 H14 N2 S -","- C64 H56 N8 S4 -","4","1","CF6037","Mori, Akira; Kubo, Kanji; Yin, Bing Zhu; Takeshita, Hitoshi","2-(7-Isopropyl-2-methylcyclohepta[b]thiophen-8-ylidene)propanedinitrile","Acta Crystallographica Section E","2001","57","2","o118","o119","10.1107/S1600536801001064","","","0.71073","MoKα","","0.172","0.052","","","","0.143","","","","","","0.994","","","","has coordinates","201973","2020-10-21","18:00:00","" "2200123","18.238","0.002","21.984","0.003","10.586","0.001","90","","94.051","0.006","90","","4233.8","0.8","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H24 O4 S2 Sn -","- C18 H24 O4 S2 Sn -","- C144 H192 O32 S16 Sn8 -","8","2","CF6038","Yahyi, Abderrahmane; Et-touhami, Abdelkader; Zidane, Ismail; Benchat, Nour-eddine; El-Bali, Brahim; Bolte, Michael","Di-n-butylbis(thiophene-2-carboxylato-O,O')tin(IV)","Acta Crystallographica Section E","2001","57","2","m65","m66","10.1107/S160053680100126X","","","0.71073","MoKα","","0.031","0.024","","","","0.061","","","","","","1.132","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00","" "2200124","6.705","0.001","9.14","0.001","11.647","0.001","69.71","0.01","88.94","0.01","69.29","0.01","621.79","0.14","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- Eu H12 N3 O15 -","- Eu H12 N3 O15 -","- Eu2 H24 N6 O30 -","2","1","CF6039","Stumpf, Thorsten; Bolte, Michael","Tetraaquatrinitratoeuropium(III) dihydrate","Acta Crystallographica Section E","2001","57","2","i10","i11","10.1107/S1600536801001271","","","0.71073","MoKα","","0.018","0.016","","","","0.039","","","","","","1.125","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00","" "2200125","3.9158","0.0008","10.021","0.002","10.698","0.002","113.92","0.03","95.16","0.03","96.06","0.03","377.5","0.17","293","2","293","2","","","","","","","","5","P -1","-P 1","2","4,4'-Bipyridylium(di-μ-chloro-tetrachloro-di-copper)","","","- C10 H10 Cl6 Cu2 N2 -","- C10 H10 Cl6 Cu2 N2 -","- C10 H10 Cl6 Cu2 N2 -","1","0.5","CF6040","Näther, Christian; Jeß, Inke; Bolte, Michael","4,4'-Bipyridylium di-μ-chlorotetrachlorodicuprate(II): a redetermination","Acta Crystallographica Section E","2001","57","2","m78","m79","10.1107/S1600536801001283","","","0.71073","MoKα","","0.05","0.028","","","","0.068","","","","","","1.028","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00","" "2200126","7.47","0.004","11.11","0.003","16.242","0.003","90","","90","","90","","1348","0.8","293","1","293","1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","1,3-Bis(dimethylamino)-1-methyl-trimethinium hexafluorophosphate or N-[3-(Dimethylamino)-1-methyl-2-propenylidene]-N-methylmethanaminium hexafluorophosphate","","- C8 H17 F6 N2 P -","- C8 H17 F6 N2 P -","- C32 H68 F24 N8 P4 -","4","1","CF6041","Ferguson, George; McAlees, Alan J.; McCrindle, Robert","1,3-Bis(dimethylamino)-1-methyltrimethinium hexafluorophosphate","Acta Crystallographica Section E","2001","57","2","o168","o169","10.1107/S1600536801001507","","","0.71073","MoKα","","0.082","0.056","","","","0.185","","","","","","1.026","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00","" "2200127","24.493","0.004","6.365","0.002","12.859","0.008","90","","117.24","0.003","90","","1782.4","1.3","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","3-chloro-2-methylquinolin-4-one","","- C10 H8 Cl N O -","- C10 H8 Cl N O -","- C80 H64 Cl8 N8 O8 -","8","1","CF6042","Vasuki, G.; Parthasarathi, V.; Ramamurthi, K.; Jaisankar, P.; Varghese, B.","3-Chloro-2-methylquinolin-4(1H)-one","Acta Crystallographica Section E","2001","57","3","o234","o235","10.1107/S1600536801002574","","","1.5418","CuKα","","0.0548","0.0499","","","","0.1512","","","","","","1.076","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00","" "2200128","9.3854","0.0008","11.0958","0.0009","12.7495","0.0011","93.018","0.005","101.092","0.005","97.548","0.004","1287.47","0.19","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H36 Cl20 N4 Si -","- C30 H36 Cl20 N4 Si -","- C30 H36 Cl20 N4 Si -","1","0.5","CF6043","Stumpf, Thorsten; Bolte, Michael","Dihydridotetrakis(4-picoline-N)silicon dichloride chloroform hexasolvate","Acta Crystallographica Section E","2001","57","3","o209","o211","10.1107/S1600536801002239","","","0.71073","MoKα","","0.1005","0.0687","","","","0.1811","","","","","","1.194","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00","" "2200129","9.506","0.001","11.337","0.002","12.96","0.002","92.28","0.01","104.06","0.01","98.2","0.01","1337","0.4","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C30 H36 Br2 Cl18 N4 Si -","- C30 H36 Br2 Cl18 N4 Si -","- C30 H36 Br2 Cl18 N4 Si -","1","0.5","CF6044","Bolte, Michael; Faber, Alexander","Dihydridotetrakis(4-picoline-N)silicon dibromide chloroform hexasolvate","Acta Crystallographica Section E","2001","57","3","o207","o208","10.1107/S1600536801002227","","","0.71073","MoKα","","0.0654","0.0535","","","","0.1477","","","","","","1.031","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00","" "2200130","10.0849","0.0009","10.6081","0.0007","22.917","0.003","90","","90","","90","","2451.7","0.4","150","2","150","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C27 H26 Cl2 N P Pt -","- C27 H26 Cl2 N P Pt -","- C108 H104 Cl8 N4 P4 Pt4 -","4","1","CF6045","Ellis, Dianne D.; Spek, Anthony L.","Dichloro[2-(2-Diphenylphosphino)-N-(1-phenylethyl)benzylamine-C^{α^},P]platinum","Acta Crystallographica Section E","2001","57","3","m106","m108","10.1107/S1600536801002586","","","0.71073","MoKα","","0.0385","0.0309","","","","0.0646","","","","","","1.055","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00","" "2200131","14.3872","0.0018","8.2696","0.001","16.1442","0.0015","90","","108.327","0.007","90","","1823.4","0.4","296","1","296","1","","","","","","","","3","P 1 21/n 1","-P 2yn","14","2,2'-(Cinnamylisoindolin-1,3-diylidene)bispropanedinitrile","2,2'-{2-[(E)-3-phenylprop-2-enyl]-2,3-dihydro-1H-isoindol-1,3-diylidene}- dimalononitrile","","- C23 H13 N5 -","- C23 H13 N5 -","- C92 H52 N20 -","4","1","CF6047","Crean, Colm; Gallagher, John F.; Pratt, Albert C.","2,2'-{2-[(E)-3-Phenylprop-2-enyl]-2,3-dihydro-1H-isoindol-1,3-diylidene}dimalononitrile, a π-deficient system for π···π (1:1) stacking investigations","Acta Crystallographica Section E","2001","57","3","o236","o238","10.1107/S1600536801002598","","","0.71073","MoKα","","0.059","0.042","","","","0.112","","","","","","1.059","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00","" "2200132","7.4634","0.0011","13.747","0.002","17.352","0.003","90","","94.862","0.012","90","","1773.9","0.5","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","Guggulsterone E","4,17(20)-(cis)-pregnadiene-3,16-dione","","- C21 H28 O2 -","- C21 H28 O2 -","- C84 H112 O8 -","4","2","CF6049","Sarkhel, Sanjay; Yadava, Umesh; Prakash, Prem; Jain, Girish K.; Singh, Satywan; Maulik, Prakash R.","Guggulsterone E, a lipid-lowering agent from Commiphora mukul","Acta Crystallographica Section E","2001","57","3","o285","o286","10.1107/S1600536801003142","","","0.71073","MoKα","","0.1106","0.0633","","","","0.2367","","","","","","0.921","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00","" "2200133","20.9568","0.0012","10.6129","0.0006","14.7853","0.0009","90","","134.586","0.003","90","","2342","0.3","200","2","200","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","3-Hydroxy-1-(2-hydroxy-3,4-dimethoxyphenyl)-2-methylpropanone","","- C12 H16 O5 -","- C12 H16 O5 -","- C96 H128 O40 -","8","1","CF6050","Azim, Abul; Errington, William; Parmar, Virinder S.","3-Hydroxy-1-(2-hydroxy-3,4-dimethoxyphenyl)-2-methylpropanone","Acta Crystallographica Section E","2001","57","3","o266","o268","10.1107/S1600536801003518","","","0.71073","MoKα","","0.0492","0.0373","","","","0.1096","","","","","","1.064","","","","has coordinates","176774","2020-10-21","18:00:00","" "2200134","8.3334","0.0009","8.08","0.002","27.274","0.006","90","","93.57","0.01","90","","1832.9","0.6","294","1","294","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C10 H20 I3 N2 S2 -","- C10 H20 I3 N2 S2 -","- C40 H80 I12 N8 S8 -","4","1","CF6051","Hambley, Trevor W.; Jackson, Timothy W.; Kojima, Masaharu; Knott, Robert. B.; Lambrecht, Richard M.; Turner, Peter","6,6,9,9-Tetramethyl-1,2,5,6,9,9a-hexahydroimidazo[2,1-d][1,2,5]dithiazepin-1-ium triiodide","Acta Crystallographica Section E","2001","57","4","o315","o317","10.1107/S160053680100407X","","","0.7107","MoKα","","0.0921","0.0407","","0.0377","","0.0332","","","1.6","","","1.857","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00","" "2200135","14.4908","0.0005","23.1755","0.0005","9.6971","0.0005","90","","91.899","0.002","90","","3254.8","0.2","90","0.1","90","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","[(DEAS-bpy)Re(CO)3CL]","{4,4'-Bis[p-(diethylamino)-alfa-styryl]-2,2' -bipyridine}chlorotricarbonylrhenium(I)","","- C37 H38 Cl N4 O3 Re -","- C37 H38 Cl N4 O3 Re -","- C148 H152 Cl4 N16 O12 Re4 -","4","1","CF6052","Gerlits, O. O.; Coppens, P.","{4,4'-Bis[p-(diethylamino)-α-styryl]-2,2'-bipyridine}tricarbonylchlororhenium(I)","Acta Crystallographica Section E","2001","57","4","m164","m166","10.1107/S1600536801004573","","","0.71073","MoKα","","0.0421","0.0277","","","","0.0654","","","","","","0.972","","","","has coordinates","176774","2020-10-21","18:00:00","" "2200136","10.9982","0.0017","14.85","0.002","6.7625","0.0006","96.864","0.009","93.694","0.009","81.945","0.012","1084.5","0.2","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","4-Cyanophenyl 4-n-decanyloxybenzoate","","- C24 H29 N O3 -","- C24 H29 N O3 -","- C48 H58 N2 O6 -","2","1","CF6054","Kubo, Kanji; Mori, Akira","4-Cyanophenyl 4-n-decanyloxybenzoate","Acta Crystallographica Section E","2001","57","4","o318","o320","10.1107/S1600536801004081","","","0.71073","MoKα","","0.2706","0.0711","","","","0.3029","","","","","","0.922","","","","has coordinates","201973","2020-10-21","18:00:00","" "2200137","13.6308","0.0008","15.1336","0.0009","16.154","0.001","90","0.004","151.086","0.003","90","0.01","1611.2","0.2","298","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H17 N O4 S -","- C18 H17 N O4 S -","- C72 H68 N4 O16 S4 -","4","1","CF6057","Zerzouf, A.; El Meslouhi, H.; Salem, M.; Essassi, E. M.; Pierrot, M.","Methyl (3-hydroxy-4-oxo-2-phenyl-1,5-benzothiazepin-5-yl)acetate","Acta Crystallographica Section E","2001","57","4","o362","o363","10.1107/S1600536801004846","","","0.71073","MoKα","","0.065","0.045","","0.05","","0.048","","","1.51","","","1.364","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00","" "2200138","6.8331","0.001","16.4997","0.0014","17.329","0.0013","90","","90.216","0.008","90","","1953.7","0.4","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","Bis(4-nitrophenylsulfonyl)-1,3-phenylenediamine","N,N'-m-Phenylenebis(4-nitrobenzenesulfonamide)","","- C18 H14 N4 O8 S2 -","- C18 H14 N4 O8 S2 -","- C72 H56 N16 O32 S8 -","4","1","CI6000","Heigel, Erik; Bock, Hans","N,N'-m-Phenylenebis(4-nitrobenzenesulfonamide)","Acta Crystallographica Section E","2001","57","3","o239","o241","10.1107/S1600536801001775","","","0.71073","MoKα","","0.048","0.037","","","","0.1","","","","","","1.05","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00","" "2200139","8.851","0.002","11.435","0.004","5.831","0.001","94.42","0.02","92.79","0.02","107.65","0.02","559.1","0.3","173","","173","","","","","","","","","4","P -1","-P 1","2","","","","- C14 H10 N2 O2 -","- C14 H10 N2 O2 -","- C28 H20 N4 O4 -","2","1","CI6001","Duthie, Andrew; Scammells, Peter; Katsifis, Andrew; Tiekink, Edward R. T.","(1,3-Benzo[d]dioxol-5-yl)(2-pyridyl)methyl cyanide","Acta Crystallographica Section E","2001","57","2","o104","o105","10.1107/S1600536801000198","","","0.7107","MoKα","","0.061","0.039","","","","0.139","","","","","","1.05","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00","" "2200140","9.4058","0.0005","7.7654","0.0004","10.2125","0.0006","90","","94.349","0.003","90","","743.77","0.07","291","1","291","1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C18 H21 F O2 -","- C18 H21 F O2 -","- C36 H42 F2 O4 -","2","1","CI6002","Uerdingen, Marc; Schürmann, Markus; Preut, Hans; Krause, Norbert","3,17-Dioxo-11-fluoroandrosta-4,6-diene","Acta Crystallographica Section E","2001","57","2","o106","o107","10.1107/S1600536801000484","","","0.71073","MoKα","","0.094","0.042","","","","0.096","","","","","","0.99","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00","" "2200141","19.457","0.002","6.442","0.001","24.619","0.001","90","","110.95","0.08","90","","2881.8","1.6","293","2","293","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","4-(p-toluidinomethylene)-2-phenyl-2-oxazolin-5-one","","- C17 H14 N2 O2 -","- C17 H14 N2 O2 -","- C136 H112 N16 O16 -","8","2","CI6003","Vasuki, G.; Parthasarathi, V.; Ramamurthi, K.; Singh, R. M; Srivastava, Ambika","2-Phenyl-4-(p-toluidinomethylene)-5-oxazolone","Acta Crystallographica Section E","2001","57","2","o120","o121","10.1107/S160053680100109X","","","1.5418","CuKα","","0.05","0.044","","","","0.125","","","","","","1.06","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00","" "2200142","17.7903","0.0015","5.5559","0.0005","18.032","0.0017","90","","94.815","0.008","90","","1776","0.3","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","1,5,13-trimethyl-8,10-dioxa-9-phenyl tetracyclo[7.7.1.0^2^7^0^11^16^] heptadeca-2,4,6,11,13,15-hexaene","","- C24 H22 O2 -","- C24 H22 O2 -","- C96 H88 O8 -","4","1","CI6004","Vijayalakshmi. L; Parthasarathi. V; Narasinh Dodia; Anamik Shah","1,5,13-Trimethyl-9-phenyl-8,10-dioxatetracyclo[7.7.1.0^2,7^.0^11,16^]heptadeca-2,4,6,11,13,15-hexaene","Acta Crystallographica Section E","2001","57","3","o212","o213","10.1107/S1600536801001970","","","0.71073","MoKα","","0.055","0.05","","","","0.134","","","","","","1.13","","","","has coordinates","176774","2020-10-21","18:00:00","" "2200143","7.8683","0.0012","7.913","0.002","26.0869","0.0011","90","","90","","90","","1624.2","0.5","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","2-(3-cyano-6-methylcoumarin-4-yl)-1-(4-methoxyphenyl)ethene","3-cyano-4-[2-(4-methoxyphenyl)ethenyl]-6-methyl-2H-1-benzopyran-2-one","","- C20 H15 N O3 -","- C20 H15 N O3 -","- C80 H60 N4 O12 -","4","1","CI6005","Vijayalakshmi, L; Parthasarathi, V; Varu, Bharat; Shah, Anamik","3-Cyano-4-[2-(4-methoxyphenyl)ethenyl]-6-methyl-2H-1-benzopyran-2-one","Acta Crystallographica Section E","2001","57","3","o245","o246","10.1107/S1600536801002653","","","1.54175","CuKα","","0.057","0.051","","","","0.144","","","","","","1.17","","","","has coordinates","201973","2020-10-21","18:00:00","" "2200144","10.473","0.002","24.303","0.005","3.8594","0.0008","90","","90","","90","","982.3","0.3","150","2","150","2","","","","","","","","5","P n a 21","P 2c -2n","33","","1-(3-Chloro-4-methylphenyl)pyrroline-2,5-dione","","- C11 H8 Cl N O2 -","- C11 H8 Cl N O2 -","- C44 H32 Cl4 N4 O8 -","4","1","CI6006","Lynch, Daniel E.; McClenaghan, Ian","1-(3-Chloro-4-methylphenyl)-3-pyrroline-2,5-dione","Acta Crystallographica Section E","2001","57","2","o147","o148","10.1107/S1600536801001404","","","0.71073","MoKα","","0.078","0.052","","","","0.131","","","","","","1","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00","" "2200145","10.8071","0.0006","13.6951","0.0008","16.4285","0.0011","90","","102.78","0.004","90","","2371.3","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(N-benzophenoneimine) enea-carbonyl dirhenium(0)","","- C22 H11 N O9 Re2 -","- C22 H11 N O9 Re2 -","- C88 H44 N4 O36 Re8 -","4","1","CI6007","Cabeza, Javier A.; del Río, Ignacio; Zuñiga-Villarreal, Noé; García-Granda, Santiago","(Benzophenone imine-N)nonacarbonyldirhenium(0)(Re—Re)","Acta Crystallographica Section E","2001","57","3","m130","m131","10.1107/S1600536801003658","","","0.71073","MoKα","","0.117","0.034","","","","0.094","","","","","","0.995","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00","" "2200146","13.281","0.003","11.161","0.002","17.756","0.003","90","","107.49","0.01","90","","2510.3","0.9","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(E)-1-Benzyl-2-(p-methoxystyryl)-3-(p-tolyl)-1,2,3,4-tetrahydroquinazolin-4-one","","- C31 H28 N2 O2 -","- C31 H28 N2 O2 -","- C124 H112 N8 O8 -","4","1","CI6008","Mukherjee, Monika; Maiti, Susim; Chaudhuri, Gopeswar; Helliwell, Madeleine; Kundu, Nitya G.","(E)-1-Benzyl-2-(p-methoxystyryl)-3-(p-tolyl)-1,2,3,4-tetrahydroquinazolin-4-one","Acta Crystallographica Section E","2001","57","3","o247","o249","10.1107/S1600536801002811","","","1.5418","CuKα","","0.078","0.047","","","","0.182","","","","","","1.04","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00","" "2200147","14.072","0.002","17.617","0.002","14.84","0.002","90","","95.425","0.009","90","","3662.5","0.8","203","2","","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","Bis(η^4^-cycloocta-1,5-diene)rhodium(I)trifluoromethanesulfonate","","- C17 H24 F3 O3 Rh S -","- C17 H24 F3 O3 Rh S -","- C136 H192 F24 O24 Rh8 S8 -","8","1","CI6009","Dahlenburg, Lutz; Osthoff, Nils; Heinemann, Frank","Bis(η^4^-cycloocta-1,5-diene)rhodium(I) trifluoromethanesulfonate","Acta Crystallographica Section E","2001","57","3","m117","m118","10.1107/S1600536801003208","","","0.71073","MoKα","","","0.058","","","","0.154","","","","","","1.02","","","","has coordinates,has Fobs","192333","2020-10-21","18:00:00","" "2200148","8.6209","0.0002","13.9266","0.0004","16.4518","0.0006","90","","90","","90","","1975.2","0.1","200","1","200","1","","","","","","","","4","P b c a","-P 2ac 2ab","61","","6,9-Methano-4-methyl-3a,4,5a,6,9,10-hexahydro-5-oxa-1H,3H-furano[3,4-c]- isoindol-3-one","","- C11 H13 N O3 -","- C11 H13 N O3 -","- C88 H104 N8 O24 -","8","1","CI6010","Tam, William; Tranmer, Geoffrey K.; Lough, Alan J.","6,9-Methano-4-methyl-3a,4,5a,6,9,10-hexahydro-5-oxa-1H,3H-furano[3,4-c]isoindol-3-one","Acta Crystallographica Section E","2001","57","3","o269","o270","10.1107/S1600536801003270","","","0.71073","MoKα","","0.06","0.043","","","","0.112","","","","","","1.04","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00","" "2200149","12.379","0.003","9.389","0.002","12.995","0.003","90","","116.6","0.03","90","","1350.5","0.6","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","2-Chloro-3-(4-methylpiperizino)-1,4-naphthoquinone","","- C15 H15 Cl N2 O2 -","- C15 H15 Cl N2 O2 -","- C60 H60 Cl4 N8 O8 -","4","1","CI6012","Lynch, Daniel E.; McClenaghan, Ian","2-Chloro-3-(4-methylpiperazino)-1,4-naphthoquinone","Acta Crystallographica Section E","2001","57","3","o287","o288","10.1107/S1600536801003634","","","0.71073","MoKα","","0.062","0.042","","","","0.116","","","","","","1.03","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00","" "2200150","10.074","0.001","18.139","0.002","11.3858","0.0009","90","","105.426","0.008","90","","2005.6","0.3","293","","293","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","1-(dicyclohexylthiophosphinoyl)-N-phenylthioformamide","","","- C19 H28 N P S2 -","- C19 H28 N P S2 -","- C76 H112 N4 P4 S8 -","4","1","CI6013","Horn, E.; Kurosawa, K.; Tiekink, E. R. T.","Monoclinic form of 1-(dicyclohexylthiophosphinoyl)-N-phenylthioformamide","Acta Crystallographica Section E","2001","57","4","o321","o322","10.1107/S160053680100410X","","","0.7107","MoKα","","","0.04","","","","0.028","","","","","","1.688","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00","" "2200151","13.495","0.002","17.324","0.003","13.471","0.002","90","","93.01","0.01","90","","3145","0.9","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","Bis[di-n-butylbis(thiophene-2-carboxylato-O,O')tin(VI) oxide]","octa-n-butyl-1κ^2^C,2κ^2^C,3κ^2^C,4κ^2^C-di-μ~3~-oxo- 1:2:3κ^3^O;2:3:4:κ^3^O-tetrakis(thiophene-2-carboxylate)- 1κO;1:2κ^2^O:O';3:4κ^2^O:O';4κO-tetratin(VI)","","- C52 H84 O10 S4 Sn4 -","- C52 H84 O10 S4 Sn4 -","- C104 H168 O20 S8 Sn8 -","2","1","CI6014","Yahyi, Abderrahmane; Et-touhami, Abdelkader; Zidane, Ismail; Benchat, Nour-eddine; El-Bali, Brahim; Bolte, Michael","Redetermination of bis[di-n-butylbis(thiophene-2-carboxylato-O,O')tin(VI) oxide] at low temperature","Acta Crystallographica Section E","2001","57","4","m148","m150","10.1107/S1600536801004214","","","0.71073","MoKα","","0.027","0.022","","","","0.049","","","","","","0.96","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00","" "2200152","13.4255","0.0003","21.1335","0.0006","28.6552","0.0008","90","","90","","90","","8130.3","0.4","200","2","200","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","(Benzylamine-N)(η^5^-cyclopentadienyl)bis(triphenylphosphine-P)ruthenium(II) tetrafluoroborate","","- C48 H44 B F4 N P2 Ru -","- C48 H44 B F4 N P2 Ru -","- C384 H352 B8 F32 N8 P16 Ru8 -","8","1","CI6016","Cabeza, Javier A.; del Río, Ignacio; Navarro, M. Elena; García-Granda, Santiago","(Benzylamine-N)(η^5^-cyclopentadienyl)bis(triphenylphosphine-P)ruthenium(II) tetrafluoroborate","Acta Crystallographica Section E","2001","57","4","m162","m163","10.1107/S1600536801004469","","","1.54179","CuKα","","0.11","0.047","","","","0.133","","","","","","0.9","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00","" "2200153","34.115","0.006","10.4377","0.0017","7.484","0.003","90","","90","","90","","2664.9","1.2","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C15 H14 N2 O S -","- C15 H14 N2 O S -","- C120 H112 N16 O8 S8 -","8","1","CI6018","Scammells, Peter J.; Tranberg, C. Elisabet; Tiekink, Edward R. T.","6,7-Dimethyl-5-phenyl-1H-thieno[2,3-e][1,4]diazepin-2(3H)-one","Acta Crystallographica Section E","2001","57","4","o344","o345","10.1107/S1600536801004585","","","0.7107","MoKα","","0.08","0.045","","","","0.152","","","","","","1.024","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00","" "2200154","12.809","0.003","8.608","0.002","19.482","0.004","90","","95.81","0.02","90","","2137","0.8","293","2","293","2","","","","","","","","6","P 1 n 1","P -2yac","7","bis-clemizolchlorocopper(II)chloride","Dichloro[1-(p-chlorophenylmethyl)-2-(1-pyrrolidinylmethyl)benzimidazole- N,N'']copper(II) Ethanol Solvate","","- C40 H46 Cl4 Cu N6 O -","- C40 H46 Cl4 Cu N6 O -","- C80 H92 Cl8 Cu2 N12 O2 -","2","1","CV6000","Braitenbach, Kristin; Parvez, Masood","Chlorobis(clemizole)copper(II) chloride ethanol solvate","Acta Crystallographica Section E","2001","57","2","m67","m69","10.1107/S1600536801001039","","","1.54178","CuKα","","0.053","0.051","","","","0.142","","","","","","1.03","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00","" "2200155","11.2481","0.0004","7.1112","0.0003","16.1263","0.0007","90","","99.043","0.005","90","","1273.87","0.09","294","2","294","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","1,4-bis(dinitromethyl)cubane","1,4-bis(dinitromethyl)cubane","","- C10 H8 N4 O8 -","- C10 H8 N4 O8 -","- C40 H32 N16 O32 -","4","1","CV6001","Deschamps, Jeffrey R.; Moriarty, R. M.; Gilardi, Richard D.","1,4-Bis(dinitromethyl)cubane","Acta Crystallographica Section E","2001","57","2","o149","o150","10.1107/S1600536801001374","","","1.54178","CuKα","","0.054","0.05","","","","0.139","","","","","","1.026","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00","" "2200156","7.494","0.001","7.974","0.002","10.303","0.002","100.58","0.03","98.38","0.03","107.98","0.03","562","0.2","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","1-(5-chloropyridin-2-yl)-isoindole-1,3-dione","","- C13 H7 Cl N2 O2 -","- C13 H7 Cl N2 O2 -","- C26 H14 Cl2 N4 O4 -","2","1","CV6002","Holband, Jolanta; Jurkin, Magdalena; Wójcik, Grażyna; Holband, Tomasz","2-(5-Chloropyridin-2-yl)-2,3-dihydro-1H-isoindole-1,3-dione","Acta Crystallographica Section E","2001","57","3","o250","o251","10.1107/S1600536801003026","","","0.71073","MoKα","","0.0414","0.0403","","","","0.1195","","","","","","1.046","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00","" "2200157","11.1046","0.0012","11.4205","0.0011","12.7004","0.0009","72.632","0.007","78.905","0.007","62.198","0.011","1357.1","0.3","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C32 H28 Si2 -","- C32 H28 Si2 -","- C64 H56 Si4 -","2","1","CV6003","Lee, Suk Joong; Han, Byung Hee; Sung, Chang-Keun; Kim, Jin-Gyu; Suh, Il-Hwan","(E)-1-Diphenylsilyl-2-triphenylsilylethene","Acta Crystallographica Section E","2001","57","3","o271","o272","10.1107/S1600536801003439","","","0.71069","MoKα","","0.1363","0.0627","","","","0.1461","","","","","","1.023","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00","" "2200158","5.392","0.0018","6.858","0.003","8.96","0.006","71.88","0.04","74.04","0.03","85.41","0.04","302.8","0.3","193","2","193","2","","","","","","","","4","P -1","-P 1","2","","","","- C10 H16 O4 S2 -","- C10 H16 O4 S2 -","- C10 H16 O4 S2 -","1","0.5","CV6004","Koskimies, Jorma; Näsäkkälä, Matti; Mutikainen, Ilpo","1,8-Dioxa-4,11-dithiacyclotetradecane-2,9-dione","Acta Crystallographica Section E","2001","57","3","o261","o263","10.1107/S1600536801003038","","","0.71073","MoKα","","0.0501","0.0484","","","","0.1294","","","","","","1.041","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00","" "2200159","9.0561","0.0004","11.533","0.0005","28.0118","0.0013","90","","90","","90","","2925.7","0.2","213","2","213","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","(4SR,6SR)-6-(2-Phenylethyl)-4-phenyl-1,4,3-oxathiazin-2(6H)-one","","- C17 H17 N O2 S -","- C17 H17 N O2 S -","- C136 H136 N8 O16 S8 -","8","1","CV6005","Schlummer, Björn; Massa, Werner; Bach, Thorsten","A new heterocylic ring system in (4SR,6SR)-6-(2-phenylethyl)-4-phenyl-1,4,3-oxathiazin-2(6H)-one","Acta Crystallographica Section E","2001","57","3","o252","o253","10.1107/S160053680100304X","","","1.54178","CuKα","","0.0518","0.0385","","","","0.1055","","","","","","1.047","","","","has coordinates","176774","2020-10-21","18:00:00","" "2200160","10.2648","0.0005","23.4667","0.0011","13.204","0.0006","90","","103.847","0.001","90","","3088.2","0.3","293","2","293","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","2,9-dimethyl-4,7-diphenyl-1,10-phenanthroline tricarbonyl acetonitrile rhenium hexafluorophosphate","","- C31 H23 F6 N3 O3 P Re -","- C31 H23 F6 N3 O3 P Re -","- C124 H92 F24 N12 O12 P4 Re4 -","4","1","CV6006","Sun, Shih-Sheng; Zavalij, Peter Y.; Lees, Alistair J.","Acetonitriletricarbonyl(2,9-dimethyl-4,7-diphenyl-1,10-phenanthroline)rhenium(I) hexafluorophosphate","Acta Crystallographica Section E","2001","57","3","m119","m121","10.1107/S1600536801003440","","","0.71073","MoKα","","0.0745","0.0419","","","","0.0998","","","","","","0.933","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00","" "2200161","5.5475","0.0008","37.69","0.005","7.4742","0.0006","90","","96.462","0.009","90","","1552.8","0.3","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","Eupatorin","5,3'-dihydroxy-6,7,4'-trimethoxyflavone","","- C18 H16 O7 -","- C18 H16 O7 -","- C72 H64 O28 -","4","1","CV6007","Parvez, Masood; Riaz, Muhammad; Malik, Abdul","Eupatorin","Acta Crystallographica Section E","2001","57","3","o289","o291","10.1107/S1600536801003609","","","1.54178","CuKα","","0.045","0.038","","","","0.121","","","","","","1.09","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00","" "2200162","9.2706","0.0013","10.4565","0.0008","15.094","0.003","90","","90","","90","","1463.2","0.4","300","","300","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","dihydroparthenolide diol","2,10-dihydroxy-1,6,10-trimethyl-4,14-dioxztricyclo[9.2.1.0^3,7^]tetradecan-5-one","","- C15 H24 O5 -","- C15 H24 O5 -","- C60 H96 O20 -","4","1","CV6008","Rugutt, Joseph K.; Fronczek, Frank R.; Franzblau, Scott G.; Warner, Isiah M.","Dihydroparthenolide diol, a novel sesquiterpene lactone","Acta Crystallographica Section E","2001","57","4","o323","o325","10.1107/S1600536801004111","","","1.54184","CuKα","","0.049","0.044","","","","0.128","","","","","","1.068","","","","has coordinates,has Fobs","211399","2020-10-21","18:00:00","" "2200163","19.028","0.003","19.166","0.003","9.4466","0.0005","90","","90","","90","","3445.1","0.8","296","2","296","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","Ethyl 4-(2,3,5,6-tetrahydro-3,3-dimethyl-5,6-dioxo-1,2-cycloheptapyrazol-2-yl)- benzoate","","- C19 H18 N2 O4 -","- C19 H18 N2 O4 -","- C152 H144 N16 O32 -","8","1","CV6009","Kubo, Kanji; Mori, Akira","Ethyl 4-(2,3,5,6-tetrahydro-3,3-dimethyl-5,6-dioxo-1,2-cycloheptapyrazol-2-yl)benzoate","Acta Crystallographica Section E","2001","57","4","o328","o329","10.1107/S1600536801004445","","","0.71073","MoKα","","0.285","0.0544","","","","0.1581","","","","","","0.89","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00","" "2200164","8.1172","0.0011","22.523","0.004","12.5352","0.0013","90","","105.362","0.012","90","","2209.9","0.6","200","2","200","2","","","","","","","","3","P 1 21 1","P 2yb","4","bis Ketal","(-)-(4R,5R,4'''R,5'''R)-Dispiro[1,3-(4,5-dimethyl)- dioxalane-2,3'-[1',5'-(1'',8''-naphthalene)]- bicyclo[3.3.0]octane-7',2'''-[1,3]- (4''',5'''-dimethyl)-dioxalane]","","- C26 H30 O4 -","- C26 H30 O4 -","- C104 H120 O16 -","4","2","CV6010","Parvez, Masood; Simion, Dan V.; Sorensen, Ted S.","A chiral C~2~ axially symmetric naphthalene derivative of a bicyclooctane diketal","Acta Crystallographica Section E","2001","57","4","o346","o348","10.1107/S1600536801004457","","","0.71069","MoKα","","0.151","0.063","","","","0.239","","","","","","1.07","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00","" "2200165","9.799","0.003","19.331","0.005","9.054","0.003","90","","90","","90","","1715","0.9","200","2","200","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","bis Dioxane","(-)-(4R,5R,4''R,5''R)-4,5,4'',5''-Tetramethyldispiro[1,3-dioxalane- 2,1'(2'H)-acenaphthylene-2',2''-1,3-dioxalane]","","- C20 H22 O4 -","- C20 H22 O4 -","- C80 H88 O16 -","4","1","CV6011","Parvez, Masood; Simion, Dan V.; Sorensen, Ted S.","A novel chiral C~2~ axially symmetric acenaphthoquinone diketal","Acta Crystallographica Section E","2001","57","4","o366","o367","10.1107/S1600536801005049","","","0.71069","MoKα","","0.154","0.04","","","","0.167","","","","","","1","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00","" "2200166","9.338","0.0003","27.395","0.0008","7.457","0.0008","90","","90.568","0.001","90","","1907.5","0.2","290","1","290","1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","n-pentylammonium dihydrogenarsenate","","- C5 H16 As N O4 -","- C5 H16 As N O4 -","- C40 H128 As8 N8 O32 -","8","2","CV6012","Fábry, Jan; Krupková, Radmila; Vaněk, Přemysl; Císařová, Ivana","Ferroelastic n-pentylammonium dihydrogenarsenate","Acta Crystallographica Section E","2001","57","4","o349","o352","10.1107/S160053680100472X","","","0.71073","MoKα","","0.0703","0.0355","","0.0454","","0.0454","","","2.02","1.63","1.63","2.02","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00","" "2200167","7.6279","0.0009","8.4019","0.001","8.6291","0.0004","97.171","0.006","99.673","0.006","95.728","0.01","536.76","0.1","296","2","296","2","","","","","","","","5","P -1","-P 1","2","co-crystal with 1,4-bis[(4-pyridyl)ethynyl]benzene and chloranilic acid","1,4-bis[(4-pyridinium)ethynyl]benzene chloranilate","","- C26 H14 Cl2 N2 O4 -","- C26 H14 Cl2 N2 O4 -","- C26 H14 Cl2 N2 O4 -","1","0.5","CV6013","Akhtaruzzaman, Md.; Tomura, Masaaki; Yamashita, Yoshiro","One-dimensional hydrogen-bonded molecular tapes in 1,4-bis[(4-pyridinio)ethynyl]benzene chloranilate","Acta Crystallographica Section E","2001","57","4","o353","o355","10.1107/S1600536801004731","","","1.54178","CuKα","","0.1227","0.0534","","","","0.161","","","","","","0.994","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00","" "2200168","16.827","0.002","14.1071","0.0016","16.76","0.004","90","","93.95","0.016","90","","3969","1.2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H16 N4 O3 S4 -","- C16 H16 N4 O3 S4 -","- C128 H128 N32 O24 S32 -","8","2","CV6014","Cho, Nam Sook; Hong, Soon Il; Choo, Geum-Hong; Kim, Jin-Gyu; Suh, Il-Hwan","1,5-[5,5'-(1,3-Phenylenedimethylenedithio)bis(2,3-dihydro-2-oxo-1,3,4-thiadiazol-3-yl)]-3-oxapentane","Acta Crystallographica Section E","2001","57","4","o368","o369","10.1107/S1600536801005116","","","0.71069","MoKα","","0.1292","0.0607","","","","0.1423","","","","","","1.015","","","","has coordinates","201973","2020-10-21","18:00:00","" "2200169","14.7301","0.0002","12.0254","0.0002","23.796","0.0001","90","","90","","90","","4215.11","0.09","298","2","298","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Bis(μ-N-butyl-N-ethyldithiocarbamato-S:S')bis[(N-butyl-N- ethyldithiocarbamato)zinc(II)]","","- C28 H56 N4 S8 Zn2 -","- C28 H56 N4 S8 Zn2 -","- C112 H224 N16 S32 Zn8 -","4","0.5","NA6028","Baba, Ibrahim; Farina, Yang; Kassim, Karimah; Othman, A. Hamid; Razak, Ibrahim Abdul; Fun, Hoong-Kun; Ng, Seik Weng","Bis(μ-N-butyl-N-ethyldithiocarbamato-S:S')bis[(N-butyl-N-ethyldithiocarbamato)zinc(II)]","Acta Crystallographica Section E","2001","57","2","m55","m56","10.1107/S1600536800020808","","","0.71073","MoKα","","0.083","0.047","","","","0.144","","","","","","0.959","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00","" "2200170","30.285","0.008","5.3022","0.0013","22.317","0.006","90","","102.263","0.004","90","","3501.8","1.6","150","2","150","2","","","","","","","","4","C 1 2 1","C 2y","5","","L-Phenylalanine nitrate (4/1)","","- C9 H11.25 N1.25 O2.75 -","- C9 H11.25 N1.25 O2.75 -","- C144 H180 N20 O44 -","16","4","NA6033","Görbitz, Carl Henrik","L-Phenylalanine nitrate (4/1)","Acta Crystallographica Section E","2001","57","2","o192","o194","10.1107/S1600536801000575","","","0.71073","MoKα","","0.134","0.113","","","","0.269","","","","","","1.629","","","","has coordinates","176774","2020-10-21","18:00:00","" "2200171","4.1043","0.0007","7.453","0.0013","9.2875","0.0016","87.777","0.003","78.619","0.003","87.281","0.003","278.07","0.08","203","2","203","2","","","","","","","","5","P -1","-P 1","2","CrBr2.2THF","dibromobis(tetrahydrofuran-O)chromium(II)","","- C8 H16 Br2 Cr O2 -","- C8 H16 Br2 Cr O2 -","- C8 H16 Br2 Cr O2 -","1","0.5","NA6034","Twamley, Brendan; Zehnder, Ralph; Shapiro, Pamela J.","Solvated CrBr~2~(thf)~2~, a linear chain in the solid state","Acta Crystallographica Section E","2001","57","2","m80","m81","10.1107/S1600536801001660","","","0.71073","MoKα","","0.031","0.027","","","","0.071","","","","","","1.08","","","","has coordinates","176774","2020-10-21","18:00:00","" "2200172","8.7856","0.0005","8.2058","0.0005","22.99","0.002","90","","95.513","0.006","90","","1649.7","0.2","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1-(2-Pyridyl)-8H-pyrrolo[2,1-c]-s-triazolo[4,3-a][1,4]benzodiazepinium chloride","","- C18 H14 Cl N5 -","- C18 H14 Cl N5 -","- C72 H56 Cl4 N20 -","4","1","NA6035","Kubicki, Maciej; Codding, Penelope W.","1-(2-Pyridyl)-8H-pyrrolo[2,1-c]-s-triazolo[4,3-a][1,4]benzodiazepinium chloride","Acta Crystallographica Section E","2001","57","2","o122","o124","10.1107/S1600536801000952","","","1.54178","CuKα","","0.048","0.048","","","","0.113","","","","","","1.257","","","","has coordinates","201973","2020-10-21","18:00:00","" "2200173","8.6673","0.0002","14.6092","0.0003","14.4783","0.0005","90","","107.287","0.001","90","","1750.46","0.08","150","1","150","1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","4-(4-bromophenyl)-3,7,7-trimethyl-4,7,8,9-tetrahydro-2H-pyrazolo[3,4-b] quinolin-5(6H)-one","","- C19 H20 Br N3 O -","- C19 H20 Br N3 O -","- C76 H80 Br4 N12 O4 -","4","1","NA6036","Cannon, Debbie; Quesada, Antonio; Quiroga, Jairo; Mejía, Diana; Insuasty, Braulio; Abonia, Rodrigo; Cobo, Justo; Nogueras, Manuel; Sánchez, Adolfo; Low, John Nicolson","4-(4-Bromophenyl)-3,7,7-trimethyl-4,7,8,9-tetrahydro-2H-pyrazolo[3,4-b]quinolin-5(6H)-one","Acta Crystallographica Section E","2001","57","2","o151","o153","10.1107/S1600536801001453","","","0.71073","MoKα","","0.047","0.035","","","","0.096","","","","","","0.98","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00","" "2200174","8.582","0.0003","14.7031","0.0005","14.5369","0.0008","90","","106.061","0.0015","90","","1762.7","0.13","150","1","150","1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","3,7,7-Trimethyl-4-(4-methoxyphenyl)-4,7,8,9-tetrahydro-2H-pyrazolo[3,4-b]- quinolin-5(6H)-one (4).","","- C20 H23 N3 O2 -","- C20 H23.06 N3 O2 -","- C80 H92.24 N12 O8 -","4","1","NA6037","Cannon, Debbie; Quesada, Antonio; Quiroga, Jairo; Mejía, Diana; Insuasty, Braulio; Abonia, Rodrigo; Cobo, Justo; Nogueras, Manuel; Sánchez, Adolfo; Low, John Nicolson","4-(4-Methoxyphenyl)-3,7,7-trimethyl-4,7,8,9-tetrahydro-2H-pyrazolo[3,4-b]quinolin-5(6H)-one","Acta Crystallographica Section E","2001","57","2","o154","o156","10.1107/S1600536801001465","","","0.71073","MoKα","","0.092","0.053","","","","0.141","","","","","","1.025","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00","" "2200175","10.087","0.0005","14.1978","0.0005","11.1928","0.0008","90","","96.034","0.0014","90","","1594.08","0.15","150","1","150","1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","3,7,7-Trimethyl-4-phenyl-4,7,8,9-tetrahydro-2H-pyrazolo[3,4-b]quinolin-5- (6H)-one","","- C19 H21 N3 O -","- C19 H21 N3 O -","- C76 H84 N12 O4 -","4","1","NA6038","Cannon, Debbie; Quesada, Antonio; Quiroga, Jairo; Mejía, Diana; Insuasty, Braulio; Abonia, Rodrigo; Cobo, Justo; Nogueras, Manuel; Sánchez, Adolfo; Low, John Nicolson","3,7,7-Trimethyl-4-phenyl-4,7,8,9-tetrahydro-2H-pyrazolo[3,4-b]quinolin-5-(6H)-one","Acta Crystallographica Section E","2001","57","2","o157","o159","10.1107/S1600536801001477","","","0.71073","MoKα","","0.132","0.056","","","","0.148","","","","","","0.941","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00","" "2200176","9.1222","0.0018","15.281","0.003","14.346","0.003","90","","106.13","0.03","90","","1921.1","0.7","150","1","150","1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","3,7,7-Trimethyl-4-(β-naphthyl)-4,7,8,9-tetrahydro-2H-pyrazolo[3,4-b]- quinolin-5(6H)-one","","- C23 H23 N3 O -","- C23 H23 N3 O -","- C92 H92 N12 O4 -","4","1","NA6039","Cannon, Debbie; Quesada, Antonio; Quiroga, Jairo; Mejía, Diana; Insuasty, Braulio; Abonia, Rodrigo; Cobo, Justo; Nogueras, Manuel; Sánchez, Adolfo; Low, John Nicolson","3,7,7-Trimethyl-4-(β-naphthyl)-4,7,8,9-tetrahydro-2H-pyrazolo[3,4-b]quinolin-5(6H)-one","Acta Crystallographica Section E","2001","57","2","o160","o162","10.1107/S1600536801001489","","","0.71073","MoKα","","0.086","0.051","","","","0.137","","","","","","1.029","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00","" "2200177","8.948","0.001","27.128","0.003","9.045","0.001","90","","94.3","0.01","90","","2189.4","0.4","173","2","173","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C23 H30 O6 -","- C23 H30 O6 -","- C92 H120 O24 -","4","1","NA6040","Bolte, Michael; Degen, Alexander; Rühl, Stephan","2,2'-[(3-Hydroxyphenyl)methylene]bis(3-hydroxy-5,5-dimethyl-2-cyclohexen-1-one) hydrate","Acta Crystallographica Section E","2001","57","2","o170","o171","10.1107/S1600536801001593","","","0.71073","MoKα","","0.0503","0.0405","","","","0.115","","","","","","1.006","","","","has coordinates","201973","2020-10-21","18:00:00","" "2200178","33.845","0.004","7.214","0.001","22.605","0.003","90","","128.82","0.01","90","","4300.1","1.1","173","2","173","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C24 H30 O5 -","- C24 H30 O5 -","- C192 H240 O40 -","8","1","NA6041","Bolte, Michael; Degen, Alexander; Rühl, Stephan","Redetermination of 3,3,6,6-tetramethyl-4a-hydroxy-9-(ortho-methoxyphenyl)-2,3,4,4a,5,6,7,8,9,9a-decahydro-1H-xanthene-1,8-dione at 173K","Acta Crystallographica Section E","2001","57","2","o172","o173","10.1107/S160053680100160X","","","0.71073","MoKα","","0.047","0.0407","","","","0.111","","","","","","1.039","","","","has coordinates","201973","2020-10-21","18:00:00","" "2200179","10.7112","0.0003","10.8297","0.0003","23.6321","0.0005","90","","90","","90","","2741.3","0.12","150","1","150","1","","","","","","","","3","P b c a","-P 2ac 2ab","61","","6-(1H-1,2,3-Benzotriazol-1-yl)-1,2,5,6-tetrahydro-4H-pyrrolo[3,2,1-ij]quinoline","","- C17 H16 N4 -","- C17 H16 N4 -","- C136 H128 N32 -","8","1","NA6042","Quesada, Antonio; Cannon, Debbie; Quiroga, Jairo; .; Insuasty, Braulio; Abonia, Rodrigo; Albornoz, Andrea; Cobo, Justo; Nogueras, Manuel; Sánchez, Adolfo; Low, John Nicolson","6-(1H-1,2,3-Benzotriazol-1-yl)-1,2,5,6-tetrahydro-4H-pyrrolo[3,2,1-ij]quinoline","Acta Crystallographica Section E","2001","57","2","o178","o179","10.1107/S1600536801001672","","","0.71073","MoKα","","0.0667","0.0446","","","","0.1115","","","","","","1.272","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00","" "2200180","6.3459","0.0013","19.235","0.004","11.144","0.002","90","","103.07","0.03","90","","1325","0.5","150","1","150","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","5-(1,3-Benzothiazol-2-yliminomethyl)-2,2-dimethyl-1,3-dioxane-4,6-dione","","- C14 H12 N2 O4 S -","- C14 H12 N2 O4 S -","- C56 H48 N8 O16 S4 -","4","1","NA6043","Cannon, Debbie; Quesada, Antonio; Quiroga, Jairo; Insuasty, Braulio; Abonia, Rodrigo; Hernández, Pedro; Cobo, Justo; Nogueras, Manuel; Sánchez, Adolfo; Low, John Nicolson","5-(1,3-Benzothiazol-2-yliminomethyl)-2,2-dimethyl-1,3-dioxane-4,6-dione","Acta Crystallographica Section E","2001","57","2","o180","o181","10.1107/S1600536801001684","","","0.71073","MoKα","","0.0671","0.0451","","","","0.1231","","","","","","1.076","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00","" "2200181","5.5421","0.0002","11.5858","0.0005","23.8057","0.0013","90","","90","","90","","1528.56","0.12","150","1","150","1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","6-(2-Hydroxybenzoyl)-2-(4-nitrophenyl)pyrazolo[1,5-a]pyrimidine","","- C19 H12 N4 O4 -","- C19 H12 N4 O4 -","- C76 H48 N16 O16 -","4","1","NA6044","Cannon, Debbie; Quesada, Antonio; Quiroga, Jairo; Insuasty, Braulio; Abonia, Rodrigo; Mejía, Diana; Cobo, Justo; Nogueras, Manuel; Sánchez, Adolfo; Low, John Nicolson","6-(2-Hydroxybenzoyl)-2-(4-nitrophenyl)pyrazolo[1,5-a]pyrimidine","Acta Crystallographica Section E","2001","57","2","o182","o184","10.1107/S1600536801001696","","","0.71073","MoKα","","0.0935","0.0469","","","","0.1243","","","","","","1.066","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00","" "2200182","19.0427","0.0002","9.6024","0.0004","16.6135","0.0007","90","","90","","90","","3037.87","0.18","150","1","150","1","","","","","","","","4","P n a 21","P 2c -2n","33","","5,5-Dimethyl-3-[(5-phenyl-1H-pyrazol-3-yl)amino]cyclohex-2-en-1-one","","- C17 H19 N3 O -","- C17 H19 N3 O -","- C136 H152 N24 O8 -","8","2","NA6045","Quesada, Antonio; Cannon, Debbie; Quiroga, Jairo; Insuasty, Braulio; Abonia, Rodrigo; Mejía, Diana; Cobo, Justo; Nogueras, Manuel; Sánchez, Adolfo; Low, John Nicolson","5,5-Dimethyl-3-[(5-phenyl-1H-pyrazol-3-yl)amino]cyclohex-2-en-1-one","Acta Crystallographica Section E","2001","57","2","o185","o186","10.1107/S1600536801001702","","","0.71073","MoKα","","0.0736","0.0516","","","","0.1228","","","","","","0.993","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00","" "2200183","5.6606","0.0002","11.7048","0.0005","21.6815","0.001","90","","94.797","0.0015","90","","1431.5","0.1","150","1","150","1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","6-(2-hydroxybenzoyl)-2-phenylpyrazolo[1,5-a]pyrimidine","","- C19 H13 N3 O2 -","- C19 H13 N3 O2 -","- C76 H52 N12 O8 -","4","1","NA6046","Quesada, Antonio; Cannon, Debbie; Quiroga, Jairo; Mejía, Diana; Insuasty, Braulio; Abonia, Rodrigo; Cobo, Justo; Nogueras, Manuel; Sánchez, Adolfo; Low, John Nicolson","6-(2-Hydroxybenzoyl)-2-phenylpyrazolo[1,5-a]pyrimidine","Acta Crystallographica Section E","2001","57","2","o187","o188","10.1107/S1600536801001714","","","0.71073","MoKα","","0.0742","0.0458","","","","0.136","","","","","","1.036","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00","" "2200184","3.9972","0.0004","14.0618","0.0017","9.5477","0.0011","90","","100.6","0.007","90","","527.5","0.1","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","2-[4-(Dimethylamino)phenyl]ethylene-1,1-dinitrile","","- C12 H11 N3 -","- C12 H11 N3 -","- C24 H22 N6 -","2","1","NA6047","Wang, Kezhi; Wang, Zheming; Yan, Chunhua","2-[4-(Dimethylamino)phenyl]ethylene-1,1-dinitrile","Acta Crystallographica Section E","2001","57","3","o214","o215","10.1107/S1600536801001957","","","0.71073","MoKα","","0.0485","0.0386","","","","0.1057","","","","","","1.061","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00","" "2200185","7.5468","0.0015","9.874","0.002","20.378","0.004","95.2","0.03","91.64","0.03","110.15","0.03","1416.8","0.6","150","1","150","1","","","","","","","","3","P -1","-P 1","2","","Tetradecyl-triphenylstannane","","- C32 H44 Sn -","- C32 H44 Sn -","- C64 H88 Sn2 -","2","1","NA6048","Allan, Gillian, M.; Low, John Nicolson; Skakle, Janet M.S.; Wardell, James L.; Wardell, Solange M. S. V.","Triphenyltetradecylstannane","Acta Crystallographica Section E","2001","57","3","m95","m96","10.1107/S1600536801002331","","","0.71073","MoKα","","0.0531","0.0345","","","","0.0708","","","","","","0.998","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00","" "2200186","6.564","0.0003","9.7316","0.0005","28.4686","0.0014","90","","90","","90","","1818.52","0.15","291","1","291","1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C20 H28 O4 -","- C20 H28 O4 -","- C80 H112 O16 -","4","1","NA6049","Zelder, Claudia; Schürmann, Markus; Preut, Hans; Krause, Norbert","Cyclodec-2'-ynyl (1S,1'R)-(‒)-4,7,7-trimethyl-3-oxo-2-oxabicyclo[2.2.1]heptane-1-carboxylate","Acta Crystallographica Section E","2001","57","3","o216","o217","10.1107/S1600536801002380","","","0.71073","MoKα","","0.1312","0.0395","","","","0.0846","","","","","","0.963","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00","" "2200187","14.882","0.003","10.366","0.002","24.064","0.003","90","","121.987","0.011","90","","3148.6","1","293","1","293","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","N,N-dimethyl-5-dimethylamino-3-(pyrrole)-2,4-pentadieniminium tetrafluoroborate","","- C13 H20 B F4 N3 -","- C13 H20 B F4 N3 -","- C104 H160 B8 F32 N24 -","8","2","NA6050","Ferguson, George; McAlees, Alan J.; McCrindle, Robert","N,N-Dimethyl-5-dimethylamino-3-(1-pyrrolyl)-2,4-pentadieniminium tetrafluoroborate","Acta Crystallographica Section E","2001","57","3","o295","o297","10.1107/S1600536801003166","","","0.71073","MoKα","","0.1429","0.0611","","","","0.2197","","","","","","1.09","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00","" "2200188","16.909","0.003","6.525","0.001","9.622","0.002","90","","101.46","0.03","90","","1040.4","0.3","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","morpholinyl tert-butyl urea","N-tert-Butylmorpholine-4-carboxamide","","- C9 H18 N2 O2 -","- C9 H18 N2 O2 -","- C36 H72 N8 O8 -","4","1","NA6051","Kruszynski, Rafal; Bartczak, Tadeusz J.; Lach, Dariusz; Brandt, Krystyna","N-tert-Butylmorpholine-4-carboxamide","Acta Crystallographica Section E","2001","57","3","o273","o275","10.1107/S1600536801003282","","","0.71073","MoKα","","0.07","0.0649","","","","0.1722","","","","","","1.134","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00","" "2200189","13.667","0.002","15.046","0.002","17.764","0.002","90","","100.32","0.01","90","","3593.8","0.8","297","","","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C36 H48 Br Co N2 O6 -","- C36 H48 Br Co N2 O6 -","- C144 H192 Br4 Co4 N8 O24 -","4","2","NA6052","Ohba, Shigeru; Nagata, Takushi; Yamada, Tohru","(‒)~D~-Aquabromo{3,3'-[(1R,2R)-1,2-bis(2,4,6-trimethylphenyl)ethane-1,2-diylbis(nitrilomethylidyne)]bis(pentane-2,4-dionato)-N,N',O,O'}cobalt(III) tetrahydrofuran solvate","Acta Crystallographica Section E","2001","57","3","m124","m126","10.1107/S1600536801003592","","","0.71073","MoKα","","","0.0638","","","","0.1859","","","","","","1.035","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00","" "2200190","6.277","0.0001","19.708","0.0004","11.9399","0.0001","90","","101.64","","90","","1446.67","0.04","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","5-(1-Acetamido-3-methyl)butyl-5methyl-2,4-imidazolidinedione","","- C11 H21 N3 O4 -","- C11 H21 N3 O4 -","- C44 H84 N12 O16 -","4","1","NA6053","SethuSankar, K.; Thennarasu, S.; Velmurugan, D.; Shanmuga Sundara Raj, S.; Fun, H.-K.; Perumal, P.T.","5-(1-Acetamido-3-methylbutyl)-5-methylimidazolidine-2,4-dione monohydrate","Acta Crystallographica Section E","2001","57","4","o377","o379","10.1107/S1600536801004561","","","0.71073","MoKα","","0.0815","0.0572","","","","0.1662","","","","","","0.941","","","","has coordinates","176774","2020-10-21","18:00:00","" "2200191","9.8535","0.0007","14.888","0.001","12.5317","0.0008","90","","108.805","0.005","90","","1740.3","0.2","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Diethyl 2-(acridin-9-ylmethylene)malonate","","- C21 H19 N O4 -","- C21 H19 N O4 -","- C84 H76 N4 O16 -","4","1","NA6054","Senhaji, Fatima-Zahra; El-Bali, Brahim; Kerbal, Abdelali; Tajdine, Janati; Bitit, Najib; Bolte, Michael","Diethyl 2-(acridin-9-ylmethylene)malonate","Acta Crystallographica Section E","2001","57","3","o298","o299","10.1107/S160053680100366X","","","0.71073","MoKα","","0.0402","0.0358","","","","0.0863","","","","","","1.049","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00","" "2200192","16.624","0.0005","26.0007","0.0016","8.2207","0.0007","90","","90","","90","","3553.3","0.4","293","2","293","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","4,8,9,10-Tetra(4-methoxyphenyl)-1,3-diazaadamantan-6-one-benzene solvate","","- C42 H42 N2 O5 -","- C42 H42 N2 O5 -","- C168 H168 N8 O20 -","4","0.5","NA6059","Krishnakumar, R. V.; Vijayakumar, V.; Sundaravadivelu, M.; Natarajan, S.; Perumal, S.; Selvaraj, S.","4,8,9,10-Tetrakis(4-methoxyphenyl)-1,3-diazaadamantan-6-one benzene solvate","Acta Crystallographica Section E","2001","57","4","o305","o306","10.1107/S1600536801003956","","","1.5418","CuKα","","0.1083","0.0662","","","","0.1913","","","","","","1.134","","","","has coordinates","176774","2020-10-21","18:00:00","" "2200193","5.7818","0.0002","15.32","0.001","17.469","0.001","90","","97.476","0.001","90","","1534.2","0.14","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C15 H17 N5 O -","- C15 H17 N5 O -","- C60 H68 N20 O4 -","4","1","NA6060","Wang, Ying; Jian, Fangfang; Yang, Xujie; Lu, Lude; Wang, Xin; Fun, Hoong-Kun; Chantrapromma, Suchada; Razak, Ibrahim Abdul","Diphenylcarbazide acetonitrile solvate","Acta Crystallographica Section E","2001","57","4","o312","o314","10.1107/S160053680100397X","","","0.71073","MoKα","","0.0834","0.0561","","","","0.1712","","","","","","1.008","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00","" "2200194","5.1677","0.0006","7.1944","0.0009","11.6869","0.0015","90","","100.449","0.002","90","","427.3","0.09","183","2","183","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Ethanedithiol Diacetate","","- C6 H10 O2 S2 -","- C6 H10 O2 S2 -","- C12 H20 O4 S4 -","2","0.5","NA6061","Fleischer, Holger; Schollmeyer, Dieter","Ethanedithiol diacetate","Acta Crystallographica Section E","2001","57","4","o330","o331","10.1107/S1600536801004408","","","0.71069","MoKα","","0.0414","0.0399","","","0.1157","0.118","","","","","","1.095","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00","" "2200195","6.6159","0.0007","8.507","0.001","9.468","0.001","88.57","0.06","72.53","0.09","80.89","0.04","501.7","0.3","298","","","","","","","","","","","4","P -1","-P 1","2","","","","- C11 H12 N2 S -","- C11 H12 N2 S -","- C22 H24 N4 S2 -","2","1","NA6062","Moussaif, A.; Essassi, E. M.; Pierrot, M.","2,3,4,5-Tetrahydro-1,3-thiazepino[3,2-a][1,3]benzimidazole","Acta Crystallographica Section E","2001","57","4","o364","o365","10.1107/S1600536801004913","","","0.71073","MoKα","","0.057","0.052","","0.091","","0.091","","","1.009","","","1.002","","","","has coordinates","201973","2020-10-21","18:00:00","" "2200196","10.347","0.002","11.496","0.002","12.569","0.003","106.61","0.03","92.04","0.03","114.55","0.03","1282.6","0.6","296","1","23","1","","","","","","","","5","P -1","-P 1","2","","tetrakis-(N,N-di-(4-Cl-phenyl)formamidinato)dimolybdenum(II)","","- C52 H36 Cl8 Mo2 N8 -","- C52 H36 Cl8 Mo2 N8 -","- C52 H36 Cl8 Mo2 N8 -","1","0.5","OB6009","Lynn, Matthew A.; Selby, Hugh D.; Carducci, Michael D.; Bruck, Michael A.; Grittini, Carina; Lichtenberger, Dennis L.","Tetrakis[μ-N,N'-bis(4-chlorophenyl)formamidinato-N:N']dimolybdenum(II)","Acta Crystallographica Section E","2001","57","2","m57","m58","10.1107/S1600536800021139","","","0.71073","MoKα","","0.0266","0.0236","","","","0.0644","","","","","","1.081","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00","" "2200197","10.437","0.002","11.61","0.002","12.801","0.003","107","0.03","92.56","0.03","113.31","0.03","1339.4","0.7","296","2","296","2","","","","","","","","5","P -1","-P 1","2","tetrakis-((4-Br-Ph)form) dimolybdenum(II)","Tetrakis[μ-N,N'-bis(4-bromophenyl)formamidinato-N:N']dimolybdenum(II)","","- C52 H36 Br8 Mo2 N8 -","- C52 H36 Br8 Mo2 N8 -","- C52 H36 Br8 Mo2 N8 -","1","0.5","OB6010","Matthew A. Lynn; Hugh D. Selby; Michael D. Carducci; Michael A. Bruck; Carina Grittini; Dennis L. Lichtenberger","Tetrakis[μ-N,N'-bis(4-bromophenyl)formamidinato-N:N']dimolybdenum(II)","Acta Crystallographica Section E","2001","57","2","m70","m71","10.1107/S160053680100071X","","","0.71073","MoKα","","0.174","0.064","","","","0.11","","","","","","1.004","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00","" "2200198","13.32","0.006","7.253","0.002","9.42","0.003","90","","90","","90","","910.1","0.6","293","2","293","2","","","","","","","","5","P n m a","-P 2ac 2n","62","Sodium bromoaurate dihydrate","Sodium tetrabromoaurate(III) dihydrate","","- Au Br4 H4 Na O2 -","- Au Br4 H4 Na O2 -","- Au4 Br16 H16 Na4 O8 -","4","0.5","OB6012","Welter, Richard; Omrani, Hedi; Vangelisti, Rene","Sodium tetrabromoaurate(III) dihydrate","Acta Crystallographica Section E","2001","57","2","i8","i9","10.1107/S1600536800021140","","","0.5608","AgKα","","0.1","0.049","","","","0.097","","","","","","1.086","","","","has coordinates","176435","2020-10-21","18:00:00","" "2200199","11.6587","0.0009","7.2783","0.0006","27.9741","0.0016","90","","99.684","0.003","90","","2339.9","0.3","180","2","180","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","3-Cyano-4-(N,N-dimethylamino)-6-phenyl-2H-pyran-2-one","","- C14 H12 N2 O2 -","- C14 H12 N2 O2 -","- C112 H96 N16 O16 -","8","2","OB6013","Errington, William; Malhotra, Sanjay; Parmar, Virinder S","3-Cyano-4-(N,N-dimethylamino)-6-phenyl-2H-pyran-2-one","Acta Crystallographica Section E","2001","57","2","o108","o110","10.1107/S1600536800021115","","","0.71073","MoKα","","0.096","0.048","","","","0.114","","","","","","1.014","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00","" "2200200","3.901","0.001","17.398","0.002","15.749","0.002","90","","94.51","0.01","90","","1065.6","0.3","173","1","173","1","","","","","","","","3","C 1 c 1","C -2yc","9","","2,3,4'-Trichlorobiphenyl","","- C12 H7 Cl3 -","- C12 H7 Cl3 -","- C48 H28 Cl12 -","4","1","OB6018","Lehmler, Hans-Joachim; Parkin, Sean; Robertson, Larry W.","2,3,4'-Trichlorobiphenyl","Acta Crystallographica Section E","2001","57","2","o111","o112","10.1107/S1600536800021127","","","0.71073","MoKα","","0.0287","0.0261","","","","0.0539","","","","","","1.07","","","","has coordinates","201973","2020-10-21","18:00:00","" "2200201","12.78","0.003","16.931","0.003","7.8532","0.0016","90","","101.85","0.03","90","","1663","0.6","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2-Chloro-3-[4-(ethoxycarbonyl)-1-piperidyl]-1,4-naphthoquinone","","- C18 H18 Cl N O4 -","- C18 H18 Cl N O4 -","- C72 H72 Cl4 N4 O16 -","4","1","OB6020","Lynch, Daniel E.; McClenaghan, Ian; Coles, Simon J.","2-Chloro-3-[4-(ethoxycarbonyl)-1-piperidyl]-1,4-naphthoquinone","Acta Crystallographica Section E","2001","57","2","o125","o126","10.1107/S1600536801000708","","","0.71073","MoKα","","0.201","0.055","","","","0.154","","","","","","0.922","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00","" "2200202","5.6592","0.0009","8.5549","0.0013","8.707","0.0014","87.454","0.003","85.36","0.003","85.004","0.003","418.27","0.11","293","2","","","","","","","","","","5","P -1","-P 1","2","","Diprotonated 3,6-di-2-pyridyl-1,2,4,5-tetrazine diperchlorate","","- C12 H10 Cl2 N6 O8 -","- C12 H10 Cl2 N6 O8 -","- C12 H10 Cl2 N6 O8 -","1","0.5","OB6021","Liu, He; Du, Miao; Bu, Xian-He","3,6-Di-2-pyridinio-1,2,4,5-tetrazine diperchlorate","Acta Crystallographica Section E","2001","57","2","o127","o128","10.1107/S1600536801000721","","","0.71073","MoKα","","","0.0371","","","","0.1165","","","","","","0.894","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00","" "2200203","11.663","0.001","18.862","0.002","11.363","0.001","90","","94.882","0.006","90","","2490.6","0.4","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C25 H31 N O6 S2 -","- C25 H31 N O6 S2 -","- C100 H124 N4 O24 S8 -","4","1","OB6022","Mori, Akira; Kubo, Kanji; Yin, Bing Zhu; Takeshita, Hitoshi","18-Isopropyl-15-(4-nitrophenyl)-5,8,11-trioxa-2,14-dithiabicyclo[14.4.1]henicosa-1(20),16,18-trien-21-one","Acta Crystallographica Section E","2001","57","2","o129","o130","10.1107/S1600536801001027","","","0.71073","MoKα","","0.194","0.055","","","","0.167","","","","","","1","","","","has coordinates","176774","2020-10-21","18:00:00","" "2200204","7.663","0.001","9.693","0.001","12.877","0.001","86.56","0.01","78.56","0.01","76.3","0.02","910.71","0.19","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C19 H17 Br O6 -","- C19 H17 Br O6 -","- C38 H34 Br2 O12 -","2","1","OB6023","Wallet, Jean-Claude; Espinosa, Enrique; Molins, Elies; Miravitlles, Carlos","2',6'-Dimethoxyflavone‒bromoacetic acid (1/1)","Acta Crystallographica Section E","2001","57","2","o174","o175","10.1107/S1600536801001295","","","0.71073","MoKα","","0.2508","0.0747","","","","0.2485","","","","","","0.955","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00","" "2200205","6.451","0.003","9.2109","0.0009","26.558","0.008","90","","90","","90","","1578.1","0.9","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","5α-androst-3-en-one","","- C19 H28 O -","- C19 H28 O -","- C76 H112 O4 -","4","1","OB6025","Paixão, J. A.; Andrade, L. C. R.; de Almeida, M. J.; Tavares da Silva, E. J.; Fernandes Roleira, F. M.; Sá e Melo, M. L.; Campos Neves, A. S.","5α-Androst-3-en-17-one","Acta Crystallographica Section E","2001","57","2","o189","o191","10.1107/S1600536801001726","","","0.71073","MoKα","","0.0675","0.0402","","","","0.1094","","","","","","1.068","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00","" "2200206","14.539","0.001","14.55","0.001","17.85","0.001","90","","94.55","0.001","90","","3764.1","0.4","173","2","173","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","ferrocenediylphosphinoplatinum","[Ferrocene-1,1'-diylbis(diphenylphosphine-P)](3,4-toluenethio)platinum(II) dichloromethane solvate","","- C42 H36 Cl2 Fe P2 Pt S2 -","- C42 H36 Cl2 Fe P2 Pt S2 -","- C168 H144 Cl8 Fe4 P8 Pt4 S8 -","4","1","OB6026","Bacsa, John; Darkwa, James; Maisela, Letladi L.","[Ferrocene-1,1'-diylbis(diphenylphosphine-P)](toluene-3,4-dithiolato)platinum(II) dichloromethane solvate","Acta Crystallographica Section E","2001","57","3","m109","m110","10.1107/S1600536801002264","","","0.71073","MoKα","","0.0873","0.0507","","","","0.1106","","","","","","1.041","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00","" "2200207","5.9247","0.0007","13.5925","0.0011","8.3407","0.0007","90","","95.452","0.008","90","","668.65","0.11","100","5","100","5","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","5-chloro-6-nitroso-2-norbornene dimer or 1,2-bis(5-chloronorbornen-6-yl)diazene 1,2-dioxide","","- C14 H16 Cl2 N2 O2 -","- C14 H16 Cl2 N2 O2 -","- C28 H32 Cl4 N4 O4 -","2","0.5","OB6027","Milovac, Srdjan; Šimunić-Mežnarić, Vesna; Vančik, Hrvoj; Višnjevac, Aleksandar; Kojić-Prodić, Biserka","5-Chloro-6-nitroso-2-norbornene dimer as a motif for supramolecular assembly","Acta Crystallographica Section E","2001","57","3","o218","o219","10.1107/S160053680100232X","","","0.71069","MoKα","","0.0568","0.0304","","","","0.0828","","","","","","1.017","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00","" "2200208","8.554","0.003","9.201","0.003","17.036","0.005","74.903","0.005","78.792","0.005","69.739","0.005","1206.4","0.7","298","2","","","","","","","","","","6","P -1","-P 1","2","","Diazide[bis(2-pyridyl)amine] Co^III^ perchlorate","","- C20 H18 Cl Co N12 O4 -","- C20 H18 Cl Co N12 O4 -","- C40 H36 Cl2 Co2 N24 O8 -","2","1","OB6028","Du, Miao; Guo, Ya-Mei; Leng, Xue-Bing; Bu, Xian-He","Diazido[bis(2-pyridyl)amine-N,N']cobalt(III) perchlorate","Acta Crystallographica Section E","2001","57","3","m97","m99","10.1107/S160053680100263X","","","0.71073","MoKα","","","0.0451","","","","0.1205","","","","","","1.01","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00","" "2200209","10.9356","0.0002","11.9818","0.0002","12.4945","0.0003","104.888","0.001","93.268","0.001","113.402","0.001","1428.49","0.05","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","Tetra-μ-benzoato-O:O'-bis[(benzoato-O,O')(1,10-phenanthroline-N,N')- lanthanum(III)]","","- C66 H46 La2 N4 O12 -","- C66 H46 La2 N4 O12 -","- C66 H46 La2 N4 O12 -","1","0.5","OB6029","Shi, Qian; Hu, Maolin; Cao, Rong; Liang, Yucang; Hong, Maochun","Tetra-μ-benzoato-O:O'-bis[(benzoato-O,O')(1,10-phenanthroline-N,N')lanthanum(III)]","Acta Crystallographica Section E","2001","57","3","m122","m123","10.1107/S1600536801002963","","","0.71073","MoKα","","0.028","0.0237","","","","0.0597","","","","","","1.035","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00","" "2200210","7.38","0.006","13.515","0.006","28.189","0.014","90","","90","","90","","2812","3","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C28 H42 B2 P2 -","- C28 H42 B2 P2 -","- C112 H168 B8 P8 -","4","1","OB6030","Lebel, Hélène; Berthod, Michael; Bélanger-Gariépy, Francine","(+)-(RR)-{μ-m-Phenylenedimethylenebis[tert-butyl(phenyl)phosphine]}bis(borane)","Acta Crystallographica Section E","2001","57","3","o282","o284","10.1107/S160053680100294X","","","1.54056","CuKα","","0.0388","0.0351","","0.0899","","0.0884","","","0.983","","","1.028","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00","" "2200211","8.481","0.002","9.1928","0.0009","12.898","0.0014","90","","96.89","0.02","90","","998.3","0.3","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","pyrazinotetrathiafulvalene","2-(1,3-dithiol-2-ylidene)-2,3-dihydro-1,3-dithia-4,7-diazaindene","","- C8 H4 N2 S4 -","- C8 H4 N2 S4 -","- C32 H16 N8 S16 -","4","1","OB6031","Tomura, Masaaki; Yamashita, Yoshiro","Tetrathiafulvalene with a fused pyrazine ring","Acta Crystallographica Section E","2001","57","4","o307","o308","10.1107/S1600536801003701","","","1.54178","CuKα","","0.2738","0.0794","","","","0.1984","","","","","","1.072","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00","" "2200212","14.231","0.008","15.663","0.0014","8.206","0.004","90","","103.044","0.008","90","","1781.9","1.3","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C21 H24 N2 O2 -","- C21 H24 N2 O2 -","- C84 H96 N8 O8 -","4","0.5","OB6032","Hökelek, Tuncer; Kaya, Elif Ece; Kılıç, Zeynel","2,7-Dioxa-15,19-diazatricyclo[19,4,0,0^8,13^]pentacosa-8,10,12,21,23,25(1)-hexaene","Acta Crystallographica Section E","2001","57","4","o309","o311","10.1107/S1600536801003889","","","0.71073","MoKα","","0.0461","0.0362","","","","0.106","","","","","","1.057","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00","" "2200213","8.174","0.002","8.76","0.002","11.793","0.002","75.68","0.02","85.77","0.02","84.98","0.02","813.9","0.3","290","2","290","2","","","","","","","","5","P -1","-P 1","2","","Ethyl 4-butylamino-2-chloroquinoline-3-carboxylate","","- C16 H19 Cl N2 O2 -","- C16 H19 Cl N2 O2 -","- C32 H38 Cl2 N4 O4 -","2","1","OM6000","Baumer, Vyacheslav N.; Shishkin, Oleg V.; Ukrainets, Igor V.; Taran, Svetlana G.; Amin, Jaradat Nidal","Ethyl 4-butylamino-2-chloroquinoline-3-carboxylate","Acta Crystallographica Section E","2001","57","3","o254","o255","10.1107/S1600536801002276","","","0.71073","MoKα","","0.052","0.038","","","","0.072","","","","","","0.91","","","","has coordinates","201973","2020-10-21","18:00:00","" "2200214","11.9992","0.0008","14.623","0.0009","15.0146","0.0013","75.182","0.003","89.959","0.003","89.793","0.002","2546.9","0.3","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C41 H78 O11 Si8 -","- C41 H74 O11 Si8 -","- C82 H148 O22 Si16 -","2","1","OM6001","Arnold, Polly L.; Blake, Alexander J.","Selective reduction in ring size of silsesquioxane oligomers mediated by potassium metal","Acta Crystallographica Section E","2001","57","2","o131","o133","10.1107/S1600536801000745","","","0.71073","MoKα","","0.123","0.06","","","","0.163","","","","","","1","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00","" "2200215","15.3582","0.0015","11.6957","0.0012","14.8253","0.0012","90","","90","","90","","2663","0.4","153","2","153","2","","","","","","","","7","P c c a","-P 2a 2ac","54","","","","- C25 H18.8 Ag F3 N4 O4.4 S -","- C25 H18 Ag F3 N4 O4.4 S -","- C100 H72 Ag4 F12 N16 O17.6 S4 -","4","0.5","OM6002","Vallina, Ana Tesouro; Stoeckli-Evans, Helen","catena-Poly[[silver(I)-μ-{bis[4-(2-pyridylmethyleneamino)phenyl] ether}] trifluoromethanesulfonate 0.4-hydrate]: a zigzag coordination polymer","Acta Crystallographica Section E","2001","57","2","m59","m61","10.1107/S1600536800020869","","","0.71073","MoKα","","0.124","0.042","","","","0.095","","","","","","0.74","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00","" "2200216","7.9833","0.0006","14.6168","0.0008","18.744","0.002","107.18","0.005","96.514","0.005","99.57","0.005","2029.7","0.3","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C29 H21 N O2 -","- C29 H21 N O2 -","- C116 H84 N4 O8 -","4","2","OM6003","Senhaji, Fatima-Zahra; El-Bali, Brahim; Kerbal, Abdelali; Zenkouar, Mohammed; Tajdine, Janati; Bitit, Najib; Bolte, Michael","10-[2-(9-Anthryloxy)ethyl]-9-acridone","Acta Crystallographica Section E","2001","57","2","o134","o135","10.1107/S1600536801000782","","","0.71073","MoKα","","0.104","0.052","","","","0.125","","","","","","1.016","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00","" "2200217","8.3141","0.0008","14.6625","0.0013","9.067","0.0009","90","","115.154","0.002","90","","1000.5","0.17","298","2","","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C18 H9 Co N9 O6 -","- C18 H9 Co N9 O6 -","- C36 H18 Co2 N18 O12 -","2","1","OM6006","Liu, He; Du, Miao; Ge, Xiao-Jing; Bu, Xian-He; Yang, Ming","A novel heptacoordinated cobalt(II) complex of 6,7-dicyanodipyridoquinoxaline (dcdpq): [Co(NO~3~)~2~(CH~3~CN)(dcdpq)]","Acta Crystallographica Section E","2001","57","3","m100","m102","10.1107/S1600536801002422","","","0.71073","MoKα","","","0.028","","","","0.07","","","","","","1.05","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00","" "2200218","7.5403","0.001","13.6498","0.0019","14.4042","0.0011","90","","101.958","0.008","90","","1450.4","0.3","180","2","180","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","N,N-diisopropyl-1-naphthamide","N,N-diisopropyl-1-naphthamide","","- C17 H21 N O -","- C17 H21 N O -","- C68 H84 N4 O4 -","4","1","OM6007","Bond, Andrew D.; Clayden, J.; Wheatley, Andrew E. H.","N,N-Diisopropyl-1-naphthamide","Acta Crystallographica Section E","2001","57","3","o292","o294","10.1107/S1600536801003580","","","0.71073","MoKα","","0.1025","0.0652","","","","0.1477","","","","","","1.071","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00","" "2200219","7.4432","0.0002","10.9094","0.0002","13.2137","0.0004","90","","90","","90","","1072.96","0.05","120","2","120","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","1-(2-propynyloxy)-tricyclo[3.3.1.1^3,7^]decane","","- C13 H18 O -","- C13 H18 O -","- C52 H72 O4 -","4","1","OM6008","Mague, Joel T.; Alworth, William L.; Foroozesh, Maryam","1-Adamantyl propargyl ether","Acta Crystallographica Section E","2001","57","3","o220","o221","10.1107/S1600536801002628","","","0.71073","MoKα","","0.05","0.039","","","","0.092","","","","","","1.02","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00","" "2200220","9.244","0.0018","19.239","0.004","10.682","0.002","90","","93.37","0.03","90","","1896.5","0.6","193","2","193","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H24 O2 S2 -","- C20 H24 O2 S2 -","- C80 H96 O8 S8 -","4","1","OM6010","Kansikas, Jarno; Sipilä, Kaija","(1S*,2R*,2'R*)-2-Phenyl-1-phenylthio-1-(tetrahydropyran-2-ylthio)propan-2-ol at 193K","Acta Crystallographica Section E","2001","57","4","o335","o337","10.1107/S160053680100438X","","","0.71073","MoKα","","0.078","0.046","","","","0.1069","","","","","","1.046","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00","" "2200221","5.7702","0.0005","11.321","0.001","22.39","0.001","90","","91.47","0.01","90","","1462.13","0.19","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","9-(Cyclohexylmethyl)-6-(dimethylamino)-9H-purine","","- C14 H21 N5 -","- C14 H21 N5 -","- C56 H84 N20 -","4","1","OM6012","Kubicki, Maciej; Codding, Penelope W.","9-(Cyclohexylmethyl)-6-(dimethylamino)-9H-purine","Acta Crystallographica Section E","2001","57","4","o332","o334","10.1107/S1600536801004329","","","1.54178","CuKα","","0.074","0.0567","","","","0.1244","","","","","","1.025","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00","" "2200222","11.908","0.003","8.2396","0.0014","13.925","0.004","90","","103.14","0.03","90","","1330.5","0.6","180","2","180","2","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","2-(Toluene-4-sulfonylamino)benzoyl fluoride","","- C14 H12 F N O3 S -","- C14 H12 F N O3 S -","- C56 H48 F4 N4 O12 S4 -","4","1","TK6000","Ziemer, Burkhard; Surygina, Oxana; Ehwald, Max","2-(Toluene-4-sulfonylamino)benzoyl fluoride","Acta Crystallographica Section E","2001","57","2","o139","o140","10.1107/S1600536801001040","","","0.71073","MoKα","","0.037","0.03","","","","0.082","","","","","","1.038","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00","" "2200223","9.3725","0.0002","10.7012","0.0002","23.0919","0.0004","90","","90","","90","","2316.05","0.08","120","","120","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","(E)-3-methoxy-3-methylsulfanylisothiochroman-4-one oxime","","- C11 H13 N O2 S2 -","- C11 H13 N O2 S2 -","- C88 H104 N8 O16 S16 -","8","1","TK6001","Coustard, Jean-Marie; Le Toquin, Ronan; Leo, Roland; Paulus, Werner; Cousson, Alain","(E)-3-Methoxy-3-methylsulfanylisothiochroman-4-one oxime","Acta Crystallographica Section E","2001","57","3","o256","o257","10.1107/S1600536801002707","","","0.71073","MoKα","","","0.036","","","","0.043","","","","","","1.055","","","","has coordinates","176435","2020-10-21","18:00:00","" "2200224","9.6233","0.0009","10.2686","0.0008","16.272","0.002","90","","97.672","0.011","90","","1593.6","0.3","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Tricarbonylbis(4-methyl-1,3-thiazole-2(3H)-thionato-N,S^2^)tungsten(II)","","- C11 H8 N2 O3 S4 W -","- C11 H8 N2 O3 S4 W -","- C44 H32 N8 O12 S16 W4 -","4","1","TK6003","Esterhuysen, Catharine; Kruger, Gert J.; Olivier, Denise K.; Raubenheimer, Helgard G.; Retief, Lizette; Cronje, Stephanie","Tricarbonylbis(4-methyl-1,3-thiazole-2(3H)-thionato-N,S^2^)tungsten(II)","Acta Crystallographica Section E","2001","57","2","m72","m74","10.1107/S1600536801001179","","","0.71073","MoKα","","0.048","0.036","","","","0.119","","","","","","1.07","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00","" "2200225","4.998","0.002","5.22","0.002","34.853","0.002","90","","92.04","0.02","90","","908.7","0.5","298","","298","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","1,18-octadecanediol","","","- C18 H38 O2 -","- C18 H38 O2 -","- C36 H76 O4 -","2","0.5","TK6004","Nakamura, Naotake; Watanabe, Ryoji","Octadecane-1,18-diol","Acta Crystallographica Section E","2001","57","2","o136","o138","10.1107/S1600536801001052","","","1.5418","CuKα","","0.078","0.045","","0.072","","0.065","","","1.671","","","1.936","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00","" "2200226","23.908","0.005","7.6861","0.0015","22.947","0.005","90","","114.31","0.03","90","","3842.8","1.7","150","2","","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C46 H58 N4 O -","- C46 H56 N4 O -","- C184 H224 N16 O4 -","4","0.5","TK6005","Camiolo, Salvatore; Coles, Simon J.; Gale, Philip A.; Hursthouse, Michael B.; Paver, Michael A.","meso-Octacyclopropylcalix[4]pyrrole ethanol solvate","Acta Crystallographica Section E","2001","57","3","o258","o260","10.1107/S1600536801002719","","","0.71073","MoKα","","","0.088","","","","0.267","","","","","","1.575","","","","has coordinates,has disorder","176774","2020-10-21","18:00:00","" "2200227","12.8585","0.0014","10.7092","0.0011","8.3657","0.0014","90","","103.052","0.011","90","","1122.2","0.3","296","2","296","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C11 H11 N O5 -","- C11 H11 N O5 -","- C44 H44 N4 O20 -","4","1","TK6006","Kubo, Kanji; Tsuruta, Tetsuya; Mori, Akira","2-Butanoyloxy-5-nitrotropone","Acta Crystallographica Section E","2001","57","4","o326","o327","10.1107/S1600536801003749","","","0.71073","MoKα","","0.212","0.055","","","","0.168","","","","","","0.954","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00","" "2200228","15.428","0.001","9.346","0.002","22.506","0.005","90","","90","","90","","3245.1","1","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Ethyl 7-chloro-2,3-dihydro-2-oxo-5-phenyl-1H-1,4-benzodiazepine-3-carboxylate","","- C18 H15 Cl N2 O3 -","- C18 H15 Cl N2 O3 -","- C144 H120 Cl8 N16 O24 -","8","1","TK6008","Višnjevac, Aleksandar; Kojić-Prodić, Biserka","Ethyl 7-chloro-2,3-dihydro-2-oxo-5-phenyl-1H-1,4-benzodiazepine-3-carboxylate","Acta Crystallographica Section E","2001","57","4","o356","o357","10.1107/S1600536801004093","","","0.7107","MoKα","","0.392","0.075","","","","0.214","","","","","","0.835","","","","has coordinates","201973","2020-10-21","18:00:00","" "2200229","7.4194","0.0012","19.044","0.003","46.943","0.007","90","","90","","90","","6632.8","1.8","293","2","293","2","","","","","","","","5","F d d d :2","-F 2uv 2vw","70","","Triaqua(1,10-phenanthroline-2,9-dicarboxylato)magnesium(II) dihydrate","","- C14 H16 Mg N2 O9 -","- C14 H12 Mg N2 O9 -","- C224 H192 Mg16 N32 O144 -","16","0.5","TK6009","Park, Ki-Min; Yoon, Il; Seo, Joobeom; Lee, Yoon Hee; Lee, Shim Sung","A magnesium(II) complex of 1,10-phenanthroline-2,9-dicarboxylate","Acta Crystallographica Section E","2001","57","4","m154","m156","10.1107/S1600536801004317","","","0.71073","MoKα","","0.085","0.055","","","","0.186","","","","","","1.059","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00","" "2200230","8.778","0.002","15.3778","0.0019","8.442","0.002","90","","113.59","0.018","90","","1044.3","0.4","296","2","296","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C13 H13 N O -","- C13 H13 N O -","- C52 H52 N4 O4 -","4","1","TK6011","Kubo, Kanji; Tsujimoto, Teppei; Kato, Nobuo; Mori, Akira","2,3-Cyclohexanopyrrolo[2,3-b]tropone","Acta Crystallographica Section E","2001","57","4","o370","o371","10.1107/S1600536801005001","","","0.7107","MoKα","","0.257","0.062","","","","0.194","","","","","","0.939","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00","" "2200231","7.969","0.001","9.111","0.001","13.076","0.002","94.34","0.01","96.83","0.01","115.16","0.01","844.8","0.2","288","2","288","2","","","","","","","","6","P -1","-P 1","2","","","","- C16 H40 Mn2 N12 O8 S4 -","- C16 H40 Mn2 N12 O8 S4 -","- C16 H40 Mn2 N12 O8 S4 -","1","0.5","WN6000","Liu, Qi; Li, Baolong; Sun, Xiaoqiang; Xu, Zheng; Yu, Kaibei","Diaquabis(hexamethylenetetramine-N)bis(isothiocyanato)manganese(II) tetraaquabis(isothiocyanato)manganese(II) dihydrate","Acta Crystallographica Section E","2001","57","4","m151","m153","10.1107/S1600536801004068","","","0.71073","MoKα","","0.0293","0.0236","","","","0.0622","","","","","","1.058","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00","" "2200232","7.17","0.002","10.241","0.003","10.729","0.003","77.25","0.03","74.89","0.03","73.47","0.03","719.9","0.4","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C28 H32 N16 -","- C28 H32 N16 -","- C28 H32 N16 -","1","0.5","WN6001","Butler, Richard N.; McGinley, John M. G.; Mahon, Mary F.; Molloy, Kieran C.; NíBhrádaigh, Eithne P.","Diorthobenzenotetra(5',2'-tetrazolo)[5'-(2)-2'-(6)]cyclophane","Acta Crystallographica Section E","2001","57","2","o195","o197","10.1107/S1600536801001398","","","0.71069","MoKα","","0.0574","0.037","","0.1047","","0.0983","","","1.08","","","1.191","","","","has coordinates","201973","2020-10-21","18:00:00","" "2200233","4.9745","0.0002","5.3035","0.0002","6.7548","0.0002","89.733","0.002","102.717","0.002","99.6012","0.0013","171.305","0.011","110","2","110","2","","","","","","","","5","P 1","P 1","1","Lithium orotate monohydrate","lithium 1,2,3,6-tetrahydro-2,6-dioxo-4-pyrimidinecarboxylate monohydrate","","- C5 H5 Li N2 O5 -","- C5 H5 Li N2 O5 -","- C5 H5 Li N2 O5 -","1","1","WN6002","Lutz, Martin","Lithium orotate monohydrate","Acta Crystallographica Section E","2001","57","3","m103","m105","10.1107/S1600536801002392","","","0.71073","MoKα","","0.0319","0.0298","","","","0.0789","","","","","","1.089","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00","" "2200234","7.6864","0.0005","9.5175","0.0003","18.348","0.0012","90","","90","","90","","1342.25","0.13","180","2","180","2","","","","","","","","3","C m c a","-C 2ac 2","64","Pentafluorobenzonitrile","Pentafluorobenzonitrile","","- C7 F5 N -","- C7 F5 N -","- C56 F40 N8 -","8","","WN6003","Bond, Andrew D.; Davies, John E.; Griffiths, Joanne; Rawson, Jeremy M.","Pentafluorobenzonitrile","Acta Crystallographica Section E","2001","57","3","o231","o233","10.1107/S1600536801002641","","","0.71073","MoKα","","0.044","0.0365","","0.1357","","0.1076","","","1.118","","","1.147","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00","" "2200235","8.84","0.001","10.059","0.001","13.33","0.001","97.65","0.01","90.68","0.01","108.63","0.01","1111.3","0.2","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C28 H34 Br2 Cl12 N4 Si -","- C28 H34 Br2 Cl12 N4 Si -","- C28 H34 Br2 Cl12 N4 Si -","1","0.5","WN6005","Bolte, Michael; Faber, Alexander","Dihydridotetrakis(3-picoline)silicon dibromide chloroform tetrasolvate","Acta Crystallographica Section E","2001","57","3","o276","o278","10.1107/S1600536801003415","","","0.71073","MoKα","","0.1339","0.0926","","","","0.2682","","","","","","1.113","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00","" "2200236","11.6838","0.0009","9.922","0.0006","16.7493","0.0014","90","","90.542","0.006","90","","1941.6","0.2","297","1","297","1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","ferrocenylmethyl(chlorophenyl)benzimidazole","2-(3-Chlorophenyl)-1-ferrocenylmethyl-1H-1,3-benzimidazole","","- C24 H19 Cl Fe N2 -","- C24 H19 Cl Fe N2 -","- C96 H76 Cl4 Fe4 N8 -","4","1","WN6006","Gallagher, John F.; Hanlon, Keith; Howarth, Joshua; Thomas, Jean-Luc","2-(3-Chlorophenyl)-1-ferrocenylmethyl-1H-1,3-benzimidazole: an electroactive agent for anion sensor and malarial parasite studies","Acta Crystallographica Section E","2001","57","4","m134","m136","10.1107/S1600536801003804","","","0.71073","MoKα","","0.058","0.041","","","","0.105","","","","","","1.03","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00","" "2200237","27.307","0.002","4.6228","0.0004","12.5888","0.0011","90","","90","","90","","1589.1","0.2","296","2","296","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","1-methylethyl 2-bromo-4-(N-phthalimido)butanoate","","- C15 H16 Br N O4 -","- C15 H16 Br N O4 -","- C60 H64 Br4 N4 O16 -","4","1","WN6007","Skakle, Janet M. S.; Smyth, Gregory; Wardell, Solange M. S. V.","Isopropyl 2-bromo-4-(N-phthalimido)butanoate","Acta Crystallographica Section E","2001","57","4","o300","o302","10.1107/S1600536801003816","","","0.71073","MoKα","","0.1485","0.0735","","","","0.196","","","","","","1.05","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00","" "2200238","6.7475","0.001","12.5446","0.0016","6.9788","0.0017","90","","116.43","0.014","90","","528.98","0.18","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","Zn(1-aza-4-azinium-bicyclo[2.2.2]octane)trichloride","","- C6 H13 Cl3 N2 Zn -","- C6 H13 Cl3 N2 Zn -","- C12 H26 Cl6 N4 Zn2 -","2","1","WN6008","Wei, Mingyi; Willett, Roger D.","(1-Aza-4-aziniobicyclo[2.2.2]octane-N^1^)trichlorozinc(II)","Acta Crystallographica Section E","2001","57","4","m167","m168","10.1107/S1600536801004822","","","0.71073","MoKα","","0.0328","0.0312","","","","0.0773","","","","","","1.079","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00","" "2200239","11.307","0.001","9.475","0.001","14.919","0.002","90","","99.34","0.01","90","","1577.1","0.3","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2-Amino-7,7-dimethyl-4-benzyl-5-oxo-4,5,6,8-tetrahydro-7H-chromene -3-carbornitrile","","- C18 H18 N2 O2 -","- C18 H18 N2 O2 -","- C72 H72 N8 O8 -","4","1","WN6009","Tu, Shu-Jiang; Deng, Xu; Fang, Ya-Yin; Guo, Ya-Mei; Du, Miao; Liu, Xiao-Hong","2-Amino-7,7-dimethyl-5-oxo-4-phenyl-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile","Acta Crystallographica Section E","2001","57","4","o358","o359","10.1107/S1600536801004755","","","0.71073","MoKα","","0.0581","0.0381","","","","0.1023","","","","","","1.021","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00","" "2200240","8.901","0.003","21.075","0.004","22.721","0.005","90","","97.22","0.02","90","","4228.4","1.9","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","doxylamine hydrogensuccinate","Dimethylammoniumethoxy(methyl)benzylpyridine hydrogensuccinate","","- C21 H28 N2 O5 -","- C21 H28 N2 O5 -","- C168 H224 N16 O40 -","8","2","YA6001","Parvez, Masood; Dalrymple, Sean; Cote, Adrien","Doxylamine hydrogen succinate","Acta Crystallographica Section E","2001","57","2","o163","o165","10.1107/S160053680100085X","","","0.71069","MoKα","","0.284","0.067","","","","0.243","","","","","","1.04","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00","" "2200241","24.334","0.002","20.954","0.002","32.936","0.003","90","","104.706","0.002","90","","16244","3","90","2","90","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Bert*GaCl2.pyridine + 0.5C6H6","","","- C44 H57 Cl2 Ga N -","- C44 H57 Cl2 Ga N -","- C704 H912 Cl32 Ga16 N16 -","16","4","YA6002","Twamley, Brendan; Power, Philip P.","A donor‒acceptor adduct: sterically encumbered terphenyl dichloro[2,6-bis(2,4,6-triisopropylphenyl)phenyl]dichloro(pyridine)gallium benzene hemisolvate","Acta Crystallographica Section E","2001","57","2","m88","m91","10.1107/S1600536801001787","","","0.71073","MoKα","","0.189","0.078","","","","0.228","","","","","","1.13","","","","has coordinates","176435","2020-10-21","18:00:00","" "2200242","11.5695","0.001","8.568","0.003","12.976","0.002","81.58","0.02","104.804","0.01","96.85","0.02","1225.7","0.5","293","2","293","2","","","","","","","","7","P -1","-P 1","2","[Na(DB18C6)]~2~[Pd(SCN)~4~]","bis[(dibenzo-18-crown-6)sodium] palladium(II)tetrathiocyanate","","- C44 H48 N4 Na2 O12 Pd S4 -","- C44 H48 N4 Na2 O12 Pd S4 -","- C44 H48 N4 Na2 O12 Pd S4 -","1","0.5","YA6003","Yong, Wei; Dou, Jian-Min; Zhu, De-Zhong; Liu, Ying; Li, Xue; Zheng, Pei-Ju; bis[(dibenzo-18-crown-6)sodium] palladium(II)tetrathiocyanate","Cation‒π interactions in [Na(dibenzo-18-crown-6)]~2~[Pd(SCN)~4~]","Acta Crystallographica Section E","2001","57","3","m127","m129","10.1107/S1600536801001416","","","0.71073","MoKα","","0.061","0.028","","","","0.08","","","","","","1","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00","" "2200243","5.729","0.001","10.079","0.002","19.622","0.004","90","","90","","90","","1133","0.4","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","(1R,5R,8S)-8-benzyloxy-2,6-dioxabicyclo[3.2.1]octane-3-one","","- C13 H14 O4 -","- C13 H14 O4 -","- C52 H56 O16 -","4","1","YA6004","Koman, Marian; Babjak Matej; Gracza Tibor; Glowiak Tadeusz","Absolute configuration of the newly formed asymmetric centre in (1R,5R,8S)-8-benzyloxy-2,6-dioxabicyclo[3.2.1]octan-3-one","Acta Crystallographica Section E","2001","57","4","o360","o361","10.1107/S1600536801004196","","","1.5418","CuKα","","0.043","0.033","","0.091","","0.088","","","1.09","","","1.13","","","","has coordinates","201973","2020-10-21","18:00:00","" "2200244","11.8068","0.0004","23.3389","0.0009","12.365","0.0005","90","","111.537","0.001","90","","3169.4","0.2","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","trans-Chloro(methyl)bis(triphenylphosphine)palladium(II)","","- C37 H33 Cl P2 Pd -","- C37 H33 Cl P2 Pd -","- C148 H132 Cl4 P8 Pd4 -","4","1","YA6005","Otto, Stefanus","trans-Chloro(methyl)bis(triphenylphosphine)palladium(II)","Acta Crystallographica Section E","2001","57","2","m75","m77","10.1107/S1600536801000848","","","0.71073","MoKα","","0.121","0.038","","","","0.071","","","","","","0.85","","","","has coordinates","176774","2020-10-21","18:00:00","" "2200245","5.126","0.0002","8.565","0.0004","18.754","0.0009","90","","91.996","0.003","90","","822.88","0.06","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","(S)-O-Succinimidyl N-[2-(tert-butoxycarbonylamino)propyl]carbamate","","- C13 H21 N3 O6 -","- C13 H21 N3 O6 -","- C26 H42 N6 O12 -","2","1","YA6006","Menschise, Valeria; Didierjean, Claude; Semetey, Vincent; Guichard, Gilles; Briand, Jean-Paul; Aubry, Andre","(S)-O-Succinimidyl N-[2-(tert-butoxycarbonylamino)propyl]carbamate","Acta Crystallographica Section E","2001","57","3","o222","o224","10.1107/S1600536801002410","","","0.7107","MoKα","","0.053","0.037","","","","0.097","","","","","","1.03","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00","" "2200246","19.7328","0.0009","9.1088","0.0004","13.3636","0.0006","90","","117.884","0.001","90","","2123.12","0.17","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","poly[[diaquacadmium(II)]-μ^3^-(1-carboxybenzene-3,5-dicarboxylato- O^1^:O^3^,O^3'^:O^5^,O^5'^)]","","- C9 H8 Cd O8 -","- C9 H8 Cd O8 -","- C72 H64 Cd8 O64 -","8","1","YA6007","Skakle, J. M. S.; Foreman, M. R. St J.; Plater, M. J.; Griffin, C.","Poly[[diaquacadmium(II)]-μ^3^-(1-carboxybenzene-3,5-dicarboxylato)]","Acta Crystallographica Section E","2001","57","2","m85","m87","10.1107/S160053680100188X","","","0.71073","MoKα","","0.036","0.028","","","","0.071","","","","","","0.97","","","","has coordinates","176774","2020-10-21","18:00:00","" "2200247","7.6119","0.0005","8.846","0.0004","15.611","0.001","90","","101.321","0.005","90","","1030.71","0.11","293","","293","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","N-ethyldithiophthalimide","","- C10 H9 N S2 -","- C10 H9 N S2 -","- C40 H36 N4 S8 -","4","1","YA6008","Meden, Anton; Huskić, Miroslav; Bele, Marjan","N-Ethyldithiophthalimide, the first structure of a dithiophthalimide derivative","Acta Crystallographica Section E","2001","57","4","o303","o304","10.1107/S1600536801003828","","","0.71073","MoKα","","0.062","0.045","","0.055","","0.048","","","0.595","","","0.9","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00","" "2200248","14.2145","0.001","7.7681","0.0005","10.3928","0.0006","90","","101.98","0.005","90","","1122.58","0.13","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","3-Phenylpyrrolo[2,3-b]tropone","","- C15 H11 N O -","- C15 H11 N O -","- C60 H44 N4 O4 -","4","1","YA6009","Kubo, Kanji; Tsujimoto, Teppei; Mori, Akira","3-Phenylpyrrolo[2,3-b]tropone","Acta Crystallographica Section E","2001","57","3","o225","o227","10.1107/S1600536801002021","","","0.71073","MoKα","","0.074","0.042","","","","0.116","","","","","","1.03","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00","" "2200249","24.698","0.004","7.106","0.001","18.538","0.002","90","","99.59","0.01","90","","3208","0.8","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","[2(Fopygu.2HCl)][trans-Ni(H2O)4Cl2]*4H2O","Bis(2-pyridiniomethyleneaminoguanidinium) trans-tetraaquadichloronickel(II) dichloride tetrahydrate","","- C14 H38 Cl6 N10 Ni O8 -","- C14 H38 Cl6 N10 Ni O8 -","- C56 H152 Cl24 N40 Ni4 O32 -","4","0.5","YA6010","Valdés-Martínez, Jesús; Alstrum-Acevedo, James H.; Toscano, Rubén A.; Espinosa-Pérez, Georgina; Helfrich, Brian A.; West, Douglas X.","Bis(2-pyridiniomethyleneaminoguanidinium) trans-tetraaquadichloronickel(II) dichloride tetrahydrate","Acta Crystallographica Section E","2001","57","4","m137","m139","10.1107/S1600536801003725","","","0.71073","MoKα","","0.097","0.044","","","","0.142","","","","","","1.02","","","","has coordinates","176774","2020-10-21","18:00:00","" "2200250","10.754","0.0004","13.9616","0.0005","8.9464","0.0004","90","","104.946","0.0012","90","","1297.8","0.09","296","2","296","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","2-Amino-5-hexyloxytropone","","- C13 H19 N O2 -","- C13 H19 N O2 -","- C52 H76 N4 O8 -","4","1","YA6011","Yamamoto, Emi; Kubo, Kanji; Kato, Nobuo; Mori, Akira","2-Amino-5-hexyloxytropone","Acta Crystallographica Section E","2001","57","3","o279","o281","10.1107/S1600536801003294","","","0.71073","MoKα","","0.165","0.071","","","","0.244","","","","","","1.03","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00","" "2200251","5.0414","0.0004","18.878","0.002","8.6814","0.0011","90","","99.349","0.007","90","","815.25","0.15","180","2","180","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","Co(MTT)2(MeOH)2","Bis[3-hydroxy-4-methylthiazole-2(3H)-thiolato-S^2^,O]bis(methanol-O)- cobalt(II)","","- C10 H16 Co N2 O4 S4 -","- C10 H16 Co N2 O4 S4 -","- C20 H32 Co2 N4 O8 S8 -","2","0.5","YA6012","Bond, Andrew D.; Jones, William","Bis[3-hydroxy-4-methyl-2(3H)-thiazolethiolato-S^2^,O]bis(methanol-O)cobalt(II)","Acta Crystallographica Section E","2001","57","4","m140","m142","10.1107/S1600536801003737","","","0.71073","MoKα","","0.054","0.034","","","","0.078","","","","","","1.01","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00","" "2200252","15.4466","0.0007","16.6228","0.0008","13.5016","0.0006","90","","90","","90","","3466.7","0.3","297","2","297","2","","","","","","","","4","P c a b","-P 2bc 2ac","61","tris(acetylacetonato)-vanadium(III) (alpha form)","Tris(2,4-pentanedionato-O,O')-vanadium(III) (alpha form)","","- C15 H21 O6 V -","- C15 H21 O6 V -","- C120 H168 O48 V8 -","8","1","YA6013","Filgueiras, Carlos A. L.; Horn Jr, Adolfo; Howie, R. Alan; Skakle, Janet M. S.; Wardell, James L.","α-Form of tris(2,4-pentanedionato-O,O')vanadium(III), re-refinement against new intensity data","Acta Crystallographica Section E","2001","57","4","m157","m158","10.1107/S1600536801004391","","","0.71073","MoKα","","0.126","0.044","","","","0.139","","","","","","0.94","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00","" "2200253","16.138","0.0013","7.2682","0.0006","18.0257","0.0015","90","","104.344","0.002","90","","2048.4","0.3","298","2","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2,3-bis(2-pyridinio)-5,8-dimethoxyquinoxaline dinitrate","","- C20 H18 N6 O8 -","- C20 H18 N6 O8 -","- C80 H72 N24 O32 -","4","1","YA6015","He Liu; Miao Du; Ya-Mei Guo; Xian-He Bu","2,3-Bis(2-pyridinio)-5,8-dimethoxyquinoxaline dinitrate","Acta Crystallographica Section E","2001","57","4","o372","o374","10.1107/S1600536801004834","","","0.71073","MoKα","","","0.042","","","","0.11","","","","","","0.97","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00","" "2200254","8.927","0.001","10.2311","0.0009","9.776","0.002","90","","106.04","0.02","90","","858.1","0.2","173","","173","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C11 H10 O2 -","- C11 H10 O2 -","- C44 H40 O8 -","4","1","YA6016","Avery, Thomas D.; Taylor, Dennis K.; Tiekink, Edward R. T.","(±)-(3aR,4R,4aS)-4-Phenyl-3,3a,4,4a-tetrahydro-1H-cyclopropa[c]furan-1-one","Acta Crystallographica Section E","2001","57","4","o375","o376","10.1107/S1600536801004998","","","0.71073","MoKα","","0.088","0.039","","","","0.144","","","","","","0.93","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00","" "2200255","10.838","0.004","10.838","0.004","8.41","0.003","90","","90","","120","","855.5","0.5","150","2","150","2","","","","","","","","3","P 63 m c","P 6c -2c","186","barium oxide iodide","","","- Ba4 I6 O -","- Ba4 I6 O -","- Ba8 I12 O2 -","2","0.166667","BR6008","Marten G. Barker; Francesconi, M. Grazia; Claire Wilson","Barium oxide iodide","Acta Crystallographica Section E","2001","57","6","i41","i43","10.1107/S1600536801006614","","","0.71069","MoKα","","0.0245","0.0223","","","","0.0506","","","","","","1.086","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00","" "2200256","10.747","0.001","10.747","0.001","7.8678","0.0009","90","","90","","120","","787","0.3","150","2","150","2","","","","","","","","3","P 63 m c","P 6c -2c","186","strontium oxide iodide","","","- I6 O Sr4 -","- I6 O Sr4 -","- I12 O2 Sr8 -","2","0.166667","","Barker, Marten G.; Francesconi, M. Grazia; Shutt, Thomas H.; Wilson, Claire","Strontium oxide iodide","Acta Crystallographica, Section E: Structure Reports Online","2001","57","6","i44","i45","10.1107/s1600536801006626","","","","","","","","","","","","","","","","","","","","","has coordinates","210325","2020-10-21","18:00:00","" "2200257","9.338","0.0002","9.338","0.0002","12.817","0.0003","90","","90","","120","","967.89","0.04","293","2","293","2","","","","","","","","4","P -3 c 1","-P 3 2""c","165","","","","- C3 Na4 O11 U -","- C3 Na4 O11 U -","- C12 Na16 O44 U4 -","4","0.333333","","Císařová, Ivana; Skála, Roman; Ondruš, Petr; Drábek, Milan","Trigonal Na~4~[UO~2~(CO~3~)~3~]","Acta Crystallographica, Section E","2001","57","","i32","i34","10.1107/S1600536801005992","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00","" "2200258","26.1127","0.0018","10.1535","0.0006","14.6165","0.0009","90","","92.367","0.007","90","","3872","0.4","293","2","","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C32 H28 Ba Cr2 N4 O22 -","- C32 H28 Ba Cr2 N4 O22 -","- C128 H112 Ba4 Cr8 N16 O88 -","4","0.5","BR6013","Larsson, Krister","Infinite chain of [Ba{Cr(ox)~2~(phen)}~2~]~n~","Acta Crystallographica Section E","2001","57","5","m195","m197","10.1107/S1600536801005931","","","0.71073","MoKα","","","0.044","","","","0.1254","","","","","","1.005","","","","has coordinates,has Fobs","194538","2020-10-21","18:00:00","" "2200259","7.4116","0.0004","7.6542","0.0003","9.4486","0.0006","90","","112.194","0.005","90","","496.3","0.05","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- Ni3 O14 P4 Sr -","- Ni3 O14 P4 Sr -","- Ni6 O28 P8 Sr2 -","2","0.5","","Bolte, Michael","SrNi~3~(P~2~O~7~)~2~","Acta Crystallographica, Section E","2001","57","","i30","i31","10.1107/S1600536801005700","","","","","","","","","","","","","","","","","","","","","has coordinates","176774","2020-10-21","18:00:00","" "2200260","6.8","0.0007","8.6443","0.0008","8.9244","0.0009","84.512","0.01","79.866","0.009","77.834","0.009","503.87","0.09","291","1","291","1","","","","","","","","6","P -1","-P 1","2","","Diaquadichloride-Bis(2,4'-Bipyridyl) Manganese(II)","","- C20 H20 Cl2 Mn N4 O2 -","- C20 H20 Cl2 Mn N4 O2 -","- C20 H20 Cl2 Mn N4 O2 -","1","0.5","BR6016","Kruszynski, Rafal; Bartczak, Tadeusz J.; Adamczyk, Anna; Czakis-Sulikowska, Danuta; Kałużna, Joanna; .","Diaquabis(2,4'-bipyridyl-N')dichloromanganese(II)","Acta Crystallographica Section E","2001","57","5","m183","m185","10.1107/S1600536801005840","","","0.71073","MoKα","","0.0625","0.0616","","","","0.1627","","","","","","1.185","","","","has coordinates","176774","2020-10-21","18:00:00","" "2200261","6.1121","0.0005","6.1121","0.0005","11.42","0.0014","90","","90","","120","","369.47","0.06","293","","293","2","","","","","","","","3","P 63 c m","P 6c -2","185","","","","- Er Mn O3 -","- Er Mn O3 -","- Er6 Mn6 O18 -","6","0.5","","Aken, Bas B. van; Meetsma, Auke; Palstra, Thomas T. M.","Hexagonal ErMnO~3~","Acta Crystallographica, Section E","2001","57","","i38","i40","10.1107/S160053680100811X","","","","","","","","","","","","","","","","","","","","","has coordinates","282068","2023-03-26","10:12:33","" "2200262","5.101","0.001","20.098","0.004","10.461","0.002","90","","90.31","0.03","90","","1072.4","0.4","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Methyl (4-formyl-2-methoxycarbonyl-1-pyrrolyl)acetate","","- C10 H11 N O5 -","- C10 H11 N O5 -","- C40 H44 N4 O20 -","4","1","BT6023","Ján Lokaj; Viktor Kettmann; Viktor Milata; Jarmila Štetinová; Ognyan Petrov","Methyl (4-formyl-2-methoxycarbonylpyrrol-1-yl)acetate","Acta Crystallographica Section E","2001","57","5","o404","o405","10.1107/S1600536801005645","","","0.71073","MoKα","","0.092","0.0581","","0.1184","","0.1057","","","","","","1.035","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00","" "2200263","8.728","0.003","12.087","0.004","8.672","0.003","108.22","0.03","113.43","0.02","91.24","0.03","786.1","0.5","296","2","296","2","","","","","","","","5","P -1","-P 1","2","dioxypyrido[2,3-d]pyrimidine","7-(4-bromophenyl)-5-cyanomethyl-1,3-dimethyl-2,4-dioxypyrido[2,3-d]pyrimidine","","- C17 H13 Br N4 O2 -","- C17 H13 Br N4 O2 -","- C34 H26 Br2 N8 O4 -","2","1","BT6027","Sarkhel, Sanjay; Srivastava, Prativa; Saxena, Abhishek S.; Ram, Vishnu J.; Prasad Onkar; Shiro, Motoo; Maulik, Prakas R.","7-(4-Bromophenyl)-5-cyanomethyl-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione","Acta Crystallographica Section E","2001","57","5","o408","o410","10.1107/S1600536801004986","","","0.71073","MoKα","","0.099","0.0426","","0.1565","","0.12","","","1.026","","","1.076","","","","has coordinates","201973","2020-10-21","18:00:00","" "2200264","15.061","0.005","6.2184","0.0019","13.908","0.004","90","","114.398","0.005","90","","1186.2","0.6","298","2","","","","","","","","","","3","P 1 2/c 1","-P 2yc","13","","2,3,7,8-Tetrakis(2-pyridyl)pyrazino-[2,3-g]quinoxaline","","- C30 H18 N8 -","- C30 H18 N8 -","- C60 H36 N16 -","2","0.5","BT6028","Fang, Ya-Yin; Guo, Ya-Mei; Du, Miao; Liu, He; Leng, Xue-Bing; Zhang, Ruo-Hua","2,3,7,8-Tetrakis(2-pyridyl)pyrazino[2,3-g]quinoxaline","Acta Crystallographica Section E","2001","57","5","o380","o382","10.1107/S1600536801005153","","","0.71073","MoKα","","","0.0406","","","","0.1036","","","","","","0.935","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00","" "2200265","14.125","0.003","14.118","0.003","10.719","0.002","90","","90","","90","","2137.5","0.8","293","2","293","2","","","","","","","","5","P n a 21","P 2c -2n","33","","9-(4-Chlorophenyl)-3,3,6,6-tetramethyl-1,2,3,4,5,6,7,8,9,10-decahydroacridine- 1,8-dione","","- C23 H26 Cl N O2 -","- C23 H26 Cl N O2 -","- C92 H104 Cl4 N4 O8 -","4","1","BT6029","Tu, Shu-Jiang; Deng, Xu; Du, Miao; Fang, Ya-Yin; Guo, Ya-Mei; Liu, Xiao-Hong","9-(4-Chlorophenyl)-3,3,6,6-tetramethyl-1,2,3,4,5,6,7,8,9,10-decahydroacridine-1,8-dione","Acta Crystallographica Section E","2001","57","5","o383","o385","10.1107/S1600536801005189","","","0.71073","MoKα","","0.092","0.0507","","","","0.2076","","","","","","1.034","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00","" "2200266","6.4808","0.0007","9.9636","0.0009","12.2753","0.0011","91.6","0.009","101.048","0.01","106.114","0.012","744.62","0.14","291","1","291","1","","","","","","","","5","P -1","-P 1","2","5-morpholinemethyl-3-(4-fluoridebenzylideamin)-2-oxazolidinone","4-{3-[(4-Fluorobenzylidene)amino]-2-oxo-1,3-oxazolidin-5-ylmethyl}morpholine","","- C15 H18 F N3 O3 -","- C15 H18 F N3 O3 -","- C30 H36 F2 N6 O6 -","2","1","BT6030","Kruszynski, Rafal; Bartczak, Tadeusz J.; Chilmonczyk, Zdzislaw; Cybulski, Jacek","4-{3-[(4-Fluorobenzylidene)amino]-2-oxo-1,3-oxazolidin-5-ylmethyl}morpholine","Acta Crystallographica Section E","2001","57","5","o386","o388","10.1107/S1600536801005487","","","0.71073","MoKα","","0.0956","0.0752","","","","0.177","","","","","","1.202","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00","" "2200267","8.7369","0.0008","15.741","0.003","13.3967","0.0012","90","","103.833","0.008","90","","1789","0.4","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C12 H16 N4 O4 S4 -","- C12 H16 N4 O4 S4 -","- C48 H64 N16 O16 S16 -","4","0.5","BT6031","Cho, Nam Sook; Hong, Soon Il; Kim, Jin-Gyu; Suh, Il-Hwan","1,5-[5,5'-(3-Oxa-1,5-pentylenedithio)bis(2,3-dihydro-2-oxo-1,3,4-thiadiazol-3-yl)]-3-oxapentane","Acta Crystallographica Section E","2001","57","5","o434","o435","10.1107/S1600536801006250","","","0.71069","MoKα","","0.0521","0.0351","","","","0.0885","","","","","","1.018","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00","" "2200268","10.7902","0.0006","11.7031","0.0006","16.1857","0.0009","90","","90","","90","","2043.91","0.19","120","","120","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","bis(2,2'-bipyridine-N,N')-dicyano-iron(III) nitrate","","- C22 H16 Fe N7 O3 -","- C22 H16 Fe N7 O3 -","- C88 H64 Fe4 N28 O12 -","4","1","BT6032","Damgaard Poulsen, Rasmus; Hazell, Alan","Bis(2,2'-bipyridine-N,N')dicyanoiron(III) nitrate","Acta Crystallographica Section E","2001","57","5","m186","m187","10.1107/S1600536801005918","","","0.71073","MoKα","","","0.031","","","","0.038","","","","","","1.203","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00","" "2200269","9.274","0.002","9.641","0.001","20.746","0.003","90","","94.17","0.02","90","","1850","0.5","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","N,N'-Diethyl-N,N'-diphenyl-3-oxapentanediamide","","- C20 H24 N2 O3 -","- C20 H24 N2 O3 -","- C80 H96 N8 O12 -","4","1","BT6033","Zhang, Yan-Ling; Wang, Ya-Wen; Li, Yi-Zhi; Liu, Wei-Sheng; Yu, Kai-Bei; Wang, Liu-Fang","N,N'-Diethyl-N,N'-diphenyl-3-oxapentanediamide","Acta Crystallographica Section E","2001","57","6","o483","o484","10.1107/S1600536801006274","","","0.71073","MoKα","","0.0569","0.0452","","","","0.089","","","","","","1.01","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00","" "2200270","7.1501","0.0014","13.185","0.003","8.4979","0.0017","90","","106.45","0.03","90","","768.3","0.3","150","2","150","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","RhCl~2~(Cp^*^)(pyridine)","Dichloro(η^5^-pentamethylcyclopentadienyl)(pyridine-N)rhodium","","- C15 H20 Cl2 N Rh -","- C15 H20 Cl2 N Rh -","- C30 H40 Cl4 N2 Rh2 -","2","0.5","BT6035","Therrien, Bruno; Burrell, Anthony K.","Dichloro(η^5^-pentamethylcyclopentadienyl)(pyridine-N)rhodium","Acta Crystallographica Section E","2001","57","6","m259","m260","10.1107/S160053680100736X","","","0.71073","MoKα","","0.0179","0.0165","","","","0.0456","","","","","","1.111","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00","" "2200271","9.139","0.002","11.083","0.002","16.411","0.003","90","","95.838","0.002","90","","1653.6","0.6","298","2","298","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","N,N-dimethylphosphoramidic acid bis(4-nitrophenyl) ester","","- C14 H14 N3 O7 P -","- C14 H14 N3 O7 P -","- C56 H56 N12 O28 P4 -","4","1","BT6036","Gholivand, Khodayar; Tadjarodi, Azadeh; Taeb, Abbas; Garivani, Gholamhossein; Ng, Seik Weng","Bis(4-nitrophenyl) N,N-dimethylphosphoramidate","Acta Crystallographica Section E","2001","57","5","o472","o473","10.1107/S1600536801006766","","","0.71073","MoKα","","0.0989","0.0456","","","","0.1344","","","","","","0.922","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00","" "2200272","7.55","0.002","13.66","0.003","12.85","0.003","90","","102.9","0.03","90","","1291.8","0.6","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Triaquatris[tetraoxorhenio(VII)]neodymium(III)","","- H6 Nd O15 Re3 -","- H6 Nd O15 Re3 -","- H24 Nd4 O60 Re12 -","4","1","BT6037","Guido J. Reiß","Triaquatris[tetraoxorhenato(VII)]neodymium(III)","Acta Crystallographica Section E","2001","57","5","i35","i37","10.1107/S1600536801006869","","","0.71073","MoKα","","0.0293","0.0238","","","","0.0546","","","","","","1.016","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00","" "2200273","7.5693","0.0007","9.562","0.0009","11.3908","0.0011","79.203","0.002","76.735","0.002","77.514","0.002","775.19","0.13","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","4,6-Dimethyl-2-(o-tolyliminomethyl)quinoline","","- C19 H18 N2 -","- C19 H18 N2 -","- C38 H36 N4 -","2","1","BT6038","Mehmet Akkurt; Sema Öztürk; Feray Aydog̃an","4,6-Dimethyl-2-(o-tolyliminomethyl)quinoline","Acta Crystallographica Section E","2001","57","5","o454","o455","10.1107/S1600536801006705","","","0.71073","MoKα","","0.1446","0.0731","","0.2363","0.1868","","","","1.018","1.162","1.162","","","","","has coordinates","201973","2020-10-21","18:00:00","" "2200274","9.1639","0.0002","9.973","0.0002","11.1913","0.0002","90","","90","","90","","1022.79","0.04","293","2","293","2","","","","","","","","3","A b a 2","A 2 -2ab","41","","","","- Mo7.7 Nd O14 -","- Mo7.698 Nd O14 -","- Mo30.792 Nd4 O56 -","4","","BT6039","Barrier, N.; Gougeon, P.","NdMo~7.7~O~14~ containing Mo~6~, Mo~7~ and Mo~8~ clusters","Acta Crystallographica Section E","2001","57","6","i46","i48","10.1107/S1600536801007103","","","0.7107","MoKα","","0.0391","0.0355","","","","0.084","","","","","","1.107","","","","has coordinates","176435","2020-10-21","18:00:00","" "2200275","14.1406","0.0001","15.2215","0.0001","17.8879","0.0002","90","","90","","90","","3850.21","0.06","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","α,α-trehalose octaacetate ethyl acetate solvate","2,3,4,6-tetra-O-acetyl-1-O-(2,3,4,6-tetra-O-acetyl-α-D-glucopyranosyl) -α-D-glucopyranose ethyl acetate solvate","","- C32 H46 O21 -","- C32 H46 O21 -","- C128 H184 O84 -","4","1","BT6040","Thomas C. Baddeley; Simon M. Clow; Philip J. Cox; Anna M. McLaughlin; James L. Wardell","α,α-Trehalose octaacetate ethyl acetate solvate","Acta Crystallographica Section E","2001","57","5","o456","o457","10.1107/S1600536801006857","","","0.71073","MoKα","","0.0787","0.0396","","","","0.0958","","","","","","1.001","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00","" "2200276","12.011","0.003","20.234","0.004","8.625","0.002","90","","90.35","0.01","90","","2096.1","0.8","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","trans-Diiodobis(triphenylphosphine)palladium(II) bis(tetrahydrofuran) solvate","","- C44 H46 I2 O2 P2 Pd -","- C44 H46 I2 O2 P2 Pd -","- C88 H92 I4 O4 P4 Pd2 -","2","0.5","BT6043","Batsanov, Andrei S.; Howard, Judith A. K.; Robertson, Graham S.; Kilner, Melvin","trans-Diiodobis(triphenylphosphine)palladium(II) bis(tetrahydrofuran) solvate","Acta Crystallographica Section E","2001","57","6","m233","m234","10.1107/S1600536801007541","","","0.71073","MoKα","","0.0518","0.0361","","","","0.073","","","","","","1.14","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00","" "2200277","9.465","0.001","19.821","0.001","14.208","0.001","90","","105.51","0.01","90","","2568.4","0.4","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","[1,2-bis(diphenylphosphino)ethane-P,P]diiodopalladium(II)","","- C26 H24 I2 P2 Pd -","- C26 H24 I2 P2 Pd -","- C104 H96 I8 P8 Pd4 -","4","1","BT6044","Batsanov, Andrei S.; Howard, Judith A. K.; Robertson, Graham S.; Kilner, Melvin","Solvent-free [1,2-bis(diphenylphosphino)ethane-P,P']diiodopalladium(II)","Acta Crystallographica Section E","2001","57","6","m235","m236","10.1107/S1600536801007589","","","0.71073","MoKα","","0.0617","0.0405","","","","0.0803","","","","","","1.157","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00","" "2200278","10.294","0.006","12.102","0.005","12.23","0.006","69.86","0.02","86.58","0.02","66.39","0.02","1305.3","1.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","Bis(μ-diphenylphosphido)bis{trans-tricarbonylbis[1-(4- ethoxybutoxy)pentylidene]rhenium}","","- C52 H64 O10 P2 Re2 -","- C52 H64 O10 P2 Re2 -","- C52 H64 O10 P2 Re2 -","1","0.5","BT6046","Flörke, Ulrich; Petters, Dina","Bis(μ-diphenylphosphido)bis{trans-tricarbonylbis[1-(4-ethoxybutoxy)pentylidene]rhenium}","Acta Crystallographica Section E","2001","57","6","m237","m238","10.1107/S1600536801007826","","","0.71073","MoKα","","0.0367","0.0281","","","","0.0656","","","","","","1.04","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00","" "2200279","14.1286","0.0012","5.8874","0.0007","8.8335","0.0009","90","","94.321","0.008","90","","732.69","0.13","291","2","291","1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(3-Methylbut-2-enyl)ammonium chloride","","- C5 H12 Cl N -","- C5 H12 Cl N -","- C20 H48 Cl4 N4 -","4","1","BT6048","Kruszynski, Rafal; Czestkowski Wojciech; .","(3-Methylbut-2-enyl)ammonium chloride","Acta Crystallographica Section E","2001","57","6","o516","o518","10.1107/S1600536801008108","","","0.71073","MoKα","","0.0495","0.049","","","","0.1386","","","","","","1.183","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00","" "2200280","9.9015","0.0012","9.9015","0.0012","13.4199","0.0016","90","","90","","90","","1315.7","0.3","298","","293","2","","","","","","","","6","P -4 21 c","P -4 2n","114","","propane-1,3-diammonium bis(zinc phosphate)","","- C1.875 H7.5 N1.25 O5 P1.25 Zn1.25 -","- O4 P Zn -","- O40 P10 Zn10 -","10","1.25","BT6049","Harrison, William T. A.","[H~3~N(CH~2~)~3~NH~3~]~0.5~[ZnPO~4~], an organically templated zincophosphate analogue of the aluminosilicate zeolite edingtonite","Acta Crystallographica Section E","2001","57","6","m248","m250","10.1107/S1600536801008327","","","0.71073","MoKα","","0.1","0.085","","","","0.222","","","","","","1.099","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00","" "2200281","9.4224","0.0002","5.0947","0.0001","21.551","0.0007","90","","94.895","0.0009","90","","1030.77","0.04","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","S-benzyl-L-cysteine","","- C10 H13 N O2 S -","- C10 H13 N O2 S -","- C40 H52 N4 O8 S4 -","4","2","BT6050","Troup, Susan D.; Ward, Mark F.; Jaspars, Marcel; Harrison, William T. A.","S-Benzyl-L-cysteine","Acta Crystallographica Section E","2001","57","6","o535","o537","10.1107/S1600536801008340","","","0.71073","MoKα","","0.095","0.062","","","","0.16","","","","","","0.994","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00","" "2200282","11.698","0.002","11.698","0.002","19.643","0.015","90","","90","","90","","2688","2","293","","","","","","","","","","","4","P 41","P 4w","76","Methyl 1-{N-[N-(benzyloxycarbonyl)-α-aminoisobutyryl]-α-aminoisobutyryl}- 4-hydroxypyrrolidine-2-carboxylate ethanol solvate","","","- C24 H37 N3 O8 -","- C24 H37 N3 O8 -","- C96 H148 N12 O32 -","4","1","CF6053","Geßmann, Renate; Brückner, Hans; Kokkinidis, Michael","Tripeptide Z‒Aib‒Aib‒Hyp‒OMe","Acta Crystallographica Section E","2001","57","6","o492","o494","10.1107/S1600536801007371","","","1.54178","CuKα","","0.0985","0.0777","","","","0.211","","","","","","1.082","","","","has coordinates,has disorder,has Fobs","176432","2020-10-21","18:00:00","" "2200283","9.809","0.001","13.978","0.005","18.73","0.002","90","","90","","90","","2568.1","1","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C25 H37 N O7 -","- C25 H37 N O7 -","- C100 H148 N4 O28 -","4","1","CF6056","Coutrot, Frédéric; Grison, Claude; Coutrot, Philippe; Toupet, Loic","Isopropyl 6,7-dideoxy-1,2:3,4-di-O-isopropylidene-7-{[(S)-1-phenylethyl]amino}-L-glycero-α-D-galacto-octopyranuronate","Acta Crystallographica Section E","2001","57","6","o519","o520","10.1107/S1600536801006481","","","0.71069","MoKα","","0.1313","0.047","","","","0.1252","","","","","","1.009","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00","" "2200284","16.0658","0.0009","3.9597","0.0002","21.473","0.001","90","","90.619","0.006","90","","1365.94","0.12","293","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2-[(4-Carboxyphenyl)amino]-4-chlorobenzoic acid monohydrate","","- C14 H12 Cl N O5 -","- C14 H12 Cl N O5 -","- C56 H48 Cl4 N4 O20 -","4","1","CF6058","Novoa de Armas, Héctor; Peeters, Oswald M.; Blaton, Norbert M.; De Ranter, Camiel J.; Xuárez Marill, Lisbet","2-[(4-Carboxyphenyl)amino]-4-chlorobenzoic acid monohydrate","Acta Crystallographica Section E","2001","57","6","o542","o543","10.1107/S160053680100650X","","","1.5418","CuKα","","0.0649","0.05","","0.1527","","0.1527","","","1.126","","","1.126","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00","" "2200285","10.516","0.001","11.381","0.002","14.558","0.003","87.23","0.02","79.73","0.01","88.54","0.01","1712.2","0.5","293","2","","","","","","","","","","7","P -1","-P 1","2","","","","- C34 H32 Cu2 I2 N4 O4 Pb -","- C35 H34 Cu2 I2 N4 O4 Pb -","- C70 H68 Cu4 I4 N8 O8 Pb2 -","2","1","CF6059","Sarı, Musa; Durmus̨, Sefa; Atakol, Orhan; Svaboda, Ingrid; Fuess, Harmut","Bis[μ-N,N'-bis(salicylidene)-1,3-propanediaminecopper(II)]diiodolead(II)","Acta Crystallographica Section E","2001","57","5","m201","m203","10.1107/S1600536801006511","","","0.71073","MoKα","","","0.0403","","","","0.1004","","","","","","1.005","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00","" "2200286","14.578","0.003","12.009","0.002","15.849","0.003","90","","103.67","0.03","90","","2696","0.9","150","2","","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C29 H28 Cl2 Sb2 -","- C29 H28 Cl2 Sb2 -","- C116 H112 Cl8 Sb8 -","4","0.5","CF6060","Coles, Simon J.; Hursthouse, Michael B.; Joy, Jon S.; Paver, Michael A.","[2,2-Bis(chloromethyl)propylene]bis(diphenylstibine)","Acta Crystallographica Section E","2001","57","6","m261","m262","10.1107/S1600536801006523","","","0.71073","MoKα","","","0.0255","","","","0.0628","","","","","","1.065","","","","has coordinates,has Fobs","198632","2020-10-21","18:00:00","" "2200287","7.783","0.003","7.8653","0.001","25.61","0.003","90","","90","","90","","1567.7","0.7","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","2-(3-cyano-coumarin-4-yl)-1-(4-methylthiophenyl)ethene","4-[2-(4-Methylthiophenyl)ethenyl]-2-oxo-2H-1-benzopyran-3-carbonitrile","","- C19 H13 N O2 S -","- C19 H13 N O2 S -","- C76 H52 N4 O8 S4 -","4","1","CI6015","Vijayalakshmi, L.; Parthasarathi, V.; Varu, Bharat; Shah, Anamik","3-Cyano-4-[2-(4-methylthiophenyl)ethenyl]-2H-1-benzopyran-2-one","Acta Crystallographica Section E","2001","57","5","o436","o438","10.1107/S1600536801005852","","","1.5418","CuKα","","0.032","0.03","","","","0.086","","","","","","1.06","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00","" "2200288","20.212","0.01","11.111","0.008","19.362","0.014","90","","96.53","0.13","90","","4320","5","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C50 H38 N2 O4 Ru2 -","- C50 H38 N2 O4 Ru2 -","- C200 H152 N8 O16 Ru8 -","4","1","CI6017","García-Granda, Santiago; Pérez-Priede, Mónica; Vandermaelen, Juan Francisco; Cabeza, Javier A.","(tert-Butyl isocyanide)tetracarbonyl[N-(1,2,3,4-tetraphenylbutadienyl)benzophenone imine]diruthenium(I)","Acta Crystallographica Section E","2001","57","5","m174","m175","10.1107/S1600536801005207","","","0.71073","MoKα","","0.159","0.048","","","","0.142","","","","","","1.02","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00","" "2200289","6.8673","0.0002","12.8243","0.0003","20.613","0.0005","90","","94.52","0.001","90","","1809.71","0.08","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","(Z)-3-Acetonylidene-2,3-dihydro-1H-isoindolin-1-one","","- C11 H9 N O2 -","- C11 H9 N O2 -","- C88 H72 N8 O16 -","8","2","CI6019","Chowdhury, Krishna; Mukhopadhyay, Rupa; Mukherjee, Monika; Broder, Charlotte K.; Kundu, Nitya G.","(Z)-3-Acetonylidene-2,3-dihydro-1H-isoindolin-1-one","Acta Crystallographica Section E","2001","57","5","o421","o423","10.1107/S1600536801005864","","","0.71073","MoKα","","0.052","0.043","","","","0.121","","","","","","1.05","","","","has coordinates","201973","2020-10-21","18:00:00","" "2200290","9.077","0.001","11.065","0.001","17.106","0.001","90","","90","","90","","1718.1","0.3","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","N-{[2-carboxy-5-oxopyrrolidin-1-yl](p-tolyl)methyl}pyroglutamic acid","","- C18 H20 N2 O6 -","- C18 H20 N2 O6 -","- C72 H80 N8 O24 -","4","1","CI6021","Camus, Fabrice; Norberg, Bernadette; Bourry, Anne; Rigo, Benoît; Durant, François","1,1'-(4-Methylbenzylidene)bis(5-oxopyrrolidine-2-carboxylic acid)","Acta Crystallographica Section E","2001","57","5","o439","o440","10.1107/S1600536801006493","","","1.54178","CuKα","","0.029","0.028","","","","0.076","","","","","","1.03","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00","" "2200291","11.0853","0.0009","8.1425","0.0007","8.453","0.0008","90","","90","","90","","762.99","0.12","173","2","173","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C6 H9 N O3 S -","- C6 H9 N O3 S -","- C24 H36 N4 O12 S4 -","4","1","CI6022","Bolte, Michael; Griesinger, Christian; Sakhaii, Peyman","Pyridinium methylsulfonate: a pseudosymmetric structure","Acta Crystallographica Section E","2001","57","5","o458","o460","10.1107/S1600536801006894","","","0.71073","MoKα","","0.04","0.037","","","","0.098","","","","","","1.1","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00","" "2200292","11.6466","0.0002","17.1438","0.0003","10.5361","0.0002","90","","95.603","0.001","90","","2093.66","0.07","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Trans-dichlorobis(3,5-dimethylpyrazole-N)bis(triphenylphosphine-P)- ruthenium(II)","","- C46 H44 Cl2 N4 P2 Ru -","- C46 H44 Cl2 N4 P2 Ru -","- C92 H88 Cl4 N8 P4 Ru2 -","2","0.5","CI6023","Suchada Chantrapromma; Hoong-Kun Fun; Ibrahim Abdul Razak; Qian-Feng Zhang; Xinquan Xin","trans-Dichlorobis(3,5-dimethylpyrazole-N)bis(triphenylphosphine-P)ruthenium(II)","Acta Crystallographica Section E","2001","57","5","m207","m208","10.1107/S1600536801006997","","","0.71073","MoKα","","0.055","0.039","","","","0.109","","","","","","0.99","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00","" "2200293","7.213","0.005","52.87","0.003","5.061","0.003","90","","90","","90","","1930","1.8","296.2","","","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C19 H40 O2 -","- C19 H40 O2 -","- C76 H160 O8 -","4","1","CI6025","Naotake Nakamura; Kenjiro Uno; Yoshihiro Ogawa","Nonadecane-1,19-diol","Acta Crystallographica Section E","2001","57","6","o485","o487","10.1107/S1600536801007176","","","1.5418","CuKα","","","0.04","","","","0.137","","","","","","1.42","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00","" "2200294","4.2261","0.0006","5.4283","0.0006","23.819","0.003","87.43","0.01","86.56","0.01","83.37","0.01","541.39","0.12","296.2","","","","","","","","","","","3","P -1","-P 1","2","","","","- C20 H42 S2 -","- C20 H42 S2 -","- C20 H42 S2 -","1","0.5","CI6026","Naotake Nakamura; Kenjiro Uno; Yoshihiro Ogawa","Icosane-1,20-dithiol","Acta Crystallographica Section E","2001","57","6","o505","o507","10.1107/S1600536801007188","","","1.5418","CuKα","","","0.057","","","","0.159","","","","","","1.769","","","","has coordinates","176774","2020-10-21","18:00:00","" "2200295","4.221","0.001","5.43","0.001","15.615","0.002","85.65","0.01","86.68","0.02","83.51","0.01","354.14","0.12","296.2","","","","","","","","","","","3","P -1","-P 1","2","","","","- C12 H26 S2 -","- C12 H26 S2 -","- C12 H26 S2 -","1","0.5","CI6027","Naotake Nakamura; Kenjiro Uno; Yoshihiro Ogawa","Dodecane-1,12-dithiol","Acta Crystallographica Section E","2001","57","6","o508","o510","10.1107/S160053680100719X","","","1.5418","CuKα","","","0.039","","","","0.138","","","","","","1.671","","","","has coordinates","176774","2020-10-21","18:00:00","" "2200296","16.56","0.005","20.69","0.01","9.453","0.002","90","","90","","90","","3239","2","173","","173","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C17 H22 O3 S -","- C17 H22 O3 S -","- C136 H176 O24 S8 -","8","1","CI6031","Ward, A. David; Ward, Virginia R.; Tiekink, Edward R. T.","3,5,5-Trimethyl-2-[2-(phenylsulfonyl)ethyl]-2-cyclohexen-1-one","Acta Crystallographica Section E","2001","57","6","o526","o527","10.1107/S1600536801008248","","","0.71069","MoKα","","0.119","0.04","","","","0.129","","","","","","1.01","","","","has coordinates","201973","2020-10-21","18:00:00","" "2200297","9.4231","0.0002","14.5514","0.0002","22.2014","0.0004","90","","94.56","0.001","90","","3034.6","0.09","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Bis(μ-diphenylthiophosphinito-S:P)bis[(η^5^-cyclopentadienyl)nickel(II)]","","- C34 H30 Ni2 P2 S2 -","- C34 H30 Ni2 P2 S2 -","- C136 H120 Ni8 P8 S8 -","4","1","CV6016","Hoong-Kun Fun; Suchada Chantrapromma; Ibrahim Abdul Razak; Qian-Feng Zhang; Xinquan Xin","Bis(μ-diphenylthiophosphinito-S:P)bis[(η^5^-cyclopentadienyl)nickel(II)]","Acta Crystallographica Section E","2001","57","5","m190","m191","10.1107/S1600536801005475","","","0.71073","MoKα","","0.0457","0.0357","","","","0.0917","","","","","","0.982","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00","" "2200298","13.332","0.003","13.791","0.003","7.44","0.002","90","","90","","90","","1367.9","0.6","200","2","200","2","","","","","","","","2","P 21 21 21","P 2ac 2ab","19","Dimethyldihydrofluoranthene","(6bR,10aS)-6b,10a-Dimethyl-10,10a-dihydro-9H-fluoranthene","","- C18 H20 -","- C18 H20 -","- C72 H80 -","4","1","CV6017","Parvez, Masood; Simion, Dan V.; Sorensen, Ted S.","(6bR,10aS)-6b,10a-Dimethyl-10,10a-dihydro-9H-fluoranthene","Acta Crystallographica Section E","2001","57","5","o441","o443","10.1107/S1600536801006572","","","0.71069","MoKα","","0.118","0.054","","","","0.214","","","","","","1.11","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00","" "2200299","13.495","0.002","10.2178","0.0018","15.154","0.003","90","","115.956","0.014","90","","1878.8","0.6","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","4,5,6,9-tetramethoxy-11-phenyl-10-oxa-11-aza-tricyclo[7.2.2.0 2,7] trideca-2(7),3,5,12-tetraen-8-one","","- C21 H21 N O6 -","- C21 H21 N O6 -","- C84 H84 N4 O24 -","4","1","CV6018","Russi, Silvia; Mombrú, Alvaro W.; Gamenara, Daniela; Dias, Eduardo; Heinzen, Horacio; Moyna, Patrick; Faccio, Ricardo; Suescun, Leopoldo; Mariezcurrena, Raúl A.","4,5,6,9-Tetramethoxy-11-phenyl-10-oxa-11-azatricyclo[7.2.2.0^2,7^]trideca-2(7),3,5,12-tetraen-8-one","Acta Crystallographica Section E","2001","57","5","o444","o446","10.1107/S1600536801006286","","","0.71069","MoKα","","0.099","0.043","","","","0.1448","","","","","","1.01","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00","" "2200300","9.3876","0.001","10.2213","0.0011","19.64","0.002","90","","103.161","0.002","90","","1835","0.3","293","2","","","","","","","","","","6","P 1 c 1","P -2yc","7","","Poly[[silver(I)-di-μ-1,5-bis(phenylthio)pentane] hexafluorophosphate]","","- C34 H40 Ag F6 P S4 -","- C34 H40 Ag F6 P S4 -","- C68 H80 Ag2 F12 P2 S8 -","2","1","CV6019","Chen, Wei; Du, Miao; Zhang, Ruo-Hua; Bu, Xian-He","Poly[[silver(I)-di-μ-1,5-bis(phenylthio)pentane] hexafluorophosphate]: a two-dimensional molecular-rectangle coordination ploymer","Acta Crystallographica Section E","2001","57","6","m213","m215","10.1107/S1600536801006560","","","0.71073","MoKα","","0.0418","0.034","","","","0.0892","","","","","","1.017","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00","" "2200301","14.1445","0.0014","6.2718","0.0004","22.34","0.002","90","","103.694","0.011","90","","1925.5","0.3","223","2","223","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H32 O2 Si -","- C19 H32 O2 Si -","- C76 H128 O8 Si4 -","4","1","CV6020","Marcel K. Eberle; Reinhart Keese; Helen Stoeckli-Evans","A bicyclo[3.3.0]octan-2-ylcyclopentanone","Acta Crystallographica Section E","2001","57","5","o461","o462","10.1107/S1600536801006808","","","0.71073","MoKα","","0.0544","0.0406","","","","0.1148","","","","","","1.052","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00","" "2200302","7.4845","0.0011","13.937","0.002","22.012","0.003","90","","90","","90","","2296.1","0.6","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","Ramipril","1-[2-(1-ethoxycarbonyl-3-phenylpropylamino)propionyl]octahydrocyclopenta[b]- pyrrole-2-carboxylic acid","","- C23 H32 N2 O5 -","- C23 H32 N2 O5 -","- C92 H128 N8 O20 -","4","1","CV6021","Nagel, Norbert; Schweitzer, Harald; Urbach, Hansjörg; Heyse, Winfried; Müller, Barbara; Berchtold, Harald","Ramipril","Acta Crystallographica Section E","2001","57","5","o463","o465","10.1107/S1600536801006948","","","0.71073","MoKα","","0.1558","0.0643","","","","0.0854","","","","","","0.918","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00","" "2200303","10.0994","0.0006","5.041","0.0002","9.532","0.0006","90","","90.37","0.005","90","","485.27","0.05","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C F3 Li O3 S -","- C F3 Li O3 S -","- C4 F12 Li4 O12 S4 -","4","1","CV6022","Bolte, Michael; Lerner, Hans-Wolfram","Lithium trifluoromethanesulfonate","Acta Crystallographica Section E","2001","57","6","m231","m232","10.1107/S1600536801007462","","","0.71073","MoKα","","0.0398","0.0292","","","","0.0782","","","","","","1.118","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00","" "2200304","9.407","0.002","23.121","0.004","11.604","0.002","90","","107.315","0.003","90","","2409.5","0.8","120","","120","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","(Carbonato-O,O')bis(1,2-ethanediamine-N,N')cobalt(III) nitrate monohydrate","","- C5 H18 Co N5 O7 -","- C5 H18 Co N5 O7 -","- C40 H144 Co8 N40 O56 -","8","2","CV6023","Alan Hazell; Josua Jepsen","(Carbonato-O,O')bis(1,2-ethanediamine-N,N')cobalt(III) nitrate monohydrate","Acta Crystallographica Section E","2001","57","6","m239","m241","10.1107/S1600536801007577","","","0.71073","MoKα","","","0.026","","","","0.032","","","","","","0.956","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00","" "2200305","10.909","0.003","18.502","0.007","13.092","0.004","90","","97.143","0.012","90","","2622","1.5","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","9-(4-Methyl-benzylidene)-4,8-diphenyl-6-p-tolyl-2-oxa- 3,7-diazaspiro[4.4]nona-3,7-dien-1-one","","- C33 H26 N2 O2 -","- C33 H26 N2 O2 -","- C132 H104 N8 O8 -","4","1","NA6057","Bruno, Giuseppe; Nicoló, Francesco; Rotondo, Archimede; Foti, Francesco; Risitano, Francesco; Grassi, Giovanni; Bilardo, Cristina","9-(4-Methylbenzylidene)-4,8-diphenyl-6-p-tolyl-2-oxa-3,7-diazaspiro[4.4]nona-3,7-dien-1-one","Acta Crystallographica Section E","2001","57","5","o396","o398","10.1107/S1600536801005608","","","0.71073","MoKα","","0.1629","0.0493","","","","0.126","","","","","","1.144","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00","" "2200306","9.127","0.002","10.45","0.003","14.632","0.003","99.172","0.019","101.131","0.017","101.239","0.018","1314.6","0.6","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","9-(2-Methoxy-benzylidene)-6-(2-methoxy-phenyl)-4,8-diphenyl-2-oxa- 3,7-diazaspiro[4.4]nona-3,7-dien-1-one","","- C33 H26 N2 O4 -","- C33 H26 N2 O4 -","- C66 H52 N4 O8 -","2","1","NA6058","Bruno, Giuseppe; Nicoló, Francesco; Rotondo, Archimede; Foti, Francesco; Risitano, Francesco; Grassi, Giovanni; Bilardo, Cristina","9-(2-Methoxybenzylidene)-6-(2-methoxyphenyl)-4,8-diphenyl-2-oxa-3,7-diazaspiro[4.4]nona-3,7-dien-1-one","Acta Crystallographica Section E","2001","57","5","o399","o401","10.1107/S160053680100561X","","","0.71073","MoKα","","0.1264","0.0414","","","","0.0972","","","","","","0.716","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00","" "2200307","7.317","0.001","17.787","0.004","12.422","0.002","90","","98.7","0.03","90","","1598.1","0.5","294","2","294","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","7a,13b-ethylenedioxy-1-hydroxy-7a,13b-dihydrodibenzo[a,kl]xanthene","","- C22 H16 O4 -","- C22 H16 O4 -","- C88 H64 O16 -","4","1","NA6063","Cai, Yue-Peng; Tan, Duan-Min; Su, Cheng-Yong; Liao, Miao-Fen; Kang, Bei-Sheng; Xu, Zun-Le","7a,13b-Ethylenedioxy-1-hydroxy-7a,13b-dihydrodibenzo[a,kl]xanthene","Acta Crystallographica Section E","2001","57","6","o528","o530","10.1107/S1600536801007772","","","0.71073","MoKα","","0.0667","0.0452","","","","0.1358","","","","","","1.009","","","","has coordinates","201973","2020-10-21","18:00:00","" "2200308","6.5392","0.0002","7.6077","0.0001","20.3127","0.0005","90","","90","","90","","1010.52","0.04","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","4-[(3-Pyridylamino)methyl]phenol","","- C12 H12 N2 O -","- C12 H12 N2 O -","- C48 H48 N8 O4 -","4","1","NA6064","Chen, Zhen-Feng; Xie, Yong-Rong; Fun, Hoong-Kun; Chantrapromma, Suchada; Razak, Ibrahim Abdul; Xiong, Ren-Gen; You, Xiao-Zeng","4-[(3-Pyridylamino)methyl]phenol","Acta Crystallographica Section E","2001","57","5","o411","o413","10.1107/S1600536801005037","","","0.71073","MoKα","","0.11","0.0577","","","","0.1333","","","","","","0.99","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00","" "2200309","33.805","0.005","7.1247","0.0009","7.2074","0.001","90","","90","","90","","1735.9","0.4","290","2","290","2","","","","","","","","3","C m c 21","C 2c -2","36","","2,6-Bis[1-(phenylimino)ethyl]pyridine","","- C21 H19 N3 -","- C21 H19 N3 -","- C84 H76 N12 -","4","0.5","NA6065","Ayfer Mentes; John Fawcett; Raymond D. W. Kemmitt","2,6-Bis[1-(phenylimino)ethyl]pyridine","Acta Crystallographica Section E","2001","57","5","o424","o425","10.1107/S1600536801005943","","","0.71073","MoKα","","0.0645","0.0489","","","","0.1509","","","","","","1.072","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00","" "2200310","8.411","0.002","9.617","0.003","10.538","0.003","102.62","0.02","91.23","0.02","102.94","0.02","808.5","0.4","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","1-(2,4-Dinitrophenyl)-3-(2-hydroxy-5-methylphenyl)pyrazole-4-carboxaldehyde","","- C17 H12 N4 O6 -","- C17 H12 N4 O6 -","- C34 H24 N8 O12 -","2","1","NA6066","Jeyakanthan, J.; Velmurugan, D.; Selvi, S.; Perumal, P. T.","1-(2,4-Dinitrophenyl)-3-(2-hydroxy-5-methylphenyl)pyrazole-4-carboxaldehyde","Acta Crystallographica Section E","2001","57","5","o474","o476","10.1107/S1600536801006900","","","1.5418","CuKα","","0.0825","0.0504","","","","0.1764","","","","","","1.169","","","","has coordinates","201973","2020-10-21","18:00:00","" "2200311","6.6181","0.0012","7.4989","0.0011","9.9","0.004","90","","92.62","0.02","90","","490.8","0.2","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","Trichloro(sarcosinium) zinc(II) monohydrate","Trichloro(sarcosinium) zinc(II) monohydrate","","- C3 H10 Cl3 N O3 Zn -","- C3 H10 Cl3 N O3 Zn -","- C6 H20 Cl6 N2 O6 Zn2 -","2","1","NA6068","Krishnakumar, R. V.; Subha Nandhini, M.; Natarajan, S.","Trichloro(sarcosinio)zinc(II) monohydrate","Acta Crystallographica Section E","2001","57","5","m192","m194","10.1107/S160053680100592X","","","0.71073","MoKα","","0.0179","0.0173","","","","0.0527","","","","","","1.275","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00","" "2200312","34.65","0.002","3.73","0.002","20.76","0.002","90","","110.47","0.06","90","","2513.7","1.7","298","2","298","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","diflunisal hydrate","2',4'-Difluoro-4-hydroxybiphenyl-3-carboxylic acid hydrate","","- C13 H10 F2 O4 -","- C13 H9 F2 O4 -","- C104 H72 F16 O32 -","8","1","NA6069","Hansen, Lars Kr.; Perlovich, German L.; Bauer-Brandl, Annette","The 1:1 hydrate of diflunisal","Acta Crystallographica Section E","2001","57","5","o477","o479","10.1107/S1600536801006973","","","0.71069","MoKα","","0.0995","0.0496","","","","0.1776","","","","","","0.826","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00","" "2200313","7.1142","0.0002","11.0127","0.0003","16.463","0.0004","90","","90.078","0.001","90","","1289.82","0.06","133","","133","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C13 H14 N4 O -","- C13 H14 N4 O -","- C52 H56 N16 O4 -","4","1","NA6071","Bolte, Michael; Kühl, Christine; Lüning, Ulrich","N,N'-Bis(6-methyl-2-pyridyl)urea","Acta Crystallographica Section E","2001","57","6","o502","o504","10.1107/S1600536801007334","","","0.71073","MoKα","","0.0441","0.0356","","","","0.0945","","","","1.119","1.119","1.085","","","","has coordinates","201973","2020-10-21","18:00:00","" "2200314","12.996","0.003","5.8243","0.0012","42.693","0.009","90","","97.42","0.03","90","","3204.5","1.2","150","2","","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C20 H16 O7 -","- C20 H16 O7 -","- C160 H128 O56 -","8","2","NA6072","Coles, Simon J.; Hursthouse, Michael B.","4,8-Bis(3,4-methylenedioxy)phenyl-3,7-dioxabicyclo[3.3.0]octan-2-one","Acta Crystallographica Section E","2001","57","6","o544","o546","10.1107/S1600536801007437","","","0.71073","MoKα","","","0.0633","","","","0.1484","","","","","","0.866","","","","has coordinates","176774","2020-10-21","18:00:00","" "2200315","15.244","0.002","15.244","0.002","15.244","0.002","90","","90","","90","","3542.4","0.8","173","2","173","2","","","","","","","","5","P a -3","-P 2ac 2ab 3","205","","","","- C24 H48 Cl6 Fe3 O7 -","- C24 H48 Cl6 Fe3 O7 -","- C96 H192 Cl24 Fe12 O28 -","4","0.166667","NA6073","Bolte, Michael; Lerner, Hans-Wolfram; Scholz, Stefan","[Fe(thf)~6~][Cl~3~Fe‒O‒FeCl~3~]","Acta Crystallographica Section E","2001","57","6","m216","m217","10.1107/S1600536801007115","","","0.71073","MoKα","","0.1377","0.056","","","","0.1327","","","","","","1.03","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00","" "2200316","8.9591","0.0005","16.614","0.001","10.7359","0.0006","90","","91.83","0.01","90","","1597.19","0.16","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Bis(dimethylglyoximato-N,N')(ethanol-O)nitrocobalt(III)","","- C10 H20 Co N5 O7 -","- C10 H20 Co N5 O7 -","- C40 H80 Co4 N20 O28 -","4","1","NA6074","Hu, Chunhua; Englert, Ulli","Bis(dimethylglyoximato-N,N')(ethanol-O)nitrocobalt(III), [Co(Hdmg)~2~(NO~2~)(EtOH)]","Acta Crystallographica Section E","2001","57","6","m222","m223","10.1107/S1600536801007383","","","0.71073","MoKα","","0.0559","0.0426","","","","0.108","","","","","","1.036","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00","" "2200317","11.206","0.0017","9.3052","0.001","14.4925","0.0018","90","","101.979","0.008","90","","1478.3","0.3","220","1","220","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","7-phenyl-5H-dibenz[c,e]azepine N-oxide","","- C20 H15 N O -","- C20 H15 N O -","- C80 H60 N4 O4 -","4","1","NA6075","Gould, Robert O.; Krieger, Matthias; Sharp, John T.","7-Phenyl-5H-dibenz[c,e]azepine N-oxide","Acta Crystallographica Section E","2001","57","6","o521","o523","10.1107/S1600536801008042","","","1.5418","CuKα","","0.0452","0.0399","","","","0.1083","","","","","","1.052","","","","has coordinates","176774","2020-10-21","18:00:00","" "2200318","11.425","0.003","5.542","0.003","12.95","0.004","90","","106.39","0.02","90","","786.6","0.5","296.2","","","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C18 H16 Cu N2 O4 -","- C18 H16 Cu N2 O4 -","- C36 H32 Cu2 N4 O8 -","2","0.5","NA6078","Okabe, Nobuo; Saishu, Hiroko","Bisaquabis(8-hydroxyquinolinato-N,O)copper(II)","Acta Crystallographica Section E","2001","57","6","m251","m252","10.1107/S1600536801008297","","","0.7107","MoKα","","","0.0327","","","","0.1109","","","","","","0.914","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00","" "2200319","11.914","0.002","12.399","0.005","26.133","0.005","90","","90","","90","","3860.4","1.8","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","7-Cyclopentyl-5-(4-phenoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidine-4-ylamine","","- C23 H22 N4 O -","- C23 H22 N4 O -","- C184 H176 N32 O8 -","8","1","NA6079","Zrinka Banić Tomišić; Andreja Čempuh; Ivica Malnar","7-Cyclopentyl-5-(4-phenoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidine-4-ylamine, an lck tyrosine kinase inhibitor","Acta Crystallographica Section E","2001","57","6","o511","o513","10.1107/S1600536801007917","","","0.71069","MoKα","","0.4675","0.0614","","","","0.136","","","","","","0.841","","","","has coordinates","201973","2020-10-21","18:00:00","" "2200320","17.761","0.004","6.6774","0.0013","19.173","0.004","90","","96.91","0.02","90","","2257.3","0.8","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Aqua(n-pentyl)[3,3'-(propane-1,3-diyldinitrilo)bis(butan-2-one)dioximato- ^4^N]cobalt(III)perchlorate","","- C16 H32 Cl Co N4 O7 -","- C16 H32 Cl Co N4 O7 -","- C64 H128 Cl4 Co4 N16 O28 -","4","1","OB6033","Shen, Xu-Jie; Chen, Hui-Lan; Duan, Chun-Ying; Liu, Yong-Jiang","Aqua(n-pentyl)[3,3'-(propane-1,3-diyldinitrilo)bis(butan-2-one) dioximato-κ^4^N]cobalt(III) perchlorate","Acta Crystallographica Section E","2001","57","5","m188","m189","10.1107/S1600536801005086","","","0.71073","MoKα","","0.1003","0.0656","","","","0.1887","","","","","","1.04","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00","" "2200321","6.2854","0.0019","8.626","0.003","15.318","0.005","97.391","0.006","97.498","0.006","100.559","0.007","799.5","0.5","293","2","","","","","","","","","","4","P -1","-P 1","2","","2-tert-Butyl-4-methyl-6-(4-piperidylmethyl)phenol","","- C17 H27 N O -","- C17 H27 N O -","- C34 H54 N2 O2 -","2","1","OB6034","Xu Deng; Ya-Mei Guo; Miao Du; Ya-Yin Fang","2-tert-Butyl-4-methyl-6-(4-piperidylmethyl)phenol","Acta Crystallographica Section E","2001","57","6","o488","o489","10.1107/S1600536801006328","","","0.71073","MoKα","","0.1533","0.0584","","","","0.1551","","","","","","0.993","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00","" "2200322","9.61","0.002","11.313","0.002","13.455","0.003","80.96","0.03","81.45","0.03","77.78","0.03","1401.8","0.5","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","Tetraaqua[3-(1H-imidazol-4-yl)-2-(6-{N-[(1H-imidazol-4-yl)-1-carboxylatoethyl]- carbamoyl}-2-pyridylcarbonylamino)propionato]nickel(II) pentahydrate","","- C19 H35 N7 Ni O15 -","- C19 H35 N7 Ni O15 -","- C38 H70 N14 Ni2 O30 -","2","1","OB6035","Joussef, Antônio C.; Ceccato, Augusto S.; Bortoluzzi, Adailton J.; de Brito, Marcos A.; Drechsel, Sueli M.","Tetraaqua[3-(1H-imidazol-4-yl)-2-(6-{N-[(1H-imidazol-4-yl)-1-carboxylatoethyl]carbamoyl}-2-pyridylcarbonylamino)propionato]nickel(II) pentahydrate","Acta Crystallographica Section E","2001","57","6","m224","m226","10.1107/S1600536801007164","","","0.71073","MoKα","","0.073","0.041","","","","0.114","","","","","","1.037","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00","" "2200323","11.235","0.003","5.8312","0.0014","13.0948","0.0019","90","","91.282","0.016","90","","857.7","0.3","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","L-Valine L-Valinium Perchlorate","L-Valine L-Valinium Perchlorate monohydrate","","- C10 H25 Cl N2 O9 -","- C10 H25 Cl N2 O9 -","- C20 H50 Cl2 N4 O18 -","2","1","OB6036","S. Pandiarajan; B. Sridhar; R. K. Rajaram","L-Valine L-valinium perchlorate monohydrate","Acta Crystallographica Section E","2001","57","5","o466","o468","10.1107/S160053680100681X","","","0.71073","MoKα","","0.0445","0.0371","","","","0.11","","","","","","1.172","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00","" "2200324","7.2861","0.0015","20.179","0.004","10.453","0.002","90","","103.47","0.03","90","","1494.6","0.5","293","2","293","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","Octaaquabis[dihydrogen 1,2,4,5-benzenetetracarboxylate(2-)]dissodium(I)zinc(II) dihydrate","","- C20 H28 Na2 O26 Zn -","- C20 H28 Na2 O26 Zn -","- C40 H56 Na4 O52 Zn2 -","2","0.25","OB6037","Chuan-De Wu; Ding-Ming Wu; Can-Zhong Lu; Jin-Shun Huang","Octaaquabis[dihydrogen 1,2,4,5-benzenetetracarboxylate(2‒)]disodium(I)zinc(II) dihydrate","Acta Crystallographica Section E","2001","57","6","m253","m255","10.1107/S1600536801008261","","","0.71073","MoKα","","0.0762","0.0564","","","","0.1634","","","","","","1.089","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00","" "2200325","8.5577","0.0002","10.7752","0.0003","11.0632","0.0003","90","","97.386","0.0009","90","","1011.68","0.05","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","3,5-Diiodo-4-oxo-1,4-dihydropyridine-1-acetic acid","","- C7 H5 I2 N O3 -","- C7 H5 I2 N O3 -","- C28 H20 I8 N4 O12 -","4","1","OB6039","Cox, Philip J.; Hickey, Geraldine","3,5-Diiodo-4-oxo-1,4-dihydropyridine-1-acetic acid","Acta Crystallographica Section E","2001","57","6","o495","o497","10.1107/S160053680100722X","","","0.71073","MoKα","","0.053","0.05","","","","0.1364","","","","","","1.045","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00","" "2200326","10.7043","0.0002","10.723","0.0002","13.9487","0.0003","103.352","0.001","111.835","0.001","92.519","0.001","1431.01","0.05","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","4-{4-[2-(2-hydroxyethyl)methylamino]benzylideneamino}-5-methyl- 1,2,4-triazole-3-thione","","- C13 H17 N5 O S -","- C13 H17 N5 O S -","- C52 H68 N20 O4 S4 -","4","2","OB6040","Ji Wu; Yu-Peng Tian; Fu-Xin Xie; Suchada Chantrapromma; Hoong-Kun Fun; Ibrahim Abdul Razak","4-Amino-5-methyl-1,2,4-triazole-3-thione derivative of 4-[2-(2-hydroxyethyl)methylamino]benzaldehyde","Acta Crystallographica Section E","2001","57","6","o547","o549","10.1107/S1600536801007851","","","0.71073","MoKα","","0.0815","0.0536","","","","0.1456","","","","","","0.964","","","","has coordinates","201973","2020-10-21","18:00:00","" "2200327","11.81","0.002","13.985","0.003","14.434","0.003","90","","90","","90","","2384","0.8","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","dimethyl(Z)-[(8aS,2R, 4aR, 4bR)-8a-methoxycarbonyl-1,4a,7- -trimethyl-8-oxo-2,3,4,4a,4b,5,8,8a,9,10-decahydro- -phenanthren-2-yl]-2-butenedioate","","- C25 H32 O7 -","- C25 H32 O7 -","- C100 H128 O28 -","4","1","OB6041","Abad, Antonio; Agulló, Consuelo; Cuñat, Ana C.; Navarro, Ismael; Ramírez de Arellano, Carmen","The product of a regiospecific and stereoselective ene-reaction of a polycyclic terpenoid system","Acta Crystallographica Section E","2001","57","6","o553","o554","10.1107/S1600536801008510","","","0.71073","MoKα","","0.0778","0.0491","","","","0.123","","","","","","1.094","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00","" "2200328","6.3521","0.0007","10.4406","0.0006","13.523","0.001","90","","97.199","0.004","90","","889.77","0.13","123.2","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C10 H10 N2 O -","- C10 H10 N2 O -","- C40 H40 N8 O4 -","4","1","OB6043","Yoshinori Naruta; Yoshimitsu Tachi; Takefumi Chishiro; Yuichi Shimazaki; Fumito Tani","2-(Imidazol-1-yl)-4-methylphenol","Acta Crystallographica Section E","2001","57","6","o550","o552","10.1107/S1600536801008492","","","0.7107","MoKα","","","0.049","","","","0.1569","","","","","","1.604","","","","has coordinates","201973","2020-10-21","18:00:00","" "2200329","6.8839","0.0011","12.463","0.0017","7.9173","0.0012","90","","111.127","0.018","90","","633.6","0.18","153","2","153","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C4 H14 Br2 N2 Ni O4 -","- C4 H14 Br2 N2 Ni O4 -","- C8 H28 Br4 N4 Ni2 O8 -","2","0.5","OM6004","Assoumatine, Tokouré; Stoeckli-Evans, Helen","trans-Bis(acetonitrile-N)tetraaquanickel(II) dibromide","Acta Crystallographica Section E","2001","57","5","m179","m180","10.1107/S1600536801005323","","","0.71073","MoKα","","0.0474","0.0397","","","","0.1122","","","","","","1.055","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00","" "2200330","15.14","0.004","13.655","0.003","12.286","0.003","90","","110.51","0.03","90","","2379","1.1","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","N-(1-Adamantyl)-4-hydroxy-2-(2-methylpropyl)-2-oxo-1,2-dihydroquinoline-3- carboxamide","","- C25.5 H34 N2 O3.5 -","- C25.5 H34 N2 O3.5 -","- C102 H136 N8 O14 -","4","1","OM6005","Shishkina, Svetlana V.; Shishkin, Oleg V.; Ukrainets, Igor V.; Maher Amer; Sidorenko, Lyudmila V.","N-(1-Adamantyl)-4-hydroxy-2-(2-methylpropyl)-2-oxo-1,2-dihydroquinoline-3-carboxamide","Acta Crystallographica Section E","2001","57","5","o414","o415","10.1107/S1600536801005591","","","0.71073","MoKα","","0.2399","0.0688","","","","0.212","","","","","","0.907","","","","has coordinates,has disorder,has Fobs","176435","2020-10-21","18:00:00","" "2200331","6.7112","0.0008","10.4414","0.0008","17.687","0.002","90","","90","","90","","1239.4","0.2","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","8-Oxa-1-aza-7-phenylbicyclo[5.2.1]decane-9,10-dione","","- C14 H15 N O3 -","- C14 H15 N O3 -","- C56 H60 N4 O12 -","4","1","OM6011","Kubicki, Maciej; Codding, Penelope W.","8-Oxa-1-aza-7-phenylbicyclo[5.2.1]decane-9,10-dione","Acta Crystallographica Section E","2001","57","5","o406","o407","10.1107/S160053680100558X","","","1.54178","CuKα","","0.0744","0.0628","","","","0.1369","","","","","","1.1","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00","" "2200332","10.365","0.002","15.529","0.004","11.767","0.003","90","","93.33","0.02","90","","1890.8","0.8","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","PK11195","1-(2-Chlorophenyl)-N-methyl-N-(1-methylpropyl)isoquinoline-3-carboxamide","","- C21 H21 Cl N2 O -","- C21 H21 Cl N2 O -","- C84 H84 Cl4 N8 O4 -","4","1","OM6013","Kubicki, Maciej; Codding, Penelope W.","1-(2-Chlorophenyl)-N-methyl-N-(1-methylpropyl)isoquinoline-3-carboxamide","Acta Crystallographica Section E","2001","57","5","o389","o391","10.1107/S160053680100530X","","","1.54178","CuKα","","0.0962","0.0688","","","","0.164","","","","","","1.291","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00","" "2200333","14.016","0.0007","38.4862","0.0012","17.2175","0.0005","90","","90","","90","","9287.5","0.6","174","2","174","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","Bis[(μ-1,3-diphenylpropane-1,3-dionato-O,O':O')dimethylthallium]","","- C34 H34 O4 Tl2 -","- C34 H34 O4 Tl2 -","- C408 H408 O48 Tl24 -","12","1.5","OM6014","Britton, Doyle","Bis[(μ-1,3-diphenylpropane-1,3-dionato-O,O':O')dimethylthallium], [(CH~3~)~2~Tl(bzbz)]~2~","Acta Crystallographica Section E","2001","57","5","m176","m178","10.1107/S1600536801005311","","","0.71073","MoKα","","0.057","0.046","","","","0.107","","","","","","1.136","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00","" "2200334","10.7917","0.0014","11.0583","0.0014","11.7156","0.0015","63.282","0.002","77.173","0.002","71.153","0.002","1177","0.3","171","2","171","2","","","","","","","","6","P -1","-P 1","2","","trans-bis(Triphenylphosphine)bis(4,4,4-trifluoro-1-phenyl- 1,3-butanedionato-O,O')nickel(II)","","- C56 H42 F6 Ni O4 P2 -","- C56 H42 F6 Ni O4 P2 -","- C56 H42 F6 Ni O4 P2 -","1","0.5","OM6015","Dickman, Michael H.","trans-Bis(4,4,4-trifluoro-1-phenyl-1,3-butanedionato-O,O')bis(triphenylphosphine-P)nickel(II) at 173K","Acta Crystallographica Section E","2001","57","6","m220","m221","10.1107/S1600536801005220","","","0.71073","MoKα","","0.0532","0.0407","","","","0.1086","","","","","","1.012","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00","" "2200335","8.3588","0.0004","10.6774","0.0004","12.5709","0.0005","99.033","0.003","108.701","0.004","99.057","0.003","1023.33","0.08","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","α-[(diphenylmethoxy)methyl]-2,5-dimethyl-1-pyrrolidineethanol","","- C22 H29 N O2 -","- C22 H29 N O2 -","- C44 H58 N2 O4 -","2","1","OM6016","Kubicki, Maciej; Codding, Penelope W.","α-[(Diphenylmethoxy)methyl]-2,5-dimethyl-1-pyrrolidineethanol","Acta Crystallographica Section E","2001","57","6","o490","o491","10.1107/S1600536801006638","","","1.54178","CuKα","","0.0488","0.043","","","","0.1156","","","","","","1.092","","","","has coordinates","201973","2020-10-21","18:00:00","" "2200336","10.0838","0.0016","25.963","0.004","10.1696","0.0017","90","","95.641","0.014","90","","2649.6","0.7","296","2","296","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","Tricarbonylchromium dihydroacenaphthylene complex","exo-(±)-Tricarbonyl(η^6^-1-hydroxy-1,2-dihydroacenaphthylene)chromium(0)","","- C15 H10 Cr O4 -","- C15 H10 Cr O4 -","- C120 H80 Cr8 O32 -","8","2","OM6017","Parvez, Masood; Simion, Dan V.; Sorensen, Ted S.","exo-(±)-Tricarbonyl(η^6^-1-hydroxy-1,2-dihydroacenaphthylene)chromium(0)","Acta Crystallographica Section E","2001","57","5","m204","m206","10.1107/S1600536801006304","","","0.71069","MoKα","","0.253","0.047","","","","0.161","","","","","","0.95","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00","" "2200337","17.48","0.002","11.443","0.002","21.889","0.003","90","","91.95","0.02","90","","4375.8","1.1","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C44 H64 N4 Si2 W -","- C44 H64 N4 Si2 W -","- C176 H256 N16 Si8 W4 -","4","1","OM6018","Mills, Ryan C.; Boncella, James M.; Abboud, Khalil A.","A chelate-stabilized tungsten‒bis(imido) complex","Acta Crystallographica Section E","2001","57","6","m218","m219","10.1107/S160053680100664X","","","0.71073","MoKα","","0.0356","0.0221","","","","0.0471","","","","","","1.002","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00","" "2200338","12.6157","0.0004","8.2419","0.0004","7.5397","0.0008","90","","90","","90","","783.96","0.09","120","","120","","","","","","","","","4","P n m a","-P 2ac 2n","62","","trimethylsulfonium methanesulfonate","","- C4 H12 O3 S2 -","- C4 H12 O3 S2 -","- C16 H48 O12 S8 -","4","0.5","OM6021","Fronczek, Frank R.; Johnson, Rolanda J.; Strongin, Robert M.","Trimethylsulfonium methanesulfonate","Acta Crystallographica Section E","2001","57","5","o447","o448","10.1107/S1600536801006651","","","0.71073","MoKα","","0.074","0.039","","","","0.089","","","","","","1.022","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00","" "2200339","9.2865","0.0016","9.6572","0.0018","8.2077","0.0018","98.813","0.018","92.841","0.017","65.794","0.012","663.4","0.2","296","","296","","","","","","","","","5","P -1","-P 1","2","","α-bromoisopropyl mesityl sulfone","","- C12 H17 Br O2 S -","- C12.002 H17.006 Br0.983 O2 S -","- C24.004 H34.012 Br1.966 O4 S2 -","2","1","OM6022","Chan-Yu-King, Roch; Hou, Yuqing; Sandrock, Paul; Meyers, Cal Y.; Robinson, Paul D.","2-Bromo-2-propyl mesityl sulfone","Acta Crystallographica Section E","2001","57","5","o449","o450","10.1107/S1600536801006687","","","0.71069","MoKα","","0.13","0.055","","","","0.169","","","","","","1.03","","","","has coordinates,has disorder,has Fobs","176435","2020-10-21","18:00:00","" "2200340","12.472","0.0009","16.07","0.0012","14.0635","0.0011","90","","104.66","0.02","90","","2726.9","0.4","90","2","90","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","NacNacAlH2","","","- C29 H43 Al N2 -","- C29 H43 Al N2 -","- C116 H172 Al4 N8 -","4","1","OM6027","Twamley, Brendan; Hardman, Ned J.; Power, Philip P.","A primary monomeric alane: [N,N'-bis(2,6-diisopropylphenyl)pentane-2,4-diiminato-N,N']dihydridoaluminium","Acta Crystallographica Section E","2001","57","6","m227","m228","10.1107/S1600536801007413","","","0.71073","MoKα","","0.093","0.049","","","","0.135","","","","","","1.02","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00","" "2200341","11.669","0.004","11.7771","0.0016","6.175","0.0012","101.711","0.014","95.71","0.03","75.948","0.017","805","0.3","296","","296","","","","","","","","","4","P -1","-P 1","2","","2-Bromo-2-propyl 2-(5-tert-butyl-1,3-xylyl) ketone","","- C16 H23 Br O -","- C16.0001 H23.0003 Br0.9999 O -","- C32.0002 H46.0006 Br1.9998 O2 -","2","1","OM6028","Robinson, Paul D.; Sandrock, Paul; Xie, Songwen; Meyers, Cal Y.","2-Bromo-2-propyl 2-(5-tert-butyl-1,3-xylyl) ketone","Acta Crystallographica Section E","2001","57","6","o555","o557","10.1107/S1600536801008522","","","0.71069","MoKα","","0.19","0.07","","","","0.261","","","","","","1.029","","","","has coordinates,has disorder","176774","2020-10-21","18:00:00","" "2200342","10.165","0.002","10.365","0.002","9.053","0.002","112.93","0.01","100.12","0.02","102.37","0.01","821.7","0.3","150","","150","","","","","","","","","4","P -1","-P 1","2","","","","- C19 H17 N S2 -","- C19 H17 N S2 -","- C38 H34 N2 S4 -","2","1","TK6007","Tolhurst, Vicki-Anne; Ball, Rachel J.; Genge, Anthony R. J.","2,6-Bis(phenylthiomethyl)pyridine","Acta Crystallographica Section E","2001","57","5","o392","o393","10.1107/S1600536801005293","","","0.7107","MoKα","","","0.0343","","","0.0407","","","","","3.021","3.021","","","","","has coordinates","176774","2020-10-21","18:00:00","" "2200343","21.585","0.004","11.675","0.003","8.092","0.002","90","","90","","90","","2039.2","0.8","293","2","293","2","","","","","","","","3","C m c 21","C 2c -2","36","","","","- C24 H24 O5 -","- C24 H24 O5 -","- C96 H96 O20 -","4","0.5","TK6010","Sim, Wonbo; Lee, Jai Young; Kim, Jong Seung; Kim, Moon-Jib; Kim, Jin-Gyu; Suh, Il-Hwan","2,11,18,21,24-Pentaoxatetracyclo[23.4.0.0^4,9^.0^12,17^]nonaicosa-1(25),4(9),5,7,12(17),13,15,26,28-nonaene","Acta Crystallographica Section E","2001","57","5","o416","o418","10.1107/S1600536801005505","","","0.71069","MoKα","","0.142","0.045","","","","0.107","","","","","","0.981","","","","has coordinates,has disorder","176774","2020-10-21","18:00:00","" "2200344","12.2039","0.0008","12.2039","0.0008","8.343","0.001","90","","90","","90","","1242.57","0.19","298","2","298","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","1-N-benzyl-4-carboxybenzotriazole","","- C14 H11 N3 O2 -","- C14 H11 N3 O2 -","- C56 H44 N12 O8 -","4","1","TK6012","Graham Smith; Steven E. Bottle; Damien A. Reid; D. Paul Schweinsberg; Raymond C. Bott","A novel benzylated carboxytriazole: 1-benzyl-4-carboxybenzotriazole","Acta Crystallographica Section E","2001","57","6","o531","o532","10.1107/S1600536801008133","","","0.71069","MoKα","","0.133","0.042","","","","0.102","","","","","","1","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00","" "2200345","7.109","0.003","15.014","0.002","17.139","0.002","90","","90","","90","","1829.3","0.8","200","","","","","","","","","","","6","P c c n","-P 2ab 2ac","56","","","","- C18 H16 Ag F6 P S2 -","- C18 H16 Ag F6 P S2 -","- C72 H64 Ag4 F24 P4 S8 -","4","0.5","TK6013","Wen, Ming; Munakata, Megumu; Suenaga, Yusaku; Kuroda-Sowa, Takayoshi; Maekawa, Masahiko; Yan, Sheng Gang","A bent two-coordinate silver(I) complex with 2,2',3,3'-tetrahydro-4,4'-dithia-1,1'-binaphylidene","Acta Crystallographica Section E","2001","57","6","m246","m247","10.1107/S1600536801007759","","","0.7107","MoKα","","","0.034","","","","0.079","","","","","","1.13","","","","has coordinates","176774","2020-10-21","18:00:00","" "2200346","8.444","0.004","15.58","0.007","11.579","0.006","90","","110.333","0.009","90","","1428.4","1.2","293","2","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","(R,R)-1,3-Bis(phenylsulfinyl)propane","","- C15 H16 O2 S2 -","- C15 H16 O2 S2 -","- C60 H64 O8 S8 -","4","1","TK6014","Wei Chen; Miao Du; Wei Weng; Ruo-Hua Zhang; Xian-He Bu","(R,R)-1,3-Bis(phenylsulfinyl)propane","Acta Crystallographica Section E","2001","57","5","o430","o431","10.1107/S1600536801006134","","","0.71073","MoKα","","0.052","0.044","","","","0.127","","","","","","1.1","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00","" "2200347","6.743","0.005","19.418","0.005","22.095","0.005","90","","90","","90","","2893","2","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","Tri(L-Isoleucinium) sulfate bisulfate","Tri(L-Isoleucinium) sulfate bisulfate","","- C18 H43 N3 O14 S2 -","- C18 H43 N3 O14 S2 -","- C72 H172 N12 O56 S8 -","4","1","TK6015","B. Sridhar; N. Srinivasan; R. K. Rajaram","Tri(L-isoleucinium) sulfate bisulfate","Acta Crystallographica Section E","2001","57","6","o558","o560","10.1107/S1600536801008583","","","0.71069","MoKα","","0.145","0.047","","","","0.125","","","","","","0.99","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00","" "2200348","8.8053","0.0018","13.885","0.003","15.647","0.003","90","","90","","90","","1913","0.7","163","2","163","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","Dichoro[(3-methyl-2-p-tolylsulfonamidobutyl)-κ^2^N,O:η^5^-cyclopentadienyl]- titanium","","- C17 H21 Cl2 N O2 S Ti -","- C17 H21 Cl2 N O2 S Ti -","- C68 H84 Cl8 N4 O8 S4 Ti4 -","4","1","TK6016","Lensink, Cornelis; Gainsford, Graeme J.; Brandsma, Menno","Dichloro[(3-methyl-2-p-tolylsulfonamidobutyl)-κ^2^N,O:η^5^-cyclopentadienyl]titanium","Acta Crystallographica Section E","2001","57","5","m211","m212","10.1107/S1600536801007061","","","0.71073","MoKα","","0.022","0.021","","","","0.056","","","","","","1.06","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00","" "2200349","9.4515","0.0002","10.7953","0.0003","12.7494","0.0004","90","","109.025","0.001","90","","1229.79","0.06","149","2","","","","","","","","","","4","P 1 21 1","P 2yb","4","","oxobis(2,2,6,6-tetramethyl-3,5-heptadionato)vanadium(IV)","","- C22 H38 O5 V -","- C22 H38 O5 V -","- C44 H76 O10 V2 -","2","1","TK6017","Urs, Usha K.; Anitha, K. C.; Lakshmi Raghunathan, K.; Shivashankar, S. A.; Robinson, W. T.; Guru Row, T. N.","Low-temperature oxobis(2,2,6,6-tetramethyl-3,5-heptanedionato)vanadium(IV)","Acta Crystallographica Section E","2001","57","6","m242","m243","10.1107/S1600536801007760","","","0.71073","MoKα","","","0.074","","","","0.187","","","","","","0.92","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00","" "2200350","9.147","0.006","10.138","0.007","9.699","0.008","90","","92.02","0.04","90","","898.9","1.1","203","2","203","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2'-amino-3',5'-dibromoacetophenone","","- C8 H7 Br2 N O -","- C8 H7 Br2 N O -","- C32 H28 Br8 N4 O4 -","4","1","TK6020","Baker, L-J.; Copp, Brent R.; Rickard, Clifton E. F.","2'-Amino-3',5'-dibromoacetophenone","Acta Crystallographica Section E","2001","57","6","o538","o539","10.1107/S1600536801008388","","","0.71073","MoKα","","0.026","0.023","","","","0.061","","","","","","1.06","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00","" "2200351","21.9206","0.0006","7.3583","0.0002","5.0596","0.0002","90","","90","","90","","816.11","0.05","291","2","291","2","","","","","","","","5","P n a 21","P 2c -2n","33","","2'-amino-5'-bromoacetophenone","","- C8 H8 Br N O -","- C8 H8 Br N O -","- C32 H32 Br4 N4 O4 -","4","1","TK6021","Baker, L-J.; Copp, Brent R.; Rickard, Clifton E. F.","2'-Amino-5'-bromoacetophenone","Acta Crystallographica Section E","2001","57","6","o540","o541","10.1107/S160053680100839X","","","0.71073","MoKα","","0.025","0.024","","","","0.061","","","","","","1.08","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00","" "2200352","29.037","0.013","9.072","0.006","12.628","0.006","90","","109.14","0.07","90","","3143","3","173","2","173","2","","","","","","","","5","C 1 2 1","C 2y","5","Cholesteryl Trichloroacetimidate","","","- C31.5 H51 Cl3 N O1.5 -","- C31.5 H51 Cl3 N O1.5 -","- C126 H204 Cl12 N4 O6 -","4","1","TK6022","Simon Fielder; Daryl D. Rowan; Michael S. Sherburn; Anthony K. Burrell","1-(Cholest-4-en-3β-yl)-2,2,2-trichloroethanimidate tert-butyl methyl ether hemisolvate","Acta Crystallographica Section E","2001","57","6","o533","o534","10.1107/S160053680100825X","","","0.71073","MoKα","","0.086","0.078","","","","0.221","","","","","","1.03","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00","" "2200353","13.573","0.001","13.8717","0.0009","12.688","0.001","90","","90","","90","","2388.9","0.3","293","2","293","2","","","","","","","","4","I b a m","-I 2 2c","72","Triisopropylphosphine sulfide","Triisopropylphosphine sulfide","","- C9 H21 P S -","- C9 H21 P S -","- C72 H168 P8 S8 -","8","0.5","WN6010","Staples, Richard J.; Segal, Brent M.","Triisopropylphosphine sulfide","Acta Crystallographica Section E","2001","57","5","o432","o433","10.1107/S1600536801004767","","","0.71073","MoKα","","0.1434","0.0694","","","","0.2179","","","","","","1.143","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00","" "2200354","10.1504","0.0001","11.9299","0.0003","12.6337","0.0001","111.073","0.001","90.906","0.002","111.218","0.002","1311.91","0.04","293","2","293","2","","","","","","","","5","P -1","-P 1","2","[Cu(OH)~4~(C~12~H~8~N~2)~4~(H~2~O)~4~(NO~3~)~4~]","Diaquadi-μ~3~-hydroxo-di-μ~2~-hydroxo-tetraphenanthrolinetetracopper(II) tetranitrate dihydrate","","- C48 H36 Cu4 N12 O20 -","- C48 H36 Cu4 N12 O20 -","- C48 H36 Cu4 N12 O20 -","1","0.5","WN6011","Chuanpeng Cui; Jingcao Dai; Limin Wu; Wenxin Du; Xintao Wu","A tetranuclear copper complex, [Cu~4~(μ~3~-OH)~2~(μ~2~-OH)~2~(phen)~4~(H~2~O)~2~](NO~3~)~4~·2H~2~O","Acta Crystallographica Section E","2001","57","5","m198","m200","10.1107/S1600536801006018","","","0.71073","MoKα","","0.1261","0.0688","","","","0.1296","","","","","","1.392","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00","" "2200355","7.467","0.001","16.002","0.002","8.256","0.001","90","","98.96","0.01","90","","974.4","0.2","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","N,N'-Bis(2-methoxyphenyl)-3,6-dioxaoctanediamide","","- C20 H24 N2 O6 -","- C20 H24 N2 O6 -","- C40 H48 N4 O12 -","2","0.5","WN6012","Wei-Hua Jiang; Wei-Sheng Liu; Kai-Bei Yu","N,N'-Bis(2-methoxyphenyl)-3,6-dioxaoctanediamide","Acta Crystallographica Section E","2001","57","5","o402","o403","10.1107/S1600536801005499","","","0.71073","MoKα","","0.0631","0.0371","","","","0.0976","","","","","","0.94","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00","" "2200356","16.788","0.013","6.791","0.007","15.814","0.013","90","","119.89","0.06","90","","1563","3","298","2","298","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","Dichlorobis(eta(5)-1,2,4-trimethylcyclopentadienyl)titanium(IV)","","- C16 H22 Cl2 Ti -","- C16 H22 Cl2 Ti -","- C64 H88 Cl8 Ti4 -","4","0.5","WN6013","Howie, R. Alan; McQuillan, Geoffrey P.; Thompson, David W.","Dichlorobis(η^5^-1,2,4-trimethylcyclopentadienyl)titanium(IV)","Acta Crystallographica Section E","2001","57","5","m181","m182","10.1107/S1600536801005372","","","0.71073","MoKα","","0.0392","0.0381","","","","0.0998","","","","","","1.172","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00","" "2200357","9.91","0.001","11.653","0.002","9","0.002","100.93","0.01","95.31","0.01","89.24","0.01","1016.1","0.3","293","","293","","","","","","","","","4","P -1","-P 1","2","","","","- C10 H11 N3 O2 -","- C10 H11 N3 O2 -","- C40 H44 N12 O8 -","4","2","WN6014","Prager, Rolf H.; Smith, Jason A.; Tiekink, Edward R. T.","Ethyl 3-methylimidazo[1,2-a]pyrimidine-2-carboxylate","Acta Crystallographica Section E","2001","57","5","o451","o453","10.1107/S1600536801006316","","","0.71073","MoKα","","0.147","0.058","","","","0.171","","","","","","1.03","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00","" "2200358","8.957","0.0009","27.968","0.003","7.137","0.001","90","","104.82","0.009","90","","1728.4","0.4","291","1","291","1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","5-morpholinemethyl-3-(4-fluoridebenzylideamin)-2-oxazolidinone chloride monohydrate","4-[3-(4-fluorobenzylidenamino)-2-oxooxazolidin-5-ylmethyl]morpholin-4-ium chloride monohydrate","","- C15 H21 Cl F N3 O4 -","- C15 H21 Cl F N3 O4 -","- C60 H84 Cl4 F4 N12 O16 -","4","1","WN6015","Kruszynski, Rafal; Bartczak, Tadeusz J.; Chilmonczyk, Zdzislaw; Cybulski, Jacek","4-[3-(4-Fluorobenzylideneamino)-2-oxo-1,3-oxazolidin-5-ylmethyl]morpholin-4-ium chloride monohydrate","Acta Crystallographica Section E","2001","57","5","o469","o471","10.1107/S1600536801006742","","","1.54056","CuKα","","0.0835","0.0629","","","","0.2012","","","","","","1.124","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00","" "2200359","19.0388","0.0006","9.6511","0.0003","20.9817","0.0006","90","","155.492","0.001","90","","1599.25","0.1","298","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Methyl (2-benzylidene-3-oxo-1,4-benzothiazin-4-yl)acetate","","- C18 H15 N O3 S -","- C18 H15 N O3 S -","- C72 H60 N4 O12 S4 -","4","1","WN6016","Zerzouf, A.; Salem, M.; Essassi, E. M.; Pierrot, M.","Methyl (2-benzylidene-3-oxo-1,4-benzothiazin-4-yl)acetate","Acta Crystallographica Section E","2001","57","6","o498","o499","10.1107/S1600536801007139","","","0.71073","MoKα","","0.048","0.039","","0.052","","0.05","","","1.398","","","1.289","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00","" "2200360","10.0535","0.0002","10.9029","0.0003","15.4808","0.0005","90","0.01","90","0.01","90","0.01","1696.89","0.08","298","","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","3-Methyl-4-(7-methylthiazolo[3,2-a]pyrimidin-5-yl)-2-phenyl-1H-pyrazol-5-one dihydrate","","- C17 H18 N4 O3 S -","- C17 H18 N4 O3 S -","- C68 H72 N16 O12 S4 -","4","1","WN6017","Djerrari, B.; Essassi, E. M.; Fifani, J.; Pierrot, M.","3-Methyl-4-(7-methylthiazolo[3,2-a]pyrimidin-5-yl)-2-phenyl-1H-pyrazol-5-one dihydrate","Acta Crystallographica Section E","2001","57","6","o500","o501","10.1107/S1600536801007140","","","0.71073","MoKα","","0.056","0.048","","0.074","","0.068","","","1.857","","","1.8","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00","" "2200361","6.6528","0.0002","5.7251","0.0002","20.9637","0.0008","90","","90.205","0.002","90","","798.46","0.05","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Bis(quinoxaline-2,3-dithiolato-S,S')nickel(II)","","- C16 H8 N4 Ni S4 -","- C16 H8 N4 Ni S4 -","- C32 H16 N8 Ni2 S8 -","2","0.5","WN6018","Zhao, Yingjun; Su, Weiping; Cao, Rong; Hong, Maochun","Bis(quinoxaline-2,3-dithiolato-S,S')nickel(II)","Acta Crystallographica Section E","2001","57","6","m229","m230","10.1107/S1600536801007152","","","0.71073","MoKα","","0.0855","0.0591","","","","0.1633","","","","","","1.048","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00","" "2200362","19.516","0.008","6.039","0.002","14.94","0.007","90","","112.17","0.03","90","","1630.6","1.2","223","","223","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H21 N O5 S2 -","- C14 H21 N O5 S2 -","- C56 H84 N4 O20 S8 -","4","1","YA6017","Creaser, Steffen P.; Pyke, Simon M.; Tiekink, Edward R. T.","N-(4,4-Dimethoxy-1-oxo-1λ^6^-thianylidene)-4-methyl-1-benzenesulfonamide","Acta Crystallographica Section E","2001","57","5","o394","o395","10.1107/S1600536801005347","","","0.71073","MoKα","","0.088","0.047","","","","0.136","","","","","","1.02","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00","" "2200363","8.555","0.004","8.814","0.004","14.849","0.002","90","","101.7","0.02","90","","1096.4","0.7","173","","173","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C12 H12 O4 -","- C12 H12 O4 -","- C48 H48 O16 -","4","1","YA6018","Avery, Thomas D.; Taylor, Dennis K.; Tiekink, Edward R. T.","trans-(±)-2-Carboxymethyl-3-phenylcyclopropane-1-carboxylic acid","Acta Crystallographica Section E","2001","57","5","o419","o420","10.1107/S1600536801005736","","","0.71073","MoKα","","0.061","0.037","","","","0.114","","","","","","0.9","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00","" "2200364","9.273","0.002","4.877","0.002","31.976","0.005","90","","92.76","0.02","90","","1444.4","0.7","173","","173","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C17 H18 O3 -","- C17 H18 O3 -","- C68 H72 O12 -","4","1","YA6019","Jevric, Martyn; Taylor, Dennis K.; Tiekink, Edward R. T.","Ethyl (E)-4-(2-hydroxy-1-naphthyl)-2-methyl-2-butenoate","Acta Crystallographica Section E","2001","57","5","o426","o427","10.1107/S160053680100602X","","","0.71073","MoKα","","0.067","0.037","","","","0.135","","","","","","0.82","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00","" "2200365","4.869","0.005","8.052","0.005","9.153","0.005","109.26","0.005","99.862","0.005","96.108","0.005","328.6","0.4","293","2","293","2","","","","","","","","3","P -1","-P 1","2","Tartaric acid monohydrate","2,3-Dihydroxysuccinic acid monohydrate","","- C4 H8 O7 -","- C4 H8 O7 -","- C8 H16 O14 -","2","1","YA6020","Nie, Jing-Jing; Xu, Duan-Jun; Wu, Jing-Yun; Chiang, Michael Y.","Redetermination of racemic tartaric acid monohydrate","Acta Crystallographica Section E","2001","57","5","o428","o429","10.1107/S1600536801006158","","","0.71069","MoKα","","0.043","0.04","","0.119","","0.114","","","1.07","","","1.09","","","","has coordinates","176774","2020-10-21","18:00:00","" "2200366","7.5755","0.0004","21.657","0.0012","11.0354","0.0006","90","","103.3","0.001","90","","1761.94","0.17","298","2","","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","cis-[rac-1,3-Bis(phenylsulfinyl)propane]dichloroplatinum(II)","","- C15 H16 Cl2 O2 Pt S2 -","- C15 H16 Cl2 O2 Pt S2 -","- C60 H64 Cl8 O8 Pt4 S8 -","4","1","YA6021","Wei Chen; Miao Du; Ruo-Hua Zhang; Xian-He Bu","cis-[rac-1,3-Bis(phenylsulfinyl)propane-S,S']dichloroplatinum(II)","Acta Crystallographica Section E","2001","57","5","m209","m210","10.1107/S1600536801006754","","","0.71073","MoKα","","0.049","0.047","","","","0.114","","","","","","1.04","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00","" "2200367","16.576","0.003","10.877","0.006","14.314","0.002","90","","90.25","0.01","90","","2580.7","1.5","173","","173","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C16 H40 Cl2 N6 O12 -","- C16 H40 Cl2 N6 O12 -","- C64 H160 Cl8 N24 O48 -","4","0.5","YA6022","Choi, Ki-Young; Lee, Han-Hyoung; Smyth, Douglas R.; Suh, Il-Hwan; Tiekink, Edward R. T.","4,11-Bis(acetamido)-7,14-dimethyl-4,11-diaza-1,8-diazoniacyclotetradecane diperchlorate dihydrate","Acta Crystallographica Section E","2001","57","5","o480","o482","10.1107/S1600536801007073","","","0.71069","MoKα","","0.13","0.043","","","","0.13","","","","","","0.98","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00","" "2200368","11.839","0.002","8.0773","0.001","22.695","0.004","90","","91.84","0.03","90","","2169.1","0.6","150","2","150","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","(1S*,4S*,5R*,8R*)-8-(3,4-Dimethoxyphenyl)-4-(3,4,5-trimethoxyphenyl)-3,7- dioxabicyclo[3.3.0]octan-2-one","","- C23 H26 O8 -","- C23 H26 O8 -","- C92 H104 O32 -","4","1","YA6023","Light, Mark E.; Hursthouse, Michael B.","(1S*,4S*,5R*,8R*)-8-(3,4-Dimethoxyphenyl)-4-(3,4,5-trimethoxyphenyl)-3,7-dioxabicyclo[3.3.0]octan-2-one","Acta Crystallographica Section E","2001","57","6","o514","o515","10.1107/S1600536801007425","","","0.71073","MoKα","","0.272","0.086","","","","0.334","","","","","","0.81","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00","" "2200369","18.795","0.002","13.32","0.001","19.579","0.002","90","","114.42","0.01","90","","4463.1","0.8","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","tetraphenylphosphonium μ-bromo-bromoheptacarbonyl-μ-dicyclohexylphosphido-dirhenate","","- C43 H42 Br2 O7 P2 Re2 -","- C43 H42 Br2 O7 P2 Re2 -","- C172 H168 Br8 O28 P8 Re8 -","4","1","YA6024","Petters, Dina; Flörke, Ulrich","The first example of a bromo- and phosphido-bridged binuclear rhenium carbonyl complex","Acta Crystallographica Section E","2001","57","6","m244","m245","10.1107/S1600536801007620","","","0.71073","MoKα","","0.07","0.037","","0.085","","0.076","","","0.96","","","1.07","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00","" "2200370","7.974","0.003","17.685","0.004","9.007","0.006","90","","98.74","0.04","90","","1255.4","1","173","","173","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C24 H46 N6 -","- C24 H46 N6 -","- C48 H92 N12 -","2","0.5","YA6025","Roy, Tapashi G.; Hazari, Saroj K. S.; Dey, Benu K.; Miah, H. A.; Tiekink, Edward R. T.","trans-(3S,5S,10R,12R)-1,8-Bis(2-cyanoethyl)-C-meso-3,5,7,7,10,12,14,14-octamethyl-1,4,8,11-tetraazacyclotetradecane","Acta Crystallographica Section E","2001","57","6","o524","o525","10.1107/S160053680100784X","","","0.71069","MoKα","","0.078","0.045","","","","0.143","","","","","","1.04","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00","" "2200371","10.3759","0.0003","9.7074","0.0003","10.84","0.0003","90","","92.432","0.001","90","","1090.85","0.06","100","2","100","2","","","","","","","","5","I 1 2 1","I 2y","5","","Tetramethylammonium dichlorotriphenylplumbate","","- C22 H27 Cl2 N Pb -","- C22 H27 Cl2 N Pb -","- C44 H54 Cl4 N2 Pb2 -","2","0.5","YA6026","Howie, R. Alan; .; Wardell, James L.","Tetramethylammonium dichlorotriphenylplumbate","Acta Crystallographica Section E","2001","57","6","m256","m258","10.1107/S1600536801008273","","","0.71073","MoKα","","0.032","0.031","","","","0.079","","","","","","1.08","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00","" "2200372","15.4413","0.0003","10.9988","0.0003","9.5699","0.0002","90","","90","","90","","1625.31","0.06","291","1","291","1","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C19 H18 N2 O -","- C19 H18 N2 O -","- C76 H72 N8 O4 -","4","1","YA6027","Kolev, Tsonko; Glavcheva, Zornitza; Yancheva, Denitsa; Schürmann, Markus; Kleb, Dirk-Christian; Preut, Hans; Bleckmann, Paul","2-{3-[2-(4-Hydroxyphenyl)vinyl]-5,5-dimethylcyclohex-2-en-1-ylidene}malononitrile","Acta Crystallographica Section E","2001","57","6","o561","o562","10.1107/S1600536801008480","","","0.71073","MoKα","","0.077","0.039","","","","0.095","","","","","","0.99","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00","" "2200373","8.0692","0.0005","9.5398","0.0006","7.7245","0.0004","90","","111.6","0.001","90","","552.86","0.06","273","2","273","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Tin(II) oxalate potassium fluoride","","- C2 F K O4 Sn -","- C2 F K O4 Sn -","- C8 F4 K4 O16 Sn4 -","4","1","BR6015","Salami, Tolulope O.; Zavalij, Peter Y.; Oliver, Scott R. J.","BING-2: a layered tin‒oxalate potassium fluoride, KSn(C~2~O~4~)F","Acta Crystallographica Section E","2001","57","7","i49","i51","10.1107/S1600536801008959","","","0.71073","MoKα","","0.0331","0.0254","","","","0.0592","","","","","","1.059","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00","" "2200374","15.1416","0.0018","11.1843","0.0012","4.90256","","90","","108.117","0.005","90","","789.06","0.16","293","","","","","","","","","","","4","C 1 2/m 1","-C 2y","12","","","","- Al10 O20 Si Sr3 -","- Al10 O20 Si Sr3 -","- Al20 O40 Si2 Sr6 -","2","0.25","","Kubota, Shunichi; Hisanori, Yamane; Masahiko, Shimada","A powder diffraction study of Sr~3~Al~10~SiO~20~","Acta Crystallographica, Section E","2001","57","","i60","i61","10.1107/S1600536801007346","","","","","","","","","","","","","","","","","","","","","has coordinates","282068","2023-03-26","10:12:33","" "2200375","5.947","0.001","21.574","0.002","7.526","0.001","90","","103.82","0.01","90","","937.6","0.2","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Sodium thiosulfate pentahydrate","Sodium thiosulfate pentahydrate","","- H10 Na2 O8 S2 -","- H10 Na2 O8 S2 -","- H40 Na8 O32 S8 -","4","1","BR6018","Prasad, Satya Murti; Rani, Asha","Rerefinement of sodium thiosulfate pentahydrate","Acta Crystallographica Section E","2001","57","8","i67","i69","10.1107/S1600536801011175","","","0.71073","MoKα","","0.0223","0.0218","","0.0605","","0.0604","","","1.072","","","1.086","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00","" "2200376","6.719","0.001","18.024","0.001","10.826","0.002","90","","90","","90","","1311.1","0.3","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","Potassium Silver Thiocyanate","","","- C2 Ag K N2 S2 -","- C2 Ag K N2 S2 -","- C16 Ag8 K8 N16 S16 -","8","1","BR6023","Valkonen, Jussi; Günes, Minna","Potassium silver thiocyanate","Acta Crystallographica Section E","2001","57","7","i52","i54","10.1107/S1600536801009679","","","0.71073","MoKα","","0.0924","0.0362","","","","0.0953","","","","","","1.002","","","","has coordinates","176774","2020-10-21","18:00:00","" "2200377","6.524","0.001","6.591","0.001","8.205","0.002","90","","108.29","0.03","90","","334.99","0.12","100","2","100","2","","","","","","","","3","P 1 21/m 1","-P 2yb","11","","Europiumtetrathiosilicate(IV)","","- Eu2 S4 Si -","- Eu2 S4 Si -","- Eu4 S8 Si2 -","2","0.5","BR6024","Johrendt, Dirk; Pocha, Regina","Europium thiosilicate at 100K","Acta Crystallographica Section E","2001","57","7","i57","i59","10.1107/S1600536801010376","","","0.71073","MoKα","","0.0529","0.0445","","","","0.0715","","","","","","1.131","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00","" "2200378","3.7527","0.0005","5.7581","0.0009","11.313","0.002","90","","90","","90","","244.46","0.07","293","","","","","","","","","","","5","I m m m","-I 2 2","71","","","","- Ba Ca0.1 Ni O5 Y1.9 -","- Ba Ca0.098 Ni O5 Y1.902 -","- Ba2 Ca0.196 Ni2 O10 Y3.804 -","2","0.125","BR6025","Lannuzel, François-Xavier; Boucher, Florent; Boucher, Christophe","Charge-doped nickel oxide, Y~1.90~Ca~0.10~BaNiO~5~","Acta Crystallographica, Section E: Structure Reports Online","2001","57","8","i70","i71","10.1107/S1600536801011667","","","0.71069","MoKα","","0.0183","0.0156","","","","0.0419","","","","","","1","","","","has coordinates","210922","2020-10-21","18:00:00","" "2200379","15.878","0.001","15.878","0.001","15.878","0.001","90","","90","","90","","4003","0.4","293","2","150","2","","","","","","","","3","F -4 3 m","F -4 2 3","216","","barium palladium oxide","","- Ba2.125 O0.422 Pd -","- Ba2.125 O0.42 Pd -","- Ba68 O13.44 Pd32 -","32","0.333333","BR6026","Mårtensson, Malin; Wikstad, Emma; Blomqvist, Helen; Kritikos, Mikael; Eriksson, Lars","Ba~68~Pd~32~O~x~, with x ≃13.5","Acta Crystallographica Section E","2001","57","8","i64","i66","10.1107/S1600536801010935","","","0.71073","MoKα","","0.0497","0.0288","","","","0.0415","","","","","","1.161","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00","" "2200380","7.9362","0.0003","8.522","0.0003","9.1762","0.0004","90","","90","","90","","620.61","0.04","120","","120","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- B H4 Li O4 -","- B H4 Li O4 -","- B8 H32 Li8 O32 -","8","1","","Fronczek, Frank R.; Aubry, David A.; Stanley, George G.","Refinement of lithium tetrahydroxoborate with low-temperature CCD data","Acta Crystallographica, Section E","2001","57","","i62","i63","10.1107/S1600536801011163","","","","","","","","","","","","","","","","","","","","","has coordinates","282068","2023-03-26","10:12:33","" "2200381","8.818","0.001","8.818","0.001","8.818","0.001","90","","90","","90","","685.66","0.13","293","2","293","2","","","","","","","","3","P m -3 m","-P 4 2 3","221","","","","- Ce2 Rh15 Si7 -","- Ce2 Rh15 Si7 -","- Ce4 Rh30 Si14 -","2","0.0416667","BT6041","Tursina, Anna I.; Gribanov, Alexandr V.; Seropegin, Yuri D.","The new ternary compound Ce~2~Rh~15~Si~7~","Acta Crystallographica Section E","2001","57","7","i55","i56","10.1107/S1600536801008431","","","0.71073","MoKα","","0.0763","0.0473","","","","0.1482","","","","","","0.856","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00","" "2200382","7.4943","0.0009","14.566","0.0017","10.8812","0.0013","90","","105.655","0.002","90","","1143.8","0.2","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","μ-oxalato-bis[(isocyanato-N)(tetramethylethylenediamine)copper(II)]","","- C16 H32 Cu2 N6 O6 -","- C16 H32 Cu2 N6 O6 -","- C32 H64 Cu4 N12 O12 -","2","0.5","BT6045","Jack Cheng; Fen-Ling Liao; Tian-Huey Lu; Partha S. Mukherjee; Tapas K.Maji; N. Ray Chaudhuri","An oxalato-bridged copper(II) complex","Acta Crystallographica Section E","2001","57","7","m263","m264","10.1107/S1600536801007814","","","0.71073","MoKα","","0.0487","0.0394","","","","0.0897","","","","","","1.16","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00","" "2200383","9.669","0.005","17.063","0.009","17.875","0.01","90","","90","","90","","2949","3","298","2","","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Ethyl 1-phenyl-3-sulfanyl-5-(4H-1,2,4-triazol-4-yl)pyrazole-4-carboxylate","","- C15 H15 N5 O2 S -","- C15 H15 N5 O2 S -","- C120 H120 N40 O16 S8 -","8","1","BT6051","Wei-Qiang Chen; Miao Du; Lin-Hong Weng; Gui-Yu Jin","Ethyl 1-phenyl-3-sulfanyl-5-(4H-1,2,4-triazol-4-yl)pyrazole-4-carboxylate","Acta Crystallographica Section E","2001","57","7","o619","o621","10.1107/S1600536801010091","","","0.71073","MoKα","","0.0611","0.038","","","","0.1106","","","","","","1.007","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00","" "2200384","12.675","0.002","18.259","0.003","22.864","0.004","89.15","0.02","87.73","0.02","77.31","0.02","5158.1","1.5","180","2","180","2","","","","","","","","5","P -1","-P 1","2","","cis-Dicarbonylbis[1,2-ethanediylbis(diphenylphosphine)-P,P']tungsten(0) benzene sesquisolvate","","- C63 H57 O2 P4 W -","- C63 H57 O2 P4 W -","- C252 H228 O8 P16 W4 -","4","2","BT6052","Filippou, Alexander, C.; Philippopoulos, Athanassios, I.; Ziemer, Burkhard","cis-Dicarbonylbis[1,2-ethanediylbis(diphenylphosphine)-P,P']tungsten(0) benzene sesquisolvate","Acta Crystallographica Section E","2001","57","8","m338","m340","10.1107/S1600536801010893","","","0.71073","MoKα","","0.0295","0.0221","","","","0.0534","","","","","","0.938","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00","" "2200385","8.626","0.002","9.924","0.003","5.179","0.001","90","","103.719","0.009","90","","430.7","0.18","293","2","21","2","","","","","","","","4","P 1 21 1","P 2yb","4","cyclo(analine-4-hydroxyproline)","2-hydroxy-6-methyl-1,2,3,5,6,7,8,8a-octahydro-7-azaindolizine-5,8-dione","","- C8 H12 N2 O3 -","- C8 H12 N2 O3 -","- C16 H24 N4 O6 -","2","1","BT6054","Pavkovic, Stephen F.; Zerkowski, Jonathan A.; Zeng, Qi","Cyclo(alanine-4-hydroxyproline)","Acta Crystallographica Section E","2001","57","8","o798","o799","10.1107/S1600536801012636","","","0.7107","MoKα","","0.0562","0.04","","","","0.096","","","","","","0.989","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00","" "2200386","7.9814","0.001","8.2719","0.001","12.168","0.003","91.779","0.018","106.668","0.014","111.018","0.01","710.3","0.2","294","2","294","2","","","","","","","","4","P -1","-P 1","2","","","","- C14 H18 N4 O2 -","- C14 H18 N4 O2 -","- C28 H36 N8 O4 -","2","1","BT6055","Hökelek, Tuncer; Batı, Hümeyra; Bekdemir, Yunus; Kütük, Halil","2,3-Dimethylquinoxaline‒dimethylglyoxime (1/1)","Acta Crystallographica Section E","2001","57","8","o663","o665","10.1107/S1600536801010765","","","0.71073","MoKα","","0.0627","0.0458","","","","0.1332","","","","","","1.084","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00","" "2200387","13.2","0.002","13.2","0.002","18.874","0.005","90","","90","","120","","2848","1","210","2","210","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- C18 H24.15 N4 O6.075 -","- C18 H24.15 N4 O6.075 -","- C108 H144.9 N24 O36.45 -","6","0.333333","BT6057","Blake, Alexander J.; Doble, Dan M. J.; Li, Wan-Sheung; Schröder, Martin","Tris(2-succinimidoethyl)amine hydrate (1/0.075)","Acta Crystallographica Section E","2001","57","8","o690","o691","10.1107/S1600536801011047","","","0.71073","MoKα","","0.125","0.071","","","","0.144","","","","","","1.28","","","","has coordinates,has Fobs","194389","2020-10-21","18:00:00","" "2200388","19.846","0.004","10.653","0.002","10.469","0.002","90","","90","","90","","2213.4","0.7","100","2","","","","","","","","","","5","P m n 21","P 2ac -2","31","","","","- C45 H64 Cl2 F N5 -","- C45 H64 Cl2 F N5 -","- C90 H128 Cl4 F2 N10 -","2","0.5","BT6058","Camiolo, Salvatore; Coles, Simon J.; Gale, Philip A.; Hursthouse, Michael B.; Sessler, Jonathan L.","Tetrabutylammonium meso-octamethylcalix[4]pyrrole fluoride dichloromethane solvate","Acta Crystallographica Section E","2001","57","9","o816","o818","10.1107/S1600536801012880","","","0.71073","MoKα","","","0.0744","","","","0.2158","","","","","","1.091","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00","" "2200389","21.7299","0.0004","21.3998","0.0004","17.088","0.0004","90","","91.318","0.003","90","","7944.1","0.3","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Tetrabutylammonium sulfate","","- C16 H37 N O4 S -","- C16 H37 N O4 S -","- C256 H592 N16 O64 S16 -","16","4","BT6059","Light, Mark E.; Gale, Philip A.; Hursthouse, Michael B.","Anion‒anion dimerization in tetrabutylammonium hydrogensulfate","Acta Crystallographica Section E","2001","57","8","o705","o706","10.1107/S1600536801011321","","","0.71073","MoKα","","0.1357","0.0735","","","","0.2372","","","","","","1.023","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00","" "2200390","16.1733","0.0003","17.8443","0.0003","26.7","0.0005","77.52","0.003","77.237","0.003","83.124","0.003","7316.7","0.3","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","Tetrabutylammonium dihydrogenphosphate dichloromethane solvate","","- C17.33 H40.67 Cl2.67 N O4 P -","- C17.3333 H40.6667 Cl2.66667 N O4 P -","- C208 H488 Cl32 N12 O48 P12 -","12","6","BT6060","Light, Mark E.; Camiolo, Salvatore; Gale, Philip A.; Hursthouse, Michael B.","Anion‒anion one-dimensional chain formation within cationic channels in tetrabutylammonium dihydrogenphosphate dichloromethane solvate","Acta Crystallographica Section E","2001","57","8","o727","o729","10.1107/S1600536801011746","","","0.71073","MoKα","","0.2697","0.156","","","","0.3933","","","","","","1.93","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00","" "2200391","10.281","0.003","10.281","0.003","14.788","0.006","90","","90","","120","","1353.7","0.8","293","2","293","2","","","","","","","","5","P 3","P 3","143","Bis(DL-Methioninium)sulfate","Bis(DL-Methioninium)sulfate","","- C10 H24 N2 O8 S3 -","- C10 H24 N2 O8 S3 -","- C30 H72 N6 O24 S9 -","3","1","BT6061","N. Srinivasan; B. Sridhar; R. K. Rajaram","Bis(DL-methioninium) sulfate","Acta Crystallographica Section E","2001","57","8","o746","o748","10.1107/S1600536801012016","","","1.5418","CuKα","","0.054","0.0507","","","","0.1473","","","","","","1.09","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00","" "2200392","7.4962","0.0007","9.5511","0.0009","11.4013","0.0011","79.039","0.002","76.866","0.002","76.886","0.002","765.9","0.13","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","2-[(2-Chlorophenyl)iminomethyl]-4,6-dimethylquinoline","","- C18 H15 Cl N2 -","- C18 H15 Cl N2 -","- C36 H30 Cl2 N4 -","2","1","BT6063","Sema Öztürk; Mehmet Akkurt; Feray Aydog̃an","2-[(2-Chlorophenyl)iminomethyl]-4,6-dimethylquinoline","Acta Crystallographica Section E","2001","57","8","o730","o732","10.1107/S1600536801011771","","","0.71073","MoKα","","0.1607","0.0705","","","","0.2171","","","","","","0.976","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00","" "2200393","8.816","0.003","14.965","0.004","15.936","0.005","90","","104.122","0.006","90","","2038.9","1.1","294","2","294","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","N,N'-Di-2-naphthylpyridine-2,6-dicarboxamide","","- C27 H19 N3 O2 -","- C27 H19 N3 O2 -","- C108 H76 N12 O8 -","4","1","BT6064","Qi, Jianying; Zhou, Zhongyuan; Chan, Albert S. C.","N,N'-Di-2-naphthylpyridine-2,6-dicarboxamide","Acta Crystallographica Section E","2001","57","8","o749","o750","10.1107/S1600536801012028","","","0.71073","MoKα","","0.1714","0.0436","","","","0.1053","","","","","","0.753","","","","has coordinates","201973","2020-10-21","18:00:00","" "2200394","9.078","0.002","5.928","0.002","10.7711","0.0018","90","","98.998","0.017","90","","572.5","0.3","298","","298","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C10 H8 Cl N3 O4 -","- C10 H8 Cl N3 O4 -","- C20 H16 Cl2 N6 O8 -","2","1","BT6065","Ishida, Hiroyuki; Rahman, Bilkish; Kashino, Setsuo","Imidazolium 2-chloro-4-nitrobenzoate","Acta Crystallographica Section E","2001","57","8","o744","o745","10.1107/S1600536801011977","","","0.71073","MoKα","","0.05","0.032","","","","0.076","","","","","","1.04","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00","" "2200395","17.689","0.004","5.661","0.0011","17.328","0.004","90","","112.3","0.03","90","","1605.4","0.7","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","Glycinium maleate","","- C6 H9 N O6 -","- C6 H9 N O6 -","- C48 H72 N8 O48 -","8","1","BT6066","Rajagopal, K.; Krishnakumar, R. V.; Mostad, A.; Natarajan, S.","Glycinium maleate","Acta Crystallographica Section E","2001","57","8","o751","o753","10.1107/S1600536801012168","","","0.71073","MoKα","","0.0309","0.0292","","","","0.0824","","","","","","1.11","","","","has coordinates","201973","2020-10-21","18:00:00","" "2200396","17.191","0.003","7.308","0.001","17.843","0.005","90","","104.94","0.03","90","","2165.9","0.8","293","2","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","[bis(2-pyridyl)amine-N,N'](nitrato-O,O')cobalt(II) nitrate","","- C20 H18 Co N8 O6 -","- C20 H18 Co N8 O6 -","- C80 H72 Co4 N32 O24 -","4","1","BT6068","Castillo, Oscar; Luque, Antonio; De la Pinta, Noelia; Román, Pascual","Bis[bis(2-pyridyl)amine-N,N'](nitrato-O,O')cobalt(II) nitrate","Acta Crystallographica Section E","2001","57","9","m384","m386","10.1107/S1600536801012909","","","0.71073","MoKα","","0.0651","0.034","","","","0.0785","","","","","","1.04","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00","" "2200397","15.1655","0.0006","15.1655","0.0006","11.0678","0.0007","90","","90","","120","","2204.48","0.19","100","2","100","2","","","","","","","","4","R -3 m :H","-R 3 2""","166","","Tetraaquadihydroxohexarheniumoctaselenium dodecahydrate","","- H34 O18 Re6 Se8 -","- O18 Re6 Se8 -","- O54 Re18 Se24 -","3","0.0833333","BT6069","Zheng, Zhiping; Selby, Hugh D.; Roland, Bryan K.","The first `hexaaqua-' complex of the [Re~6~Se~8~]^2+^ cluster core, [Re~6~Se~8~(OH)~2~(H~2~O)~4~]·12H~2~O","Acta Crystallographica, Section E: Structure Reports Online","2001","57","9","i77","i79","10.1107/S1600536801013241","","","0.71073","MoKα","","0.049","0.0267","","","","0.0683","","","","","","1.141","","","","has coordinates,has Fobs","210921","2020-10-21","18:00:00","" "2200398","7.6801","0.0019","13.235","0.003","8.078","0.0016","90","","107.69","0.016","90","","782.3","0.3","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","ammonium zinc phosphate","","","- H7 N O8 P2 Zn -","- H7 N O8 P2 Zn -","- H28 N4 O32 P8 Zn4 -","4","1","BT6071","Harrison, William T. A.","Ammonium zinc phosphate, (NH~4~)Zn(HPO~4~)(H~2~PO~4~)","Acta Crystallographica Section E","2001","57","9","i72","i74","10.1107/S1600536801013010","","","0.71073","MoKα","","0.042","0.0307","","","","0.0745","","","","","","1.069","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00","" "2200399","9.2198","0.0019","10.3158","0.0014","10.7956","0.0011","112.511","0.009","96.598","0.01","93.007","0.01","937","0.3","146","2","146","2","","","","","","","","7","P -1","-P 1","2","","2,2'-bipyridyl-9-boroniumbicyclo[3.3.1]nonane trifluoromethanesulfonate","","- C19 H22 B F3 N2 O3 S -","- C19 H22 B F3 N2 O3 S -","- C38 H44 B2 F6 N4 O6 S2 -","2","1","BT6072","Ma, Kuangbiao; Bats, Jan W.; Wagner, Matthias","(2,2'-Bipyridyl-N,N')(bicyclo[3.3.1]nonane-C^1^,C^5^)boronium trifluoromethanesulfonate","Acta Crystallographica Section E","2001","57","9","o846","o848","10.1107/S1600536801013083","","","0.71073","MoKα","","0.0537","0.0379","","","","0.0975","","","","","","1.087","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00","" "2200400","7.224","0.003","15.38","0.006","12.204","0.005","90","","103.48","0.04","90","","1318.6","1","160","2","160","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Bis[μ-1-(2,4,6-trimethylphenyl)ethanolato-O:O]bis(dimethylaluminium)","","- C26 H42 Al2 O2 -","- C26 H42 Al2 O2 -","- C52 H84 Al4 O4 -","2","0.5","BT6073","Clegg, William; Henderson, Kenneth W.; Rakov, Igor M.","Bis[μ-1-(2,4,6-trimethylphenyl)ethanolato-O:O]bis(dimethylaluminium)","Acta Crystallographica Section E","2001","57","9","m387","m389","10.1107/S1600536801013095","","","1.54184","CuKα","","0.0832","0.0765","","","","0.2165","","","","","","1.048","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00","" "2200401","4.2374","0.0003","4.2374","0.0003","8.8","0.002","90","","90","","90","","158","0.04","293","2","293","2","","","","","","","","3","P 4/n m m :2","-P 4a 2a","129","","","","- F I Pb -","- F I Pb -","- F2 I2 Pb2 -","2","0.125","","Weil, Matthias; Kubel, Frank","Matlockite-type PbFI","Acta Crystallographica, Section E","2001","57","","i80","i81","10.1107/S1600536801013678","","","","","","","","","","","","","","","","","","","","","has coordinates","282068","2023-03-26","10:12:33","" "2200402","4.933","0.0003","8.9074","0.0005","14.8407","0.0008","90","","94.751","0.001","90","","649.86","0.06","183","2","183","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Hexamethylenediammonium hydrogenphosphite","","- C6 H22 N2 O6 P2 -","- C6 H22 N2 O6 P2 -","- C12 H44 N4 O12 P4 -","2","0.5","BT6077","Mahmoudkhani, Amir H.; Langer, Vratislav","Pillared layered hydrogen-bonded network in hexamethylenediammonium hydrogenphosphite","Acta Crystallographica Section E","2001","57","9","o866","o868","10.1107/S1600536801013587","","","0.71073","MoKα","","0.0576","0.0426","","","","0.1173","","","","","","1.042","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00","" "2200403","6.9944","0.001","5.8925","0.0008","8.2495","0.0011","90","","90","","90","","340","0.08","299","2","299","2","","","","","","","","4","P n m a","-P 2ac 2n","62","lead gallium borate","","","- B Ga O4 Pb -","- B Ga O4 Pb -","- B4 Ga4 O16 Pb4 -","4","0.5","","Park, Hyunsoo; Jacques Barbier","PbGaBO~4~, an orthoborate with a new structure-type","Acta Crystallographica, Section E","2001","57","","i82","i84","10.1107/S1600536801013940","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00","" "2200404","8.52","0.001","15.97","0.002","9.67","0.001","90","","110.77","0.01","90","","1230.2","0.3","130","2","130","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","4,4'-Bipyridine-2,2'-dicarboxylic acid dihydrate","","- C12 H12 N2 O6 -","- C12 H12 N2 O6 -","- C48 H48 N8 O24 -","4","1","BT6080","Bond, Andrew D.; Feeder, Neil; Redman, James E.; Sanders, Jeremy K. M.","4,4'-Bipyridine-3,3'-dicarboxylic acid dihydrate","Acta Crystallographica Section E","2001","57","9","o869","o871","10.1107/S1600536801013939","","","0.71073","MoKα","","0.1032","0.0548","","","","0.1082","","","","","","0.941","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00","" "2200405","8.5512","0.0001","11.8172","0.0001","15.0854","0.0002","90","","90","","90","","1524.4","0.03","173","2","173","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","Nitrato(1,4,7-trimethyl-1,4,7-triazacyclononane)copper(II) perchlorate","Nitrato(1,4,7-trimethyl-1,4,7-triazacyclononane)copper(II) perchlorate","","- C9 H21 Cl Cu N4 O7 -","- C9 H21 Cl Cu N4 O7 -","- C36 H84 Cl4 Cu4 N16 O28 -","4","1","CF6061","Batten, Stuart R.; Spiccia, Leone; Templar, Claire E.","Nitrato(1,4,7-trimethyl-1,4,7-triazacyclononane)copper(II) perchlorate","Acta Crystallographica Section E","2001","57","7","m265","m266","10.1107/S1600536801008972","","","0.71073","MoKα","","0.0414","0.0371","","","","0.0917","","","","","","1.035","","","","has coordinates","176774","2020-10-21","18:00:00","" "2200406","10.394","0.002","10.493","0.003","20.265","0.004","76.03","0.02","79.83","0.02","72.21","0.02","2029.6","0.9","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","N(2)-Acetyl-1,3-diphenyl-1,2,3,4-tetrahydrobenzo[b]-1,6-naphthyridine","","- C26 H22 N2 O -","- C26 H22 N2 O -","- C104 H88 N8 O4 -","4","2","CF6062","Laavanya, Parthasarathi; Panchanatheswaran, Krishnaswamy; Sivakumar, Balasubramanian; Jeyaraman, Ramasubbu; Krause Bauer, Jeanette A.","N(6)-Acetyl-5,7-diphenyl-5,6,7,8-tetrahydrobenzo[b]-1,6-naphthyridine","Acta Crystallographica Section E","2001","57","7","o599","o601","10.1107/S1600536801009151","","","0.71069","MoKα","","0.1422","0.0554","","","","0.1667","","","","","","0.987","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00","" "2200407","12.551","0.002","12.551","0.002","40.418","0.005","90","","90","","90","","6367","1.6","293","2","293","2","","","","","","","","6","I 41/a :2","-I 4ad","88","[Bis(terpy)Cu(II)] 2ClO~4~ * H~2~O","Bis(2,2:6,2-terpyridine)copper(II) diperchlorate monohydrated","","- C30 H24 Cl2 Cu N6 O9 -","- C30 H24 Cl2 Cu N6 O9 -","- C240 H192 Cl16 Cu8 N48 O72 -","8","0.5","CF6064","Valdés-Martínez, Jesús; Toscano, Rubén A.; Salazar-Mendoza, Domingo","Bis(2,2':6',2''-terpyridine)copper(II) diperchlorate hemihydrate","Acta Crystallographica Section E","2001","57","8","m331","m332","10.1107/S160053680100900X","","","0.71073","MoKα","","0.1217","0.0629","","","","0.1905","","","","","","0.883","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00","" "2200408","14.9803","0.0007","15.0682","0.0008","22.6217","0.0012","90","","90","","90","","5106.3","0.5","293","2","293","2","","","","","","","","7","P n m a","-P 2ac 2n","62","","tetradimethylammonium hexahydroxytriacontaoxo- (tetraoxophosphato)dodecamolybdate dichloride","","- C8 H44 Cl2 Mo12 N4 O44 P -","- C8 H24 Cl2 Mo12 N4 O44 P -","- C32 H96 Cl8 Mo48 N16 O176 P4 -","4","0.5","CF6065","Wu, Chuan-De; Lu, Can-Zhong; Lin, Xiang; Yang, Wen-Bin; Zhuang, Hong-Hui; Huang, Jin-Shun","[(CH~3~)~2~NH~2~]~4~[H~4~PMo~12~O~40~]Cl~2~·4H~2~O","Acta Crystallographica Section E","2001","57","9","m390","m392","10.1107/S1600536801010467","","","0.71073","MoKα","","0.0449","0.0338","","","","0.0898","","","","","","1.103","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00","" "2200409","9.891","0.002","15.443","0.001","20.664","0.002","90","","90","","90","","3156.4","0.7","296.2","","","","","","","","","","","6","P b c m","-P 2c 2b","57","","","","- C26 H24 Cd2 Cl2 N4 O9 -","- C26 H18 Cd2 Cl2 N4 O9 -","- C104 H72 Cd8 Cl8 N16 O36 -","4","0.5","CF6068","Odoko, Mamiko; Isomoto, Noriko; Okabe, Nobuo","Di-μ-chloro-bis[(2-pyridinecarboxylato-N,O)(2-pyridinecarboxylic acid-N,O)cadmium(II)] ethanol solvate","Acta Crystallographica Section E","2001","57","8","m371","m372","10.1107/S1600536801011904","","","0.7107","MoKα","","","0.0352","","","","0.1059","","","","","","1.579","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00","" "2200410","9.029","0.0007","10.0804","0.0008","12.1751","0.001","72.031","0.002","81.913","0.002","89.545","0.002","1042.86","0.14","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","trans-2-(2-hydroxyphenyl)-cyclohexanol","","- C12 H16 O2 -","- C12 H16 O2 -","- C48 H64 O8 -","4","2","CF6070","Kandasamy Chinnakali; Thangavel Ravishankar; Kamaraj Sriraghavan; Ibrahim Abdul Razak; Hoong-Kun Fun; Suchada Chantrapromma; Vayalakkavoor T.Ramakrishnan","trans-2-(2-Hydroxyphenyl)cyclohexanol","Acta Crystallographica Section E","2001","57","7","o659","o660","10.1107/S160053680101056X","","","0.71073","MoKα","","0.1289","0.0778","","","","0.2227","","","","","","0.961","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00","" "2200411","8.978","0.001","11.073","0.002","7.2349","0.0007","106.25","0.01","107.399","0.009","78.47","0.01","653.6","0.16","296.2","","","","","","","","","","","5","P -1","-P 1","2","","","","- C24 H32 N2 Ni O10 -","- C24 H32 N2 Ni O10 -","- C24 H32 N2 Ni O10 -","1","0.5","CF6071","Odoko, Mamiko; Muranishi, Yasunori; Okabe, Nobuo","trans-Diaquabis(quinoline-2-carboxylato-N,O)nickel(II)‒water‒ethanol (1/2/2)","Acta Crystallographica Section E","2001","57","7","m267","m269","10.1107/S1600536801009138","","","0.7107","MoKα","","","0.0333","","","","0.1183","","","","","","1.026","","","","has coordinates","176774","2020-10-21","18:00:00","" "2200412","6.345","0.004","11.353","0.008","11.838","0.008","90","","95.684","0.016","90","","848.6","1","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Bis(4-aminopyridinium) 2,5-dioxidobenzoquinone dihydrate","","- C16 H20 N4 O6 -","- C16 H20 N4 O6 -","- C32 H40 N8 O12 -","2","0.5","CF6075","Cowan, John A.; Howard, Judith A. K.; Leech, Michael A.; Williams, Ian D.","Bis(4-aminopyridinium) 2,5-dioxidobenzoquinone dihydrate","Acta Crystallographica Section E","2001","57","7","o563","o565","10.1107/S1600536801009011","","","0.71073","MoKα","","0.0919","0.068","","","","0.1482","","","","","","1.659","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00","" "2200413","9.7545","0.0006","12.0427","0.0009","13.5242","0.0018","90","","90","","90","","1588.7","0.3","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","3-amino-4H-pyrido[2,3-e]-1,2,4-thiadiazine 1,1-dioxide","","- C6 H6 N4 O2 S -","- C6 H6 N4 O2 S -","- C48 H48 N32 O16 S8 -","8","1","CF6076","Dupont, Léon; De Tullio, Pascal; Boverie, Stéphane; Pirotte, Bernard","3-Amino-4H-pyrido[2,3-e]-1,2,4-thiadiazine 1,1-dioxide","Acta Crystallographica Section E","2001","57","7","o602","o603","10.1107/S1600536801009904","","","1.5418","CuKα","","0.0459","0.0316","","","","0.0895","","","","","","0.956","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00","" "2200414","26.655","0.005","18.004","0.003","12.623","0.002","90","","91.972","0.003","90","","6054.1","1.8","150","2","150","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","2-(2,6-Diisopropylphenylamino)-4-(2,6-diisopropylphenylimino)-2-pentene","","- C32.5 H46 N2 -","- C29 H42 N2 -","- C232 H336 N16 -","8","1","CF6079","Bailey, Philip J.; Liddle, Stephen T.; Parsons, Simon","2-(2,6-Diisopropylphenylamino)-4-(2,6-diisopropylphenylimino)-2-pentene toluene hemisolvate at 150K","Acta Crystallographica Section E","2001","57","7","o661","o662","10.1107/S1600536801009163","","","0.71073","MoKα","","0.0676","0.0596","","","","0.1408","","","","","","1.139","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00","" "2200415","7.323","0.003","26.98","0.004","6.897","0.004","90","","90","","90","","1362.7","1","296","","296","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","2,5-Diphenyl-3,6-dihydroxy-1,4-benzoquinone","","- C18 H12 O4 -","- C18 H12 O4 -","- C72 H48 O16 -","4","0.5","CF6080","Cohen, Peter A.; Robinson, Paul D.","2,5-Diphenyl-3,6-dihydroxy-1,4-benzoquinone (polyporic acid)","Acta Crystallographica Section E","2001","57","7","o596","o598","10.1107/S160053680100914X","","","0.71069","MoKα","","0.068","0.035","","","","0.11","","","","","","1.019","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00","" "2200416","14.15","0.01","3.622","0.009","15.028","0.01","90","","97.52","0.07","90","","764","2","296.2","","","","","","","","","","","3","P 1 2/n 1","-P 2yac","13","","","","- C7 H8 O6 -","- C7 H8 O6 -","- C28 H32 O24 -","4","1","CF6081","Okabe, Nobuo; Kyoyama, Hasuyo; Suzuki, Misato","Gallic acid monohydrate","Acta Crystallographica Section E","2001","57","8","o764","o766","10.1107/S1600536801012041","","","0.7107","MoKα","","","0.0492","","","","0.1875","","","","","","0.907","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00","" "2200417","5.7159","0.0008","15.8498","0.0014","8.4139","0.0007","90","","101.041","0.007","90","","748.16","0.14","294","2","294","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","2,6-diamino-3,5-dinitro-1,4-pyrazine 1-oxide","2,6-diamino-3,5-dinitro-1,4-pyrazine-1-oxide","","- C4 H4 N6 O5 -","- C4 H4 N6 O5 -","- C16 H16 N24 O20 -","4","1","CF6082","Gilardi, Richard D.; Butcher, Ray J.","2,6-Diamino-3,5-dinitro-1,4-pyrazine 1-oxide","Acta Crystallographica Section E","2001","57","7","o657","o658","10.1107/S1600536801010352","","","0.71073","MoKα","","0.0694","0.0399","","","","0.0974","","","","","","1.011","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00","" "2200418","7.0265","0.0004","18.9749","0.001","7.1157","0.0004","90","","90","","90","","948.72","0.09","100","1","100","1","","","","","","","","5","P c a 21","P 2c -2ac","29","","Potassium (E)-2-Phenyl-1-ethenyltrifluoroborate","","- C8 H7 B F3 K -","- C8 H7 B F3 K -","- C32 H28 B4 F12 K4 -","4","1","CF6083","Thadani, Avinash N.; Batey, Robert A.; Smil, David V.; Lough, Alan J.","Potassium trifluoro[(E)-2-phenyl-1-ethenyl]borate","Acta Crystallographica Section E","2001","57","8","m333","m334","10.1107/S1600536801010169","","","0.71073","MoKα","","0.0291","0.0259","","","","0.0667","","","","","","1.059","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00","" "2200419","8.0692","0.0006","18.5615","0.0013","12.1622","0.0009","90","","102.061","0.001","90","","1781.4","0.2","296","2","296","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","Pinoresinol","","","- C20 H22 O6 -","- C20 H20.218 O6 -","- C80 H80.872 O24 -","4","1","CF6084","Stomberg, Rolf; Langer, Vratislav; Li, Shiming; Lundquist, Knut","The racemate of pinoresinol","Acta Crystallographica Section E","2001","57","8","o692","o694","10.1107/S1600536801011084","","","0.71073","MoKα","","0.0759","0.0461","","","","0.1461","","","","","","0.997","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00","" "2200420","12.6506","0.0006","10.1894","0.0005","19.8565","0.0012","90","","107.16","0.005","90","","2445.6","0.2","293","","","","","","","","","","","4","P 1 c 1","P -2yc","7","","","","- C14 H13 N O3 -","- C14 H13 N O3 -","- C112 H104 N8 O24 -","8","4","","Héctor Novoa de Armas; Peeters, Oswald M.; Blaton, Norbert M.; De Ranter, Camiel J.; Xuárez Marill, Lisbet","2-(4-Methoxyphenyl)aminobenzoic acid","Acta Crystallographica, Section E","2001","57","","o638","o640","10.1107/S1600536801010364","","","","","","","","","","","","","","","","","","","","","has coordinates","201973","2020-10-21","18:00:00","" "2200421","20.137","0.004","10.572","0.005","21.81","0.006","90","","103.71","0.01","90","","4511","3","295","2","295","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C23 H24 Cl2 Fe N2 Pt -","- C23 H24 Cl2 Fe N2 Pt -","- C184 H192 Cl16 Fe8 N16 Pt8 -","8","2","CF6086","Blake, Alexander J.; Osborne, Anthony G.; Hollands, Ronald E.","fac-(2,2'-Bipyridine)(1,1'-dichloroferrocen-2-yl)trimethylplatinum(IV)","Acta Crystallographica Section E","2001","57","7","m318","m319","10.1107/S1600536801010170","","","0.71073","MoKα","","0.072","0.061","","","","0.168","","","","","","1.08","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00","" "2200422","15.4741","0.0005","15.0135","0.0005","14.0407","0.0005","90","","115.018","0.001","90","","2955.89","0.17","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","bis(pyridine-N)mercury(II) dichromate(VI)","","- C10 H10 Cr2 Hg N2 O7 -","- C10 H10 Cr2 Hg N2 O7 -","- C80 H80 Cr16 Hg8 N16 O56 -","8","1","CF6087","Matthias Weil","[Hg(pyridine)~2~][Cr~2~O~7~], a compound used for a quick assay method to quantify soluble Hg^II^ ions","Acta Crystallographica Section E","2001","57","7","m322","m324","10.1107/S1600536801010455","","","0.71073","MoKα","","0.0241","0.0178","","","","0.0458","","","","","","1.208","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00","" "2200423","9.931","0.0002","15.545","0.0004","17.923","0.0005","87.499","0.0014","87.935","0.0017","75.334","0.0016","2673.31","0.12","150","1","150","1","","","","","","","","6","P -1","-P 1","2","","Tetra-n-butylammonium Ferrocenyltrifluoroborate","","- C26 H45 B F3 Fe N -","- C26 H45 B F3 Fe N -","- C104 H180 B4 F12 Fe4 N4 -","4","2","CF6088","Quach, Tan D.; Batey, Robert A.; Lough, Alan J.","Tetra-n-butylammonium ferrocenyltrifluoroborate","Acta Crystallographica Section E","2001","57","7","m320","m321","10.1107/S1600536801010261","","","0.7107","MoKα","","0.0877","0.048","","","","0.1226","","","","","","1.023","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00","" "2200424","5.768","0.002","17.702","0.003","17.823","0.004","90","","90","","90","","1819.8","0.8","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","3-(Diphenylphosphino)-N-phenylmethylene-1-propanamine","","- C22 H22 N P -","- C22 H22 N P -","- C88 H88 N4 P4 -","4","1","CF6089","Xie Tong; Li Yi-Zhi; Li Bang-Jing; Shi Ling; Wang Liu-Fang; Gao Shi-Yang; Liang Yong-Min","N-Benzylidene-3-(diphenylphosphino)-1-propanamine","Acta Crystallographica Section E","2001","57","9","o858","o859","10.1107/S160053680101203X","","","0.71073","MoKα","","0.0359","0.0313","","","","0.0989","","","","","","1.046","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00","" "2200425","13.5626","0.0006","17.1534","0.0007","20.3567","0.0007","90","","90","","90","","4735.9","0.3","150","1","150","1","","","","","","","","5","P b c n","-P 2n 2ab","60","","Tetra-n-butylammonium Phenyltrifluoroborate","","- C22 H41 B F3 N -","- C22 H41 B F3 N -","- C176 H328 B8 F24 N8 -","8","1","CF6090","Quach, Tan D.; Batey, Robert A.; Lough, Alan J.","Tetra-n-butylammonium phenyltrifluoroborate","Acta Crystallographica Section E","2001","57","8","o688","o689","10.1107/S1600536801010443","","","0.71073","MoKα","","0.0928","0.0513","","","","0.1299","","","","","","1.023","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00","" "2200426","8.1997","0.0003","18.2477","0.0006","8.8871","0.0003","90","","95.798","0.001","90","","1322.94","0.08","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","3,5-Dihydroxy-3,5-bis(trifluoromethyl)-1,2-dioxolane 1,4-dioxane","","- C9 H12 F6 O6 -","- C9 H12 F6 O6 -","- C36 H48 F24 O24 -","4","1","CF6091","Dickman, Michael H.","3,5-Dihydroxy-3,5-bis(trifluoromethyl)-1,2-dioxolane‒1,4-dioxane (1/1) at 173K","Acta Crystallographica Section E","2001","57","7","o636","o637","10.1107/S1600536801010340","","","0.71073","MoKα","","0.1047","0.0532","","","","0.1052","","","","","","1.037","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00","" "2200427","5.662","0.002","7.342","0.002","19.157","0.006","90","","94.48","0.03","90","","793.9","0.4","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","DL-alaninium oxalate","DL-alaninium oxalate","","- C5 H9 N O6 -","- C5 H9 N O6 -","- C20 H36 N4 O24 -","4","1","CF6092","M. Subha Nandhini; R. V. Krishnakumar; S. Natarajan","DL-Alaninium oxalate","Acta Crystallographica Section E","2001","57","8","o666","o668","10.1107/S1600536801010558","","","0.71073","Mokα","","0.0574","0.0443","","","","0.126","","","","","","1.123","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00","" "2200428","15.436","0.001","17.4317","0.0011","8.1756","0.0005","90","","91.195","0.001","90","","2199.4","0.2","298","2","298","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","di-μ-iodo-bis(1,4,7,10,13,16-hexaoxacyclooctadecanecaesium(I)) p-xylene solvate","","- C32 H58 Cs2 I2 O12 -","- C32 H58 Cs2 I2 O12 -","- C64 H116 Cs4 I4 O24 -","2","0.25","CF6095","Kim, Tae Ho; Park, Ki-Min; Lee, Shim Sung; Kim, Jae Sang; Kim, Jineun","The sandwich dimeric form of a Cs^I^ complex of 18-crown-6 with bridging iodide ions","Acta Crystallographica Section E","2001","57","8","m357","m358","10.1107/S1600536801011916","","","0.71073","MoKα","","0.0338","0.0283","","","","0.0753","","","","","","1.091","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00","" "2200429","10.155","0.005","13.586","0.005","14.972","0.008","80.55","0.05","73.07","0.04","85.4","0.05","1948.1","1.7","220","2","220","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H8 N2 O8 Re2 -","- C18 H8 N2 O8 Re2 -","- C72 H32 N8 O32 Re8 -","4","2","CF6096","Blake, Alexander J.; George, Michael W.; Little, Emma L.; Turner, James J.","2,2'-Bipyridine(octacarbonyl)dirhenium(Re‒Re)","Acta Crystallographica Section E","2001","57","8","m378","m379","10.1107/S1600536801011278","","","0.71073","MoKα","","0.056","0.046","","","","0.136","","","","","","1.11","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00","" "2200430","9.258","0.0005","10.9165","0.0006","16.4073","0.0008","90","","91.543","0.001","90","","1657.6","0.15","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Di-μ-hydroxo-bis[(1,1,4,7,7-pentamethyldiethylenetriamine)copper(II)] dibromide acetonitrile solvate","","- C22 H54 Br2 Cu2 N8 O2 -","- C22 H54 Br2 Cu2 N8 O2 -","- C44 H108 Br4 Cu4 N16 O4 -","2","0.5","CF6097","Kickelbick, Guido","A centrosymmetric hydroxo-bridged pentamethyldiethylenetriamine copper(II) complex, {[(pmdeta)Cu(OH)]~2~}^2+^·2Br^{-^}·2MeCN","Acta Crystallographica Section E","2001","57","8","m365","m367","10.1107/S1600536801011928","","","0.71073","MoKα","","0.0416","0.031","","","","0.0802","","","","","","1.068","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00","" "2200431","38.755","0.003","9.378","0.003","22.043","0.002","90","","108.19","0.03","90","","7611","3","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","Dichloro(2,2-diphenyl-4,4,6,6-tetrakis(3,5-dimethylpyrazol-1-yl)- cyclotriphosphazeneCobalt(II)","","","- C32 H38 Cl2 Co N11 P3 -","- C32 H38 Cl2 Co N11 P3 -","- C256 H304 Cl16 Co8 N88 P24 -","8","1","CF6098","Prabakaran, P.; Justin Thomas, K. R.; Thomas Muthiah, P.; Bocelli, G.; Righi, L.","Dichloro[2,2-diphenyl-4,4,6,6-tetrakis(3,5-dimethylpyrazol-1-yl)cyclotriphosphazene]cobalt(II)","Acta Crystallographica Section E","2001","57","9","m399","m401","10.1107/S1600536801013253","","","0.71069","MoKα","","0.1824","0.0482","","","","0.0738","","","","","","0.735","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00","" "2200432","8.374","0.005","12.762","0.01","14.381","0.009","98.08","0.06","90.12","0.05","107.44","0.05","1450.1","1.8","130","2","130","2","","","","","","","","6","P -1","-P 1","2","[Co(bpb)(Cl)(pyridine)]^.^2CHCl~3~","(chloroN,N'-bis(2'-pyridinecarboxamido)pyridinecobalt(III) 2-chloroform solvate","","- C25 H19 Cl7 Co N5 O2 -","- C25 H19 Cl7 Co N5 O2 -","- C50 H38 Cl14 Co2 N10 O4 -","2","1","CF6099","John M. Rowland; Marilyn M. Olmstead; Pradip K. Mascharak","Chloro[N,N'-o-phenylenebis(pyridine-2-carboxamido)]cobalt(III) chloroform disolvate","Acta Crystallographica Section E","2001","57","8","m368","m370","10.1107/S160053680101193X","","","1.54178","CuKα","","0.1529","0.0993","","","","0.2988","","","","","","1.025","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00","" "2200433","7.153","0.001","10.29","0.002","37.22","0.008","90","","90","","90","","2739.6","0.9","291","2","291","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","(2α,3α,5α,20S,22S)-2,3,5,14,20,20,24-Heptahydroxycholest-7-en-6-one monohydrate","","- C27 H46 O9 -","- C27 H46 O9 -","- C108 H184 O36 -","4","1","CF6101","Pan, Yuan-Jiang; Zhou, Hui; Shi, Hao; Lv, Shu-Ming; Jin, Zhi-Min","(2α,3α,5α,20S,22S)-2,3,5,14,20,20,24-Heptahydroxycholest-7-en-6-one monohydrate","Acta Crystallographica Section E","2001","57","9","o849","o851","10.1107/S1600536801013162","","","0.71073","MoKα","","0.0993","0.0407","","","","0.0643","","","","","","0.801","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00","" "2200434","9.2136","0.0002","10.2904","0.0003","10.9603","0.0003","68.119","0.001","80.83","0.001","75.083","0.001","929.47","0.04","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","1-Acetyl-7a'-phenyl-spiro[3H-indole-3,2'(2a'H)oxeto [2,3-b]benzofuran-2(1H)-one","","- C24 H17 N O4 -","- C24 H17 N O4 -","- C48 H34 N2 O8 -","2","1","CF6102","Usman, Anwar; Razak, Ibrahim Abdul; Fun, Hoong-Kun; Chantrapromma, Suchada; Xue, Jie; Xu, Jian-Hua","1-Acetyl-7a'-phenylspiro[3H-indole-3,2'(2a'H)-oxeto[2,3-b]benzofuran]-2(1H)-one","Acta Crystallographica Section E","2001","57","9","o852","o854","10.1107/S1600536801013125","","","0.71073","MoKα","","0.0883","0.0644","","","","0.1686","","","","","","0.938","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00","" "2200435","11.206","0.004","12.811","0.002","16.208","0.004","96.032","0.017","103.54","0.02","113.191","0.016","2028.1","1","293","2","293","2","","","","","","","","6","P -1","-P 1","2","(Pyridine-2,6-dicarboxylic acid)triaquastrontium(II) tris(pyridine-2,6- dicarboxylato)Ce(IV) hexahydrate","(Pyridine-2,6-dicarboxylic acid)triaquastrontium(II) tris(pyridine-2,6- dicarboxylato)Ce(IV) hexahydrate","","- C28 H32 Ce N4 O25 Sr -","- C28 H14 Ce N4 O25 Sr -","- C56 H28 Ce2 N8 O50 Sr2 -","2","1","CI6024","Sunkari Sailaja; M. V. Rajasekharan","A one-dimensional coordination polymer with alternating CeN~3~O~6~ and SrNO~7~ polyhedra","Acta Crystallographica Section E","2001","57","8","m341","m343","10.1107/S1600536801010741","","","0.71073","MoKα","","0.094","0.067","","","","0.197","","","","","","1.06","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00","" "2200436","12.3201","0.0012","5.9377","0.0015","14.2908","0.0016","90","0.014","111.369","0.01","90","0.013","973.5","0.3","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","Bis(D-phenylglycinium)sulfate monohydrate","Bis(D-phenylglycinium) sulfate monohydrate","","- C16 H22 N2 O9 S -","- C16 H22 N2 O9 S -","- C32 H44 N4 O18 S2 -","2","1","CI6028","Srinivasan, N.; Sridhar, B.; Rajaram, R. K.","Bis(D-phenylglycinium) sulfate monohydrate","Acta Crystallographica Section E","2001","57","8","o754","o756","10.1107/S1600536801011941","","","0.7107","MoKα","","0.045","0.043","","","","0.133","","","","","","1.07","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00","" "2200437","10.455","0.003","13.83","0.004","28.548","0.01","90","","90","","90","","4128","2","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","cis-Bis(2,2-bipyridine)dichloronickel(II) methanol solvate","","- C21 H20 Cl2 N4 Ni O -","- C21 H20 Cl2 N4 Ni O -","- C168 H160 Cl16 N32 Ni8 O8 -","8","1","CI6029","Fontaine, Frédéric-Georges","cis-Bis(2,2-bipyridine)dichloronickel(II) methanol solvate","Acta Crystallographica Section E","2001","57","7","m270","m271","10.1107/S1600536801007838","","","1.54056","CuKα","","0.088","0.047","","0.112","","0.101","","","0.79","","","1.01","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00","" "2200438","5.0264","0.0006","20.822","0.002","20.897","0.002","90","","90","","90","","2187.1","0.4","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","Hydrogen bis[L-lysinium(2+)] dichloride perchlorate","Hydrogen bis[L-lysinium(2+)] dichloride perchlorate","","- C12 H31 Cl3 N4 O8 -","- C12 H31 Cl3 N4 O8 -","- C48 H124 Cl12 N16 O32 -","4","1","CI6030","Srinivasan, N.; Sridhar, B.; Rajaram, R. K.","Hydrogen bis[L-lysinium(2+)] dichloride perchlorate","Acta Crystallographica Section E","2001","57","9","o875","o877","10.1107/S1600536801013484","","","0.7107","MoKα","","0.081","0.069","","","","0.196","","","","","","1.06","","","","has coordinates","201973","2020-10-21","18:00:00","" "2200439","9.806","0.003","5.928","0.003","19.933","0.002","90","","90.696","0.016","90","","1158.6","0.7","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C8 H9 N5 O7 -","- C8 H9 N5 O7 -","- C32 H36 N20 O28 -","4","1","CI6032","Graham Smith; Raymond C. Bott; Urs D. Wermuth","Guanidinium 3,5-dinitrosalicylate","Acta Crystallographica Section E","2001","57","7","o640","o642","10.1107/S1600536801010303","","","0.71069","MoKα","","0.0798","0.04","","","","0.1335","","","","","","1.052","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00","" "2200440","6.818","0.003","13.288","0.004","30.67","0.014","90","","94.47","0.03","90","","2770.2","1.9","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","4,8,9,10-Tetrakis(4-chlorophenyl)-1,3-diazaadamantan-6-one","","- C32 H24 Cl4 N2 O -","- C32 H24 Cl4 N2 O -","- C128 H96 Cl16 N8 O4 -","4","1","CI6033","Krishnakumar, R. V.; Subha Nandhini, M.; Vijayakumar, V.; Natarajan, S.; Sundaravadivelu, M.; Perumal, S.; Mostad, A.","4,8,9,10-Tetrakis(4-chlorophenyl)-1,3-diazaadamantan-6-one","Acta Crystallographica Section E","2001","57","9","o860","o862","10.1107/S1600536801013277","","","1.5418","CuKα","","0.102","0.061","","","","0.149","","","","","","1.16","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00","" "2200441","10.065","0.002","23.178","0.004","9.077","0.003","90","","90","","90","","2117.5","0.9","293","","293","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C11 H9 Cl N4 -","- C11 H9 Cl N4 -","- C88 H72 Cl8 N32 -","8","1","CI6034","Pifferi, Augusto; Camalli, Mercedes; Silvestri, Romano; De Martino, Gabriella; Massa, Silvio; Artico, Marino","1-Amino-6-chloro-2-(1H-pyrrol-2-yl)benzimidazole (RS 1350)","Acta Crystallographica Section E","2001","57","9","o819","o821","10.1107/S1600536801010856","","","0.71069","MoKα","","0.042","0.042","","0.07","","0.07","","","0.97","","","0.97","","","","has coordinates","201973","2020-10-21","18:00:00","" "2200442","11.662","0.003","7.579","0.002","12.038","0.006","90","","106.89","0.03","90","","1018.1","0.7","173","","173","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C12 H11 F O3 -","- C12 H11 F O3 -","- C48 H44 F4 O12 -","4","1","CI6035","Razzino, Pasquale; Ward, A. David; Tiekink, Edward R. T.","2-(6-Fluoro-5-hydroxy-2-methyl-1H-3-indenyl)acetic acid","Acta Crystallographica Section E","2001","57","7","o643","o644","10.1107/S1600536801010297","","","0.71069","MoKα","","0.079","0.047","","","","0.141","","","","","","1.02","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00","" "2200443","7.648","0.003","6.872","0.006","24.314","0.002","90","","93.1","0.02","90","","1276","1.2","173","","173","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C15 H14 O2 S -","- C15 H14 O2 S -","- C60 H56 O8 S4 -","4","1","CI6036","Razzino, Pasquale; Ward, A. David; Tiekink, E. R. T.","4-[(4-Methoxybenzyl)sulfanyl]benzaldehyde","Acta Crystallographica Section E","2001","57","7","o622","o623","10.1107/S160053680101008X","","","0.71069","MoKα","","0.104","0.038","","","","0.099","","","","","","0.97","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00","" "2200444","14.56","0.002","6.6","0.0012","22.115","0.004","90","","90.7","0.02","90","","2125","0.6","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","Bis(DL-phenylalaninium)sulfate monohydrate","","","- C18 H26 N2 O9 S -","- C18 H26 N2 O9 S -","- C72 H104 N8 O36 S4 -","4","1","CI6038","Srinivasan, N.; Sridhar, B.; Rajaram, R. K.","Bis(DL-phenylalaninium) sulfate monohydrate","Acta Crystallographica Section E","2001","57","8","o772","o774","10.1107/S160053680101234X","","","0.71069","MoKα","","0.066","0.046","","","","0.119","","","","","","1.05","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00","" "2200445","10.3369","0.0004","4.7557","0.0002","14.2208","0.0007","90","","102.495","0.0018","90","","682.52","0.05","120","2","120","2","","","","","","","","4","P 1 21 1","P 2yb","4","","1-Methylethyl 2-[(1-bromo-2-naphthalenyl)oxy]ethanoate","","- C15 H15 Br O3 -","- C15 H15 Br O3 -","- C30 H30 Br2 O6 -","2","1","CI6040","Janet M. S. Skakle; Solange M. S. V. Wardell","1-Methylethyl 2-[(1-bromo-2-naphthyl)oxy]ethanoate","Acta Crystallographica Section E","2001","57","8","o767","o768","10.1107/S160053680101176X","","","0.71073","MoKα","","0.05","0.042","","","","0.112","","","","","","1.08","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00","" "2200446","8.6089","0.0005","12.2249","0.0007","17.3057","0.0011","90","","100.86","0.002","90","","1788.68","0.19","298","2","298","2","","","","","","","","5","P 1 2/n 1","-P 2yac","13","","Catena-(μ^2^-(1-Hydroxybenzene-3,5-dicarboxylato-O,O',O'',O''')(1,10-phenanthr oline)manganese(II) hydrate)","","- C20 H14 Mn N2 O6 -","- C20 H14 Mn N2 O6 -","- C80 H56 Mn4 N8 O24 -","4","1","CI6041","J. M. S. Skakle; M. R. St J. Foreman; M. J. Plater","catena-Poly[[[(1,10-phenanthroline)manganese(II)]-μ-(1-hydroxybenzene-3,5-dicarboxylato)] hydrate]","Acta Crystallographica Section E","2001","57","8","m373","m375","10.1107/S1600536801011758","","","0.71073","MoKα","","0.09","0.04","","","","0.079","","","","","","0.85","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00","" "2200447","10.744","0.005","22.193","0.004","7.079","0.005","90","","90","","90","","1687.9","1.5","295","2","295","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","1,1'-(phalolyl)bis(benzotriazole)","","- C20 H12 N6 O2 -","- C20 H12 N6 O2 -","- C80 H48 N24 O8 -","4","1","CI6043","Graham Smith; Steven E. Bottle; Damien A. Reid; D. Paul Schweinsberg; Raymond C. Bott","A phthaloyl-linked benzotriazole corrosion inhibitor: 1,1'-(phthaloyl)bis(benzotriazole)","Acta Crystallographica Section E","2001","57","8","o695","o696","10.1107/S1600536801011011","","","0.71069","MoKα","","0.153","0.037","","","","0.138","","","","","","0.89","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00","" "2200448","8.949","0.002","22.451","0.005","12.712","0.004","90","","90","","90","","2554","1.1","298","","298","","","","","","","","","4","P c c n","-P 2ab 2ac","56","Piperidinium p-nitrobenzoate","Piperidinium p-nitrobenzoate","","- C12 H16 N2 O4 -","- C12 H16 N2 O4 -","- C96 H128 N16 O32 -","8","1","CI6044","Moritani, Yoshimitsu; Takeda, Akihiko; Kashino, Setsuo","Piperidinium p-nitrobenzoate","Acta Crystallographica Section E","2001","57","8","o707","o708","10.1107/S1600536801010844","","","0.71073","MoKα","","0.15","0.057","","","","0.205","","","","","","0.914","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00","" "2200449","8.325","0.005","10.957","0.004","10.363","0.004","90","","112.39","0.05","90","","874","0.8","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","DL-threoninium oxalate","","- C6 H11 N O7 -","- C6 H11 N O7 -","- C24 H44 N4 O28 -","4","1","CI6046","M.Subha Nandhini; R.V. Krishnakumar; R. Malathi; S.S. Rajan; S.Natarajan","DL-Threoninium oxalate","Acta Crystallographica Section E","2001","57","8","o769","o771","10.1107/S1600536801012193","","","1.54178","CuKα","","0.067","0.053","","","","0.175","","","","","","1.1","","","","has coordinates","176774","2020-10-21","18:00:00","" "2200450","7.7414","0.0001","10.3084","0.0001","10.9583","0.0002","74.415","0.001","78.835","0.001","81.192","0.001","821.65","0.02","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","2-Bromo-5,5-dimethoxybenzo[a]anthracene-6,7,12(5H)trione","","- C20 H13 Br O5 -","- C20 H13 Br O5 -","- C40 H26 Br2 O10 -","2","1","CI6048","Usman, Anwar; Razak, Ibrahim Abdul; Chantrapromma, Suchada; Fun, Hoong-Kun; Dey, Satyajit; Mal, Dipakranjan; Nigam, Gur Dayal","2-Bromobenz[a]anthracene-5,6,7,12-tetraone-5-dimethylketal","Acta Crystallographica Section E","2001","57","9","o825","o826","10.1107/S1600536801012892","","","0.71073","MoKα","","0.092","0.066","","","","0.165","","","","","","0.94","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00","" "2200451","11.1302","0.0002","7.3731","0.0001","24.3816","0.0004","90","","96.95","0.001","90","","1986.15","0.06","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","(1R/1S,5S/5R)-Dichloro-3,6,6-triphenyl-3-azabicyclo[3.2.0]hepta-2,4-dione","","- C24 H17 Cl2 N O2 -","- C24 H17 Cl2 N O2 -","- C96 H68 Cl8 N4 O8 -","4","1","CI6049","Usman, Anwar; Razak, Ibrahim Abdul; Fun, Hoong-Kun; Chantrapromma, Suchada; Xue, Jie; Xu, Jian-Hua","1,5-Dichloro-3,6,6-triphenyl-3-azabicyclo[3.2.0]heptane-2,4-dione","Acta Crystallographica Section E","2001","57","8","o792","o793","10.1107/S1600536801012673","","","0.71073","MoKα","","0.064","0.045","","","","0.102","","","","","","0.83","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00","" "2200452","7.7046","0.0005","10.6062","0.0007","9.3384","0.0006","90","","95.033","0.002","90","","760.16","0.09","297","2","297","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","3-Aza-bicyclo[3.3.1]nonane-2,4-dione","","- C8 H11 N O2 -","- C8 H11 N O2 -","- C32 H44 N4 O8 -","4","1","CI6050","Howie, R. Alan; Skakle, Janet M. S.","3-Azabicyclo[3.3.1]nonane-2,4-dione: CSP2001 structure prediction test case No. 1","Acta Crystallographica Section E","2001","57","9","o822","o824","10.1107/S1600536801012818","","","0.71073","MoKα","","0.083","0.044","","","","0.123","","","","","","0.9","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00","" "2200453","7.744","0.005","7.284","0.005","11.653","0.005","90","","92.6","0.005","90","","656.6","0.7","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","L-Argininium dinitrate","L-Argininium dinitrate","","- C6 H16 N6 O8 -","- C6 H16 N6 O8 -","- C12 H32 N12 O16 -","2","1","CI6051","Ramaswamy, S.; Sridhar, B.; Ramakrishnan, V.; Rajaram, R. K.","L-Argininium dinitrate","Acta Crystallographica Section E","2001","57","9","o872","o874","10.1107/S1600536801013460","","","1.5418","CuKα","","0.074","0.07","","","","0.218","","","","","","1.08","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00","" "2200454","10.54","0.002","12.153","0.003","9.786","0.002","106.2","0.03","116.89","0.03","87.18","0.04","1069.2","0.5","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","4-tert-Butyl-2,6-bis(piperidinomethyl)phenol","","- C22 H36 N2 O -","- C22 H36 N2 O -","- C44 H72 N4 O2 -","2","1","CI6052","Abdul Ajees, A.; Sekar, K.; Marrappan, M.; Kandasamy, M.","4-tert-Butyl-2,6-bis(piperidinomethyl)phenol","Acta Crystallographica Section E","2001","57","9","o878","o880","10.1107/S1600536801013836","","","1.5418","CuKα","","0.059","0.057","","","","0.176","","","","","","1.09","","","","has coordinates","201973","2020-10-21","18:00:00","" "2200455","12.3624","0.0001","13.064","0.0002","17.1439","0.0003","110.066","0.001","93.2","0.001","110.534","0.001","2386.13","0.07","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","4-Benzylidene-1'-methyl-4'-phenylcyclohexanespiro-3'-pyrrolidine-2'-spiro- 3''-indoline-2,2''-dione","","- C30 H28 N2 O2 -","- C30 H28 N2 O2 -","- C120 H112 N8 O8 -","4","2","CI6054","Jeyabharathi, A.; Ponnuswamy, M. N.; Amal Raj, A.; Raghunathan, R.; Razak, Ibrahim Abdul; Usman, Anwar; Chantrapromma, Suchada; Fun, Hoong-Kun","3-Benzylidene-1'-methyl-4'-phenylcyclohexanespiro-3'-pyrrolidine-2'-spiro-3''-indoline-2,2''-dione","Acta Crystallographica Section E","2001","57","9","o901","o903","10.1107/S1600536801013964","","","0.71073","MoKα","","0.104","0.057","","","","0.141","","","","","","0.88","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00","" "2200456","34.826","0.017","3.7296","0.0016","20.703","0.01","90","","110.63","0.05","90","","2517","2","298","2","298","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","Diflunisal","","","- C14.5 H7 F2 O3 -","- C14.5 H7 F2 O3 -","- C116 H56 F16 O24 -","8","1","CV6024","Hansen, Lars Kr.; Perlovich, German L.; Bauer-Brandl, Annette","Diflunisal‒hexane (4/1)","Acta Crystallographica Section E","2001","57","7","o604","o606","10.1107/S1600536801008558","","","0.71069","MoKα","","0.1885","0.0662","","","","0.2003","","","","","","1.043","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00","" "2200457","21.416","0.001","7.52","0.001","19.487","0.001","90","","117.86","0.01","90","","2774.6","0.5","150","2","150","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","(1S*,4S*,5R*,8R*)-4,8-Diphenyl-3,7-dioxabicyclo[3.3.0]octan-2-one","","- C18 H16 O3 -","- C18 H16 O3 -","- C144 H128 O24 -","8","1","CV6025","Gelbrich, Thomas; Hursthouse, Michael B.","(1S*,4S*,5R*,8R*)-4,8-Diphenyl-3,7-dioxabicyclo[3.3.0]octan-2-one","Acta Crystallographica Section E","2001","57","7","o566","o567","10.1107/S1600536801008170","","","0.71073","MoKα","","0.0731","0.0509","","","","0.1092","","","","","","0.97","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00","" "2200458","5.6733","0.0003","9.9375","0.0006","9.9407","0.0006","90","","90","","90","","560.44","0.06","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","R-thioproline","(R)-1,3-Thiazolidin-3-ium-4-carboxylate","","- C4 H7 N O2 S -","- C4 H7 N O2 S -","- C16 H28 N4 O8 S4 -","4","1","CV6026","Grant, Neil; Ward, Mark F.; Jaspars, Marcel; Harrison, William T. A.","(R)-1,3-Thiazolidin-3-ium-4-carboxylate","Acta Crystallographica Section E","2001","57","8","o697","o699","10.1107/S1600536801010947","","","0.71073","MoKα","","0.032","0.029","","","","0.079","","","","","","1.028","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00","" "2200459","7.9665","0.001","8.911","0.01","10.7318","0.001","69.59","0.06","75.783","0.01","80.87","0.08","689.9","0.8","296","2","296","2","","","","","","","","3","P -1","-P 1","2","","","","- C16 H22 N2 -","- C16 H22 N2 -","- C32 H44 N4 -","2","1","CV6027","Hökelek, Tuncer; Patır, Süleyman; Ergün, Yavuz; Okay, Gürol","2-(1,2,3,4-Tetrahydrocarbazol-2-yl)butylamine","Acta Crystallographica Section E","2001","57","7","o568","o570","10.1107/S1600536801008984","","","1.5418","CuKα","","0.0883","0.0554","","","","0.1573","","","","","","1.035","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00","" "2200460","21.698","0.004","7.339","0.0015","8.638","0.0017","90","","90","","90","","1375.5","0.5","123","2","293","2","","","","","","","","3","P n n 2","P 2 -2n","34","2-trans-cinnamonyl-acetoacetic acid","2-acetyl-3-oxo-5-pentyl-pent-4-enoic acid ethyl ester","","- C15 H16 O4 -","- C15 H16 O4 -","- C60 H64 O16 -","4","1","CV6028","Arrieta, Antonio F.; Arvid Mostad","Ethyl 2-trans-cinnamoylacetoacetate","Acta Crystallographica Section E","2001","57","8","o669","o671","10.1107/S1600536801010583","","","0.71073","MoKα","","0.0331","0.0313","","","","0.0789","","","","","","1.062","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00","" "2200461","12.11","0.009","6.084","0.003","15.024","0.011","90","","109.54","0.11","90","","1043.2","1.4","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","16α-Hydroxy-20-oxopregn-5-en-3β-yl-acetate","","- C23 H34 O4 -","- C23 H34 O4 -","- C46 H68 O8 -","2","1","CV6029","Andrade, L. C. R.; Paixão, J. A.; de Almeida, M. J. M.; Martins, R. M. L. M.; Soares, H. I. M.; Moreno, M. J. S. M.; Sá e Melo, M. L.; Campos Neves, A. S.","16α-Hydroxy-20-oxopregn-5-en-3β-yl acetate","Acta Crystallographica Section E","2001","57","7","o571","o573","10.1107/S1600536801008996","","","0.71073","MoKα","","0.0925","0.0405","","","","0.1185","","","","","","1.004","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00","" "2200462","15.3382","0.0014","8.6418","0.0009","15.9748","0.0011","90","","105.034","0.01","90","","2045","0.3","291","2","291","1","","","","","","","","5","P 1 n 1","P -2yac","7","","benzene-1,3,5-triyltrismethylenetris(diphenylphosphine oxide) acetonitrile solvate monohydrate","","- C47 H44 N O4 P3 -","- C47 H44 N O4 P3 -","- C94 H88 N2 O8 P6 -","2","1","CV6030","Kruszynski, Rafal; Wieczorek, Wanda","Polymorphic form of 1,3,5-tris[(diphenylphosphine oxide)methyl]benzene acetonitrile solvate monohydrate","Acta Crystallographica Section E","2001","57","7","o624","o626","10.1107/S1600536801010157","","","0.71073","MoKα","","0.0794","0.0785","","","","0.164","","","","","","1.083","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00","" "2200463","9.1308","0.0011","14.0077","0.0019","19.012","0.003","90","","90","","90","","2431.7","0.6","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C18 H24 Cl2 N6 P2 Pd -","- C18 H24 Cl2 N6 P2 Pd -","- C72 H96 Cl8 N24 P8 Pd4 -","4","0.5","CV6031","Lawrence, Simon E.; Kelly, Maureen; Ní Dhubhghaill, Orla M.","Dichloro-trans-bis[tris(2-cyanoethyl)phosphine]palladium(II)","Acta Crystallographica Section E","2001","57","7","m272","m273","10.1107/S1600536801009278","","","0.71069","MoKα","","0.0385","0.0266","","","","0.0762","","","","","","1.188","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00","" "2200464","8.7253","0.0001","8.9271","0.0001","11.5975","0.0002","72.68","0.01","71.25","0.01","61.01","0.01","737.16","0.08","183","2","183","2","","","","","","","","5","P -1","-P 1","2","","","","- C12 H18 Br N O6 -","- C12 H18 Br N O6 -","- C24 H36 Br2 N2 O12 -","2","1","CV6032","Kožíšek, Jozef; Šafář, Peter; Langer, Vratislav","1-[2-(Dicarboxymethyl)-3-oxocyclopent-4-en-1-yl]pyrrolidin-1-ium bromide hydrate","Acta Crystallographica Section E","2001","57","8","o775","o777","10.1107/S1600536801011266","","","0.71073","MoKα","","0.0365","0.0291","","","","0.0756","","","","","","0.974","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00","" "2200465","18.581","0.003","5.163","0.002","13.344","0.003","90","","93.71","0.02","90","","1277.5","0.6","293","","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","N^6^-benzyladenine hydrobromide","","","- C12 H12 Br N5 -","- C12 H12 Br N5 -","- C48 H48 Br4 N20 -","4","1","CV6033","Umadevi, Balakrishnan; Stanley, Nithianantham; Thomas Muthiah, Packianathan; Bocelli, Gabriele; Cantoni, Andrea","N^6^-Benzyladenine hydrobromide and the solid-state conformation of cytokinins","Acta Crystallographica Section E","2001","57","9","o881","o883","10.1107/S1600536801013629","","","1.54178","CuKα","","0.0674","0.0674","","","","0.1732","","","","","","1.044","","","","has coordinates","201973","2020-10-21","18:00:00","" "2200466","6.765","0.002","13.822","0.002","12.114","0.003","90","","94.92","0.02","90","","1128.6","0.5","294","2","294","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C7 H7 Br5 -","- C7 H7 Br5 -","- C28 H28 Br20 -","4","1","CV6034","Hökelek, Tuncer; Çelik, Ïsmail; Tutar, Ahmet; Çakmak, Osman","2,2-exo-3,5,6-Pentabromobicycloheptane","Acta Crystallographica Section E","2001","57","8","o709","o711","10.1107/S1600536801010728","","","0.71073","MoKα","","0.1616","0.064","","","","0.1327","","","","","","0.982","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00","" "2200467","10.9909","0.0002","10.5488","0.0002","11.3876","0.0002","90","","100.526","0.001","90","","1298.07","0.04","297","2","297","2","","","","","","","","3","P 1 21 1","P 2yb","4","","1,2:4,5-di-O-isopropylidene-β-D-erythro-hexo-2,3-diulo-2,6 -pyranose","","- C12 H18 O6 -","- C12 H18 O6 -","- C48 H72 O24 -","4","2","CV6035","Marián Ďurík; Vratislav Langer; Dalma Gyepesová; Júlia Mičová; Bohumil Steiner; Miroslav Koóš","1,2:4,5-Di-O-isopropylidene-β-D-erythro-hexo-2,3-diulo-2,6-pyranose","Acta Crystallographica Section E","2001","57","8","o672","o674","10.1107/S160053680101073X","","","0.71073","MoKα","","0.052","0.0356","","","","0.0914","","","","","","1.022","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00","" "2200468","6.555","0.0002","10.918","0.0003","20.559","0.0006","90","","93.203","0.0015","90","","1469.06","0.07","110","2","110","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","[5,10,15,20-meso-Tetrakis(2-thienyl)porphyrinato-κ^4^N]copper(II)","","- C36 H20 Cu N4 S4 -","- C36 H20 Cu N4 S4 -","- C72 H40 Cu2 N8 S8 -","2","0.5","CV6036","Yael Diskin-Posner; Srinivasan Balasubramanian; Goutam Kumar Patra; Israel Goldberg","[5,10,15,20-meso-Tetrakis(2-thienyl)porphyrinato-κ^4^N]copper(II)","Acta Crystallographica Section E","2001","57","8","m346","m348","10.1107/S1600536801011308","","","0.7107","MoKα","","0.0524","0.0459","","","","0.1299","","","","","","0.979","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00","" "2200469","9.078","0.001","5.761","0.002","21.372","0.002","90","","100.341","0.008","90","","1099.6","0.4","150","2","150","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","1,2-bis(diphenylarsino)ethane","","- C26 H24 As2 -","- C26 H24 As2 -","- C52 H48 As4 -","2","0.5","CV6037","Hill, Nicholas J.; Levason, William; Reid, Gillian; Webster, Michael","1,2-Bis(diphenylarsino)ethane","Acta Crystallographica Section E","2001","57","8","o700","o701","10.1107/S1600536801010959","","","0.71073","MoKα","","0.0311","0.0241","","","","0.0665","","","","","","1.096","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00","" "2200470","8.683","0.003","15.159","0.006","11.151","0.003","90","","91.06","0.03","90","","1467.5","0.9","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","N-(1-Benzenesulfonyl-4-acetylpyrrol-3-yl)acetamide","N-(1-Benzenesulfonyl-4-acetylpyrrol-3-yl)acetamide","","- C14 H14 N2 O4 S -","- C14 H14 N2 O4 S -","- C56 H56 N8 O16 S4 -","4","1","CV6038","Grossie, David A; Ketcha, Daniel; Johyne P. Brooke; Scott A. Jones; Jonathan G. Grieb","N-(1-Benzenesulfonyl-4-acetylpyrrol-3-yl)acetamide","Acta Crystallographica Section E","2001","57","8","o778","o780","10.1107/S160053680101131X","","","0.71069","MoKα","","0.0714","0.0592","","","","0.1817","","","","","","1.079","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00","" "2200471","12.978","0.002","16.518","0.002","23.95","0.004","90","","90","","90","","5134.2","1.3","213.2","","213.2","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C20 H34 Cl2 Cu N6 O8 -","- C20 H34 Cl2 Cu N6 O8 -","- C160 H272 Cl16 Cu8 N48 O64 -","8","1","CV6040","Daly, Robert I.; Hockless, David C. R.; Taylor, Max R.; Martin, Lisandra L.","{2-(4,7-Dimethyl-1,4,7-triazacyclonon-1-yl)-N-methyl-N-[(1-methylbenzimidazol-2-yl)methyl]ethylamine}copper(II) bis(perchlorate)","Acta Crystallographica Section E","2001","57","8","m355","m356","10.1107/S1600536801011540","","","1.5418","CuKα","","","0.054","","","","0.165","","","","","","1.377","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00","" "2200472","10.367","0.001","6.343","0.001","23.361","0.002","90","","100.98","0.01","90","","1508","0.3","173","2","173","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","9-p-Toluidinoanthracene","","- C21 H17 N -","- C21 H17 N -","- C84 H68 N4 -","4","1","CV6042","Lahlou, Souad; Kerbal, Abdelali; Janati, Tajdine; Lyazidi, Saîda Aît; Bitit, Najib; El-Bali, Brahim; Bolte, Michael","9-p-Toluidinoanthracene","Acta Crystallographica Section E","2001","57","8","o733","o734","10.1107/S1600536801011539","","","0.71073","MoKα","","0.087","0.0491","","","","0.1397","","","","","","1.054","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00","" "2200473","5.5973","0.0002","18.5701","0.0005","11.8195","0.0003","90","","91.304","0.001","90","","1228.23","0.06","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","2-p-Toluoylquinoxaline","","- C16 H12 N2 O -","- C16 H12 N2 O -","- C64 H48 N8 O4 -","4","1","CV6043","Chowdhury, Krishna; Mukhopadhyay, Rupa; Mukherjee, Monika; Broder, Charlotte K.; Kundu, Nitya G.","2-p-Toluoylquinoxaline","Acta Crystallographica Section E","2001","57","8","o794","o795","10.1107/S1600536801012491","","","0.71073","MoKα","","0.0507","0.0433","","","","0.1273","","","","","","1.044","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00","" "2200474","7.5206","0.0015","3.9367","0.0008","25.881","0.005","90","","96.84","0.03","90","","760.8","0.3","203","2","203","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","5-bromo-2-hydroxybenzene-1,3-dicarbaldehyde","","- C8 H5 Br O3 -","- C8 H5 Br O3 -","- C32 H20 Br4 O12 -","4","1","CV6044","Duclos, Séverine; Therrien, Bruno; Ward, Thomas R.","5-Bromo-2-hydroxybenzene-1,3-dicarbaldehyde","Acta Crystallographica Section E","2001","57","9","o884","o885","10.1107/S1600536801013630","","","0.71073","MoKα","","0.0532","0.0449","","","","0.1223","","","","","","1.149","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00","" "2200475","9.1991","0.0011","7.384","0.0005","25.694","0.003","90","","100.03","0.009","90","","1718.6","0.3","296","2","296","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","cyclohexyl furan carboxylate derivative","2-(1-Naphthyl)cyclohexyl 3-furancarboxylate","","- C21 H20 O3 -","- C21 H20 O3 -","- C84 H80 O12 -","4","1","CV6045","Parvez, Masood; Hunt, Ian R.; Keay, Brian A.","2-(1-Naphthyl)cyclohexyl 3-furancarboxylate","Acta Crystallographica Section E","2001","57","8","o800","o801","10.1107/S1600536801012508","","","0.71069","MoKα","","0.26","0.053","","","","0.242","","","","","","0.955","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00","" "2200476","5.5332","0.0011","12.841","0.002","20.088","0.003","90","","96.52","0.02","90","","1418.1","0.4","200","2","200","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","cyclohexyl furan carboxylate derivative","2-Phenyl-cyclohexyl-3-furan carboxylate","","- C17 H18 O3 -","- C17 H18 O3 -","- C68 H72 O12 -","4","1","CV6046","Parvez, Masood; Hunt, Ian R.; Keay, Brian A.","2-Phenylcyclohexyl 3-furancarboxylate","Acta Crystallographica Section E","2001","57","8","o802","o803","10.1107/S160053680101251X","","","0.71069","MoKα","","0.165","0.05","","","","0.221","","","","","","1.02","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00","" "2200477","21.774","0.003","10.694","0.002","18.43","0.003","90","","122.38","0.01","90","","3624.2","1.1","200","2","200","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","cyclohexyl furan carboxylate derivative","2-(1-Naphthyl)cyclohexyl 2-methylfuran-3-carboxylate","","- C22 H22 O3 -","- C22 H22 O3 -","- C176 H176 O24 -","8","1","CV6047","Parvez, Masood; Hunt, Ian R.; Keay, Brian A.","2-(1-Naphthyl)cyclohexyl 2-methylfuran-3-carboxylate","Acta Crystallographica Section E","2001","57","8","o804","o805","10.1107/S1600536801012521","","","0.71069","MoKα","","0.123","0.042","","","","0.146","","","","","","1.02","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00","" "2200478","5.9896","0.0011","15.5307","0.0015","8.8471","0.0011","90","","106.934","0.012","90","","787.3","0.2","295","2","295","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","racemic 7-oxabicyclo[2.2.1]heptane-5-exo-iodo-6-endo-hydroxy-2-endo- carboxylic acid-γ-lactone","","- C7 H7 I O3 -","- C7 H7 I O3 -","- C28 H28 I4 O12 -","4","1","CV6048","Smith, Graham; Bott, Raymond C.; Jenkins, Ian D.; Wermuth, Urs D.","Racemic 7-oxabicyclo[2.2.1]heptane-5-exo-iodo-6-endo-hydroxy-2-endo-carboxylic acid-γ-lactone","Acta Crystallographica Section E","2001","57","8","o806","o808","10.1107/S1600536801012661","","","0.71069","MoKα","","0.0396","0.0286","","","","0.0772","","","","","","1.059","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00","" "2200479","7.83","0.002","13.683","0.003","7.296","0.002","90","","90","","90","","781.7","0.3","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","2,6-Dinitrotoluene","","- C7 H6 N2 O4 -","- C7 H6 N2 O4 -","- C28 H24 N8 O16 -","4","1","CV6049","Jing-Jing Nie; Duan-Jun Xu; Zhen-Yu Li; Michael Y. Chiang","2,6-Dinitrotoluene","Acta Crystallographica Section E","2001","57","9","o827","o828","10.1107/S1600536801013022","","","0.71073","MoKα","","0.0541","0.0461","","0.1439","","0.1326","","","1.046","","","1.054","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00","" "2200480","11.8692","0.0003","6.0255","0.0002","29.7783","0.0006","90","","94.221","0.001","90","","2123.9","0.1","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","4,4'-Bis(5-Carbomethoxy-2-thienyl)phenyl sulfide","","- C24 H18 O4 S3 -","- C24 H18 O4 S3 -","- C96 H72 O16 S12 -","4","0.5","CV6050","Anwar Usman; Ibrahim Abdul Razak; Suchada Chantrapromma; Hoong-Kun Fun; Dipanjan Pan; Jayanta Kumar Ray","Bis[4-(5-methoxycarbonyl-2-thienyl)phenyl] sulfide","Acta Crystallographica Section E","2001","57","9","o842","o843","10.1107/S1600536801013034","","","0.71073","MoKα","","0.0743","0.0528","","","","0.1505","","","","","","1.027","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00","" "2200481","8.4871","0.0002","10.0561","0.0002","16.0181","0.0001","90","","96.536","0.001","90","","1358.21","0.04","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","10-fluoro-6,7-dihydro-5H-benzo[6,7]cyclohepta[1,2-b]quinoline","","- C18 H14 F N -","- C18 H14 F N -","- C72 H56 F4 N4 -","4","1","CV6051","Anwar Usman; Ibrahim Abdul Razak; Suchada Chantrapromma; Hoong-Kun Fun; Dipanjan Pan; Jayanta Kumar Ray","10-Fluoro-6,7-dihydro-5H-benzo[6,7]cyclohepta[1,2-b]quinoline","Acta Crystallographica Section E","2001","57","9","o844","o845","10.1107/S1600536801013046","","","0.71073","MoKα","","0.0956","0.0538","","","","0.1482","","","","","","0.899","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00","" "2200482","12.6246","0.0003","13.0962","0.0003","21.2134","0.0005","90","","90","","90","","3507.3","0.14","120","2","120","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","no","17S,20S-Dihydrofusidic acid diethylene glycol hydrate","","- C35 H62 O10 -","- C35 H62 O10 -","- C140 H248 O40 -","4","1","DN6000","Søtofte, Inger; Duvold, Tore","A new potent fusidic acid analogue","Acta Crystallographica Section E","2001","57","9","o829","o831","10.1107/S1600536801012776","","","0.71073","MoKα","","0.0829","0.0689","","0.1946","","0.175","","","1.151","","","1.125","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00","" "2200483","9.5437","0.0005","11.8437","0.0006","10.1523","0.0003","90","","113.638","0.003","90","","1051.26","0.09","298","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C12 H11 N3 O -","- C12 H11 N3 O -","- C48 H44 N12 O4 -","4","1","DN6001","Attar, K. H.; El Azaoui, B.; Benchidmi, M.; Essassi, E. M.; Pierrot, M.","2-[(5-Méthylisoxazol-3-yl)méthyl]benzimidazole","Acta Crystallographica Section E","2001","57","8","o809","o810","10.1107/S1600536801012740","","","0.71073","MoKα","","0.046","0.04","","0.054","","0.054","","","1.154","","","1.195","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00","" "2200484","12.56","0.002","7.243","0.002","13.387","0.002","90","","117.96","0.02","90","","1075.7","0.4","293","2","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","μ-oxalato-bis[aqua(diethylenetriamine)nickel(II)] dinitrate","","- C10 H30 N8 Ni2 O12 -","- C10 H30 N8 Ni2 O12 -","- C20 H60 N16 Ni4 O24 -","2","0.5","DN6002","Guzmán-Miralles, Carmen; Castillo, Oscar; Luque, Antonio; Beitia, Javier I.; Román, Pascual","μ-Oxalato-bis[aqua(diethylenetriamine)nickel(II)] dinitrate","Acta Crystallographica Section E","2001","57","9","m407","m409","10.1107/S1600536801013344","","","0.71073","MoKα","","0.0594","0.0325","","","","0.0889","","","","","","1.03","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00","" "2200485","14.4988","0.0002","17.1659","0.0001","18.1536","0.0005","90","","90","","90","","4518.16","0.14","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Tris(μ-1,4-benzenedicarboxylate)tetrakis(dimethyl sulfoxide)di-μ~3~-hydroxo-tetrazinc dihydrate","","- C32 H42 O20 S4 Zn4 -","- C32 H42 O20 S4 Zn4 -","- C128 H168 O80 S16 Zn16 -","4","0.5","NA6080","Wang, Ruihu; Hong, Maochun; Liang, Yucang; Cao, Rong","Tris(μ-1,4-benzenedicarboxylate)tetrakis(dimethyl sulfoxide)di-μ~3~-hydroxo-tetrazinc dihydrate","Acta Crystallographica Section E","2001","57","7","m277","m279","10.1107/S1600536801009175","","","0.71073","MoKα","","0.0997","0.052","","","","0.1275","","","","","","1.051","","","","has coordinates,has Fobs","211196","2020-10-21","18:00:00","" "2200486","23.6702","0.0005","13.5602","0.0003","16.6057","0.0004","90","","126.717","0.0011","90","","4272.49","0.18","150","1","150","1","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","cis-Bis[2-(2-pyridyl)-4-methoxycarbonylquinoline](2,2'-bipyridine)ruthenium(II) hexafluorophosphate","","- C42 H32 F12 N6 O4 P2 Ru -","- C42 H32 F12 N6 O4 P2 Ru -","- C168 H128 F48 N24 O16 P8 Ru4 -","4","0.5","NA6081","Farah, Abdiaziz A.; Zobi, Fabio; Stynes, Dennis V.; Lough, Alan J.; Pietro, William J.","cis-(2,2'-Bipyridine)bis[2-(2-pyridyl)-4-methoxycarbonylquinoline]ruthenium(II) hexafluorophosphate","Acta Crystallographica Section E","2001","57","7","m274","m276","10.1107/S1600536801008765","","","0.71073","MoKα","","0.0493","0.0426","","","","0.1104","","","","","","1.119","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00","" "2200487","10.094","0.0002","13.5844","0.0003","16.1679","0.0003","90","","90","","90","","2216.96","0.08","293","1","293","1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C25 H34 O3 -","- C25 H34 O3 -","- C100 H136 O12 -","4","1","NA6082","Linker, Manuela; Schürmann, Markus; Preut, Hans; Kreiser, Wolfgang","(20S)-Methyl-3-oxochola-1,4,22-trien-24-oate","Acta Crystallographica Section E","2001","57","7","o574","o575","10.1107/S1600536801008789","","","0.71073","MoKα","","0.1294","0.0525","","","","0.1226","","","","","","1.001","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00","" "2200488","10.4164","0.0002","7.5425","0.0002","14.4209","0.0003","90","","107.762","0.0011","90","","1078.98","0.04","293","1","293","1","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C25 H34 O3 -","- C25 H34 O3 -","- C50 H68 O6 -","2","1","NA6083","Linker, Manuela; Schürmann, Markus; Preut, Hans; Kreiser, Wolfgang","(20R)-Methyl-3-oxochola-1,4,22-trien-24-oate","Acta Crystallographica Section E","2001","57","7","o576","o577","10.1107/S1600536801008777","","","0.71073","MoKα","","0.1014","0.047","","","","0.1139","","","","","","1.011","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00","" "2200489","5.929","0.001","8.195","0.007","11.503","0.002","90","","100.06","0.01","90","","550.3","0.5","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","D-serinium D-serine nitrate","D-serinium D-serine nitrate","","- C6 H15 N3 O9 -","- C6 H15 N3 O9 -","- C12 H30 N6 O18 -","2","1","NA6085","Ravikumar, B.; Sridhar, B.; Rajaram, R. K.","D-Serinium D-serine nitrate","Acta Crystallographica Section E","2001","57","8","o682","o684","10.1107/S1600536801009035","","","0.71073","MoKα","","0.0359","0.0263","","","","0.0743","","","","","","0.947","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00","" "2200490","8.34","0.0013","8.9291","0.0011","10.724","0.002","102.576","0.013","107.704","0.015","119.667","0.011","592","0.2","293","2","293","2","","","","","","","","5","P 1","P 1","1","Bis(L-histidinium sulfate) trihydrate","Bis(L-histidinium sulfate) trihydrate","","- C6 H14 N3 O7.5 S -","- C6 H14 N3 O7.515 S -","- C12 H28 N6 O15.03 S2 -","2","2","NA6086","Srinivasan, N.; Sridhar, B.; Rajaram, R. K.","Bis(L-histidinium sulfate) trihydrate","Acta Crystallographica Section E","2001","57","7","o607","o609","10.1107/S1600536801009758","","","1.5418","CuKα","","0.0524","0.0519","","","","0.1475","","","","","","1.054","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00","" "2200491","10.0991","0.0011","14.1486","0.0015","16.205","0.003","90","","100.85","0.01","90","","2274.1","0.6","298","2","298","2","","","","","","","","7","P 1 21/a 1","-P 2yab","14","","","","- C23 H21 Cl3 Fe N2 O Pt -","- C23 H21 Cl3 Fe N2 O Pt -","- C92 H84 Cl12 Fe4 N8 O4 Pt4 -","4","1","NA6087","Blake, Alexander J.; Osborne, Anthony G.; Hollands, R. E.","Acetyl(2,2'-bipyridine)chloro(1,1'-dichloroferrocen-2-yl)methylplatinum(IV)","Acta Crystallographica Section E","2001","57","7","m313","m314","10.1107/S1600536801009862","","","0.71073","MoKα","","0.0936","0.0544","","","","0.135","","","","","","1.035","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00","" "2200492","9.482","0.001","9.859","0.001","10.324","0.002","74.995","0.002","74.022","0.002","85.559","0.003","896.2","0.2","120","","120","","","","","","","","","5","P -1","-P 1","2","[V^V^O(salen)(H~2~O)](NO~3~),0.76H~2~O","N,N'-ethylene-bis(salicylideneaminato-N,O oxovanadium(V) nitrate hydrate(0.76)","","- C16 H17.52 N3 O7.76 V -","- C16 H17.18 N3 O7.76 V -","- C32 H34.36 N6 O15.52 V2 -","2","1","NA6088","Peter Hald; Alan Hazell; Torben R. Jensen; Helle F. Jensen; Jens-Erik Jørgensen","Aqua[N,N'-ethylenebis(salicylideneaminato-N,O)]oxovanadium(V) nitrate 0.76-hydrate","Acta Crystallographica Section E","2001","57","7","m310","m312","10.1107/S1600536801009850","","","0.71073","MoKα","","","0.036","","","","0.04","","","","","","0.97","","","","has coordinates","176432","2020-10-21","18:00:00","" "2200493","7.654","0.003","8.972","0.004","9.132","0.005","93.34","0.04","102.63","0.04","107.79","0.04","577.4","0.5","150","2","150","2","","","","","","","","6","P -1","-P 1","2","Bis([9]aneS~3~)nickel(II) dibromide tetrahydrate","Bis(1,4,7-trithiacyclononane-S,S',S"")nickel(II) dibromide tetrahydrate","","- C12 H32 Br2 Ni O4 S6 -","- C12 H32 Br2 Ni O4 S6 -","- C12 H32 Br2 Ni O4 S6 -","1","0.5","NA6089","Blake, Alexander J.; Brooks, Neil R.; Champness, Neil R.; Hubberstey, Peter; Keppie, Ian J.; Schröder, Martin; Marr, Andrew C.","Bis(1,4,7-trithiacyclononane-S,S',S'')nickel(II) dibromide tetrahydrate","Acta Crystallographica Section E","2001","57","8","m376","m377","10.1107/S1600536801011187","","","0.71073","MoKα","","0.0446","0.0376","","","","0.0915","","","","","","1.089","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00","" "2200494","13.259","0.005","14.383","0.004","15.635","0.004","90","","90","","90","","2981.7","1.6","150","2","150","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C14 H14 Cl4 O2 -","- C14 H14 Cl4 O2 -","- C112 H112 Cl32 O16 -","8","1","NA6090","Blake, Alexander J.; Dietel, Anja; Li, Wan-Sheung; Thomas, Neil R.; Marr, Andrew C.","1,2,3,4-Tetrachloro-11,11-dimethoxy-1,4,5,6,9,10-hexahydro-endo-1,4-exo-6,9-dimethanonaphthalene","Acta Crystallographica Section E","2001","57","8","o790","o791","10.1107/S1600536801011564","","","0.71073","MoKα","","0.044","0.035","","","","0.082","","","","","","1.19","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00","" "2200495","9.5802","0.0012","10.692","0.0013","12.2069","0.0011","112.203","0.003","101.145","0.005","90.376","0.003","1131.5","0.2","301","2","","","","","","","","","","6","P -1","-P 1","2","","","","- C44 H52 Cu N6 Ni2 O10 -","- C44 H52 Cu N6 Ni2 O10 -","- C44 H52 Cu N6 Ni2 O10 -","1","0.5","OB6038","Arıcı, Cengiz; Ülkü, Dinçer; Tahir, M. Nawaz; Atakol, Orhan","Bis{(μ-acetato)(N,N'-dimethylformamide)[μ-bis(salicylidene)-1,3-propanediaminato]nickel(II)}copper(II)","Acta Crystallographica Section E","2001","57","7","m283","m285","10.1107/S160053680100753X","","","0.71073","MoKα","","","0.032","","","","0.085","","","","","","0.93","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00","" "2200496","6.7899","0.0017","8.071","0.002","16.152","0.004","90","","94.76","0.005","90","","882.1","0.4","293","2","","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Bis(1,4-diazacycloheptane-N,N')nickel(II) diperchlorate","","- C10 H24 Cl2 N4 Ni O8 -","- C10 H24 Cl2 N4 Ni O8 -","- C20 H48 Cl4 N8 Ni2 O16 -","2","0.5","OB6042","Ya-Mei Guo; Miao Du; Xian-He Bu","Bis(1,4-diazacycloheptane-N,N')nickel(II) diperchlorate","Acta Crystallographica Section E","2001","57","7","m280","m282","10.1107/S1600536801008030","","","0.71073","MoKα","","0.091","0.0511","","","","0.1411","","","","","","0.982","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00","" "2200497","7.2978","0.0003","14.9895","0.0005","19.6091","0.0006","90","","91.042","0.001","90","","2144.69","0.13","296","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C25 H13 Cl2 N6 -","- C25 H13 Cl2 N6 -","- C100 H52 Cl8 N24 -","4","1","OB6044","Kazumasa Ueda; Toyonari Sugimoto; Tomoyuki Mochida","N-Methylphenazinium 2,5-dichloro-7,7',8,8'-tetracyanoquinodimethanide","Acta Crystallographica Section E","2001","57","7","o578","o580","10.1107/S1600536801008753","","","0.7107","MoKα","","","0.0419","","","","0.1219","","","","","","1.316","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00","" "2200498","10.2233","0.0003","6.3323","0.0003","13.5389","0.0006","90","","107.587","0.002","90","","835.5","0.06","297","2","297","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Piperazine dihydrochloride monohydrate","","- C4 H14 Cl2 N2 O -","- C4 H14 Cl2 N2 O -","- C16 H56 Cl8 N8 O4 -","4","0.5","OB6045","Dehghanpour, Saeed; Mahmoudkhani, Amir H.; Langer, Vratislav","Redetermination of piperazine dihydrochloride monohydrate","Acta Crystallographica Section E","2001","57","7","o610","o611","10.1107/S1600536801009771","","","0.71073","MoKα","","0.0845","0.0518","","","","0.1489","","","","","","1.017","","","","has coordinates","176774","2020-10-21","18:00:00","" "2200499","10.799","0.003","12.113","0.004","13.775","0.004","104.47","0.04","99.4","0.03","101.26","0.05","1667.9","1","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","trans-5,6a-Dihydro-5-phenylisoindolo[1,2-b]benz[1,3]oxazepin-11-one","","- C22 H17 N O2 -","- C22 H17 N O2 -","- C88 H68 N4 O8 -","4","2","OB6046","Viktor Kettmann; Jan Lokaj; Christoph Kratky; Stefan Marchalin; Jana Sikoraiova","trans-5,6a-Dihydro-5-phenylisoindolo[1,2-b]benz[1,3]oxazepin-11-one","Acta Crystallographica Section E","2001","57","7","o612","o614","10.1107/S1600536801009898","","","0.71073","MoKα","","0.0999","0.0736","","","","0.1939","","","","","","1.044","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00","" "2200500","23.096","0.004","6.281","0.009","11.648","0.001","90","","116.122","0.009","90","","1517","2","293","2","293","2","","","","","","","","5","C 1 2 1","C 2y","5","Bis(L-threoninium)sulfate monohydrate","Bis(L-threoninium) sulfate monohydrate","","- C8 H22 N2 O11 S -","- C8 H22 N2 O11 S -","- C32 H88 N8 O44 S4 -","4","1","OB6047","Sridhar, B.; Srinivasan, N.; Rajaram, R. K.","Bis(L-threoninium) sulfate monohydrate","Acta Crystallographica Section E","2001","57","7","o581","o583","10.1107/S1600536801008960","","","0.71073","MoKα","","0.0336","0.0322","","","","0.0936","","","","","","0.983","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00","" "2200501","16.774","0.004","5.9697","0.0009","14.5276","0.0018","90","","98.66","0.02","90","","1438.1","0.4","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Bis(DL-aspartic acid) sulfate","Bis(DL-aspartic acid) sulfate","","- C8 H16 N2 O12 S -","- C8 H16 N2 O12 S -","- C32 H64 N8 O48 S4 -","4","1","OB6050","Srinivasan, N.; Sridhar, B.; Rajaram, R. K.","Bis(DL-aspartic acid) sulfate","Acta Crystallographica Section E","2001","57","8","o679","o681","10.1107/S1600536801010054","","","0.71069","MoKα","","0.0447","0.0355","","","","0.1073","","","","","","0.814","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00","" "2200502","27.0286","0.0004","27.0286","0.0004","13.6117","0.0005","90","","90","","90","","9944","0.4","293","2","293","2","","","","","","","","3","I 41/a :2","-I 4ad","88","6-(p-methly-benzly)6H-perchlorobenzo[cd]pyrene","","","- C26 H8 Cl10 -","- C26 H8 Cl10 -","- C416 H128 Cl160 -","16","1","OB6051","Yin Peng; Su-yuan Xie; Rong-bin Huang; Lan-sun Zheng","6-(p-Tolyl)-6H-perchlorobenzo[cd]pyrene","Acta Crystallographica Section E","2001","57","7","o617","o618","10.1107/S1600536801010066","","","0.71073","MoKα","","0.1717","0.0659","","","","0.1245","","","","","","1.047","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00","" "2200503","10.7493","0.0002","15.2255","0.0001","10.7828","0.0002","90","","93.84","0.001","90","","1760.79","0.05","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Di-4,4'-bipridine Hexacosaoxooctamolybdate","","- C20 H20 Mo8 N4 O26 -","- C20 H20 Mo8 N4 O26 -","- C40 H40 Mo16 N8 O52 -","2","0.5","OB6052","Chuan-De Wu; Can-Zhong Lu; Hong-Hui Zhuang; Jin-Shun Huang","Bis[4,4'-bipyridinium(2+)] hexacosaoxooctamolybdate","Acta Crystallographica Section E","2001","57","8","m349","m351","10.1107/S1600536801010546","","","0.71073","MoKα","","","0.0215","","","","0.054","","","","","","1.091","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00","" "2200504","10.474","0.001","30.475","0.002","10.572","0.001","90","","111.54","0.01","90","","3138.9","0.5","293","2","293","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C24 H40 Cl2 N8 Ni O8 -","- C24 H40 Cl2 N8 Ni O8 -","- C96 H160 Cl8 N32 Ni4 O32 -","4","1","OB6053","Daly, Robert I.; Taylor, Max R.; Martin, Lisandra L.","Acetonitrile{N-[2-(4,7-dimethyl-1,4,7-triazacyclonon-1-yl)ethyl]-N-[(1-methylbenzimidazol-2-yl)methyl]methylamine}nickel(II) bis(perchlorate) acetonitrile solvate","Acta Crystallographica Section E","2001","57","7","m315","m317","10.1107/S1600536801009837","","","0.71073","MoKα","","0.078","0.053","","0.132","","0.118","","","1.649","","","1.63","","","","has coordinates","176432","2020-10-21","18:00:00","" "2200505","6.0475","0.001","25.808","0.004","8.6101","0.001","90","","101.853","0.011","90","","1315.2","0.3","299","","299","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C11 H13 Cl N2 O5 -","- C11 H13 Cl N2 O5 -","- C44 H52 Cl4 N8 O20 -","4","1","OB6054","Hiroyuki Ishida; Bilkish Rahman; Setsuo Kashino","Morpholinium 4-chloro-2-nitrobenzoate","Acta Crystallographica Section E","2001","57","7","o627","o629","10.1107/S1600536801009941","","","0.71073","MoKα","","0.064","0.05","","0.115","","0.098","","","1.19","","","1.19","","","","has coordinates","176435","2020-10-21","18:00:00","" "2200506","10.6482","0.0015","5.9079","0.0012","21.084","0.003","90","","102.722","0.01","90","","1293.8","0.4","298","","298","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C11 H13 Cl N2 O5 -","- C11 H13 Cl N2 O5 -","- C44 H52 Cl4 N8 O20 -","4","1","OB6055","Hiroyuki Ishida; Bilkish Rahman; Setsuo Kashino","Morpholinium 5-chloro-2-nitrobenzoate","Acta Crystallographica Section E","2001","57","7","o630","o632","10.1107/S1600536801009953","","","0.71073","MoKα","","0.077","0.057","","0.109","","0.09","","","1.14","","","1.14","","","","has coordinates","176774","2020-10-21","18:00:00","" "2200507","5.6304","0.0015","7.2353","0.0015","19.597","0.003","90","","90","","90","","798.3","0.3","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","L-alaninium oxalate","","- C5 H9 N O6 -","- C5 H9 N O6 -","- C20 H36 N4 O24 -","4","1","OB6056","Subha Nandhini, M.; Krishnakumar, R. V.; S. Natarajan","L-Alaninium oxalate","Acta Crystallographica Section E","2001","57","7","o633","o635","10.1107/S1600536801010042","","","1.5418","CuKα","","0.0312","0.0304","","","","0.0826","","","","","","1.092","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00","" "2200508","14.446","0.003","3.963","0.001","17.807","0.007","90","","98.59","0.02","90","","1008","0.5","298","","","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C12 H7 Br N2 O -","- C12 H7 Br N2 O -","- C48 H28 Br4 N8 O4 -","4","1","OB6057","Hökelek, Tuncer; Kılıç, Emine; Dinçer, Sebla","2-Bromobenzo[c]cinnoline 6-oxide","Acta Crystallographica Section E","2001","57","7","o645","o647","10.1107/S1600536801010236","","","0.71073","MoKα","","","0.058","","","","0.051","","","","","","1.12","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00","" "2200509","9.3189","0.0002","11.6565","0.0003","12.059","0.0001","80.845","0.001","86.638","0.001","89.051","0.001","1290.97","0.04","293","2","293","2","","","","","","","","5","P -1","-P 1","2","C26 H32 Cd0.50 N5 O5","trans-Diaquatetrakis(4,4'-methylenediphenylamine-N)cadmium(II) dinitrate dihydrate","","- C52 H64 Cd N10 O10 -","- C52 H64 Cd N10 O10 -","- C52 H64 Cd N10 O10 -","1","0.5","OB6060","Wang, Ruihu; Hong, Maochun; Weng, Jiabao; Cao, Rong; Liang, Yucang; Zhao, Yingjun","trans-Diaquatetrakis(4,4'-methylenediphenylamine-N)cadmium(II) dinitrate dihydrate","Acta Crystallographica Section E","2001","57","8","m344","m345","10.1107/S1600536801011072","","","0.71073","MoKα","","0.0588","0.0442","","","","0.1259","","","","","","1.098","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00","" "2200510","10.0948","0.001","11.2408","0.001","14.055","0.003","85.524","0.011","71.679","0.011","89.852","0.014","1509","0.4","123","2","123","2","","","","","","","","4","P -1","-P 1","2","","2-[[2-[2-[2-[2-[2-(2-Hydroxyethoxy)phenoxy]ethoxy]phenoxy]ethoxy] phenoxy]methyl]benzoato-aquarubidium monohydrate","","- C32 H35 O11 Rb -","- C32 H35 O11 Rb -","- C64 H70 O22 Rb2 -","2","1","OB6061","Kasuga, N. C.; Kanda, Ryu-suke; Yamaguchi, Kazuo; Shiro, Motoo","The rubidium salt of an ω-hydroxycarboxylic acid with six ethereal O atoms","Acta Crystallographica Section E","2001","57","9","m410","m412","10.1107/S1600536801014076","","","0.71069","MoKα","","0.074","0.0397","","","","0.1148","","","","","","0.936","","","","has coordinates","201973","2020-10-21","18:00:00","" "2200511","7.2643","0.0004","10.6393","0.0006","15.6331","0.0013","90","","90","","90","","1208.24","0.14","296","","296","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","7-β-bromo-(-)-camphorsulfonimide","[3aS-(3aα,6α,7β)]-7-bromo-4,5,6,7-tetrahydro-8,8-dimethyl- 3H-3a,6-methano-2,1-benzisothiazole-2,2-dioxide","","- C10 H14 Br N O2 S -","- C10 H14 Br N O2 S -","- C40 H56 Br4 N4 O8 S4 -","4","1","OB6062","Fronczek, Frank R.; Garcia, J. Gabriel","(7-endo-Bromocamphorylsulfonyl)imine","Acta Crystallographica Section E","2001","57","9","o886","o887","10.1107/S1600536801013824","","","1.5418","CuKα","","0.061","0.057","","","","0.162","","","","","","1.152","","","","has coordinates","201973","2020-10-21","18:00:00","" "2200512","4.9846","0.0002","20.604","0.002","20.663","0.002","90","","90","","90","","2122.1","0.3","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","Bis( L-Lysinium(+)) hydrogen dichloride nitrate","Bis( L-Lysinium(+)) hydrogen dichloride nitrate","","- C12 H31 Cl2 N5 O7 -","- C12 H31 Cl2 N5 O7 -","- C48 H124 Cl8 N20 O28 -","4","1","OB6065","Srinivasan, N.; Sridhar, B.; Rajaram, R. K.","L-Lysine L-lysinium dichloride nitrate","Acta Crystallographica Section E","2001","57","9","o888","o890","10.1107/S1600536801014040","","","0.7107","MoKα","","0.1185","0.0616","","","","0.1897","","","","","","1.028","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00","" "2200513","9.773","0.001","17.404","0.002","7.44","0.001","90","","90","","90","","1265.5","0.3","295","","","","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C12 H8 Cu N4 O4 -","- C12 H8 Cu N4 O4 -","- C48 H32 Cu4 N16 O16 -","4","0.5","OM6023","Breneman, Gary L.; Howald, Carl W.; Parker, O. Jerry","Second crystal form of dinitrito(1,10-phenanthroline)copper(II)","Acta Crystallographica Section E","2001","57","7","m286","m287","10.1107/S1600536801007863","","","0.71073","MoKα","","","0.0369","","","","0.109","","","","","","1.154","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00","" "2200514","21.134","0.002","6.2537","0.0011","7.979","0.002","90","","90","","90","","1054.6","0.3","296","","296","","","","","","","","","5","P n a 21","P 2c -2n","33","","α-bromoisopropyl phenyl sulfone","","- C9 H11 Br O2 S -","- C9 H11 Br O2 S -","- C36 H44 Br4 O8 S4 -","4","1","OM6024","Robinson, Paul D.; Parady, Thomas E.; Hou, Yuqing; Meyers, Cal Y.","2-Bromo-2-propyl phenyl sulfone","Acta Crystallographica Section E","2001","57","7","o584","o586","10.1107/S1600536801007516","","","0.71069","MoKα","","0.073","0.034","","","","0.094","","","","","","1.006","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00","" "2200515","9.237","0.002","9.4592","0.0013","8.2079","0.0006","99.333","0.009","93.671","0.011","66.342","0.014","648.19","0.19","296","","296","","","","","","","","","5","P -1","-P 1","2","","α-chloroisopropyl mesityl sulfone","","- C12 H17 Cl O2 S -","- C12 H17 Cl0.998 O2 S -","- C24 H34 Cl1.996 O4 S2 -","2","1","OM6025","Meyers, Cal Y.; Hua, Duy H.; Hou, Yuqing; Robinson, Paul D.","2-Chloro-2-propyl mesityl sulfone","Acta Crystallographica Section E","2001","57","7","o587","o589","10.1107/S1600536801007528","","","0.71069","MoKα","","0.055","0.04","","","","0.121","","","","","","1.059","","","","has coordinates,has disorder,has Fobs","176435","2020-10-21","18:00:00","" "2200516","8.027","0.0008","8.0435","0.0008","13.8493","0.0013","82.232","0.002","82.359","0.002","62.242","0.002","781.52","0.13","174","2","174","2","","","","","","","","5","P -1","-P 1","2","","2-fluoro-6-iodobenzonitrile","","- C7 H3 F I N -","- C7 H3 F I N -","- C28 H12 F4 I4 N4 -","4","2","OM6026","Britton, Doyle","2-Fluoro-6-iodobenzonitrile","Acta Crystallographica Section E","2001","57","8","o702","o704","10.1107/S1600536801010923","","","0.71073","MoKα","","0.0485","0.0433","","","","0.1093","","","","","","0.984","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00","" "2200517","9.317","0.004","10.713","0.005","12.797","0.006","104.99","0.02","93.03","0.03","103.46","0.02","1191.2","1","295","","","","","","","","","","","6","P -1","-P 1","2","","","","- C17 H16 Cu N4 O4 S4 -","- C17 H16 Cu N4 O4 S4 -","- C34 H32 Cu2 N8 O8 S8 -","2","1","OM6029","Breneman, Gary L.; Aubol, Sheryl L.; Parker, O. Jerry","Diisothiocyanato[di(2-pyridyl)methanediol]copper(II) bis(dimethyl sulfoxide), [Cu(NCS)~2~(dpydiol)]·2DMSO","Acta Crystallographica Section E","2001","57","7","m288","m290","10.1107/S1600536801008534","","","0.71073","MoKα","","","0.0566","","","","0.152","","","","","","1.069","","","","has coordinates","176774","2020-10-21","18:00:00","" "2200518","18.358","0.001","6.621","0.002","8.356","0.003","90","","90","","90","","1015.7","0.5","144","1","144","1","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C12 H9 Cl O2 -","- C12 H9 Cl O2 -","- C48 H36 Cl4 O8 -","4","1","OM6031","Lehmler, Hans-Joachim; Robertson, Larry W.; Parkin, Sean","4-Chloro-3',4'-dihydroxybiphenyl","Acta Crystallographica Section E","2001","57","7","o590","o591","10.1107/S1600536801008844","","","0.71073","MoKα","","0.0464","0.0356","","","","0.0746","","","","","","1.076","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00","" "2200519","6.7683","0.0005","7.4976","0.0007","14.4864","0.0002","87.92","0.01","90.77","0.01","114.18","0.01","670.19","0.1","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C12 H11 N3 O7 -","- C12 H11 N3 O7 -","- C24 H22 N6 O14 -","2","1","OM6032","Moreno-Fuquen, Rodolfo; Cano, Felix; Martinez-Ripoll, Martin; Montaño, Angela; Zukerman-Schpector, Julio","1:1 Complex of 2,4-dinitrophenol and 4-methoxypyridine N-oxide hydrate","Acta Crystallographica Section E","2001","57","8","o712","o714","10.1107/S1600536801010790","","","1.5418","CuKα","","0.0483","0.0445","","","","0.132","","","","","","1.138","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00","" "2200520","21.148","0.0017","8.5399","0.0011","9.4229","0.001","90","","100.524","0.007","90","","1673.2","0.3","100","1","100","1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","4,5,7,8-Tetrahydro-2-(2-Propenyl)-6H-[1,3,6,2]-dioxazaborocine","","- C7 H14 B N O2 -","- C7 H14 B N O2 -","- C56 H112 B8 N8 O16 -","8","1","OM6035","Thadani, Avinash N.; Batey, Robert A.; Lough, Alan J.","4,5,7,8-Tetrahydro-2-(2-propenyl)-6H-[1,3,6,2]dioxazaborocine","Acta Crystallographica Section E","2001","57","8","o762","o763","10.1107/S1600536801011679","","","0.71073","MoKα","","0.1201","0.063","","","","0.176","","","","","","0.987","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00","" "2200521","23.63","0.005","5.582","0.002","18.004","0.006","90","","95.04","0.02","90","","2365.6","1.3","298","","298","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C15 H12 O3 -","- C15 H12 O3 -","- C120 H96 O24 -","8","1","OM6036","Kashino, Setsuo; Tanaka, Mitsuru; Todorov, Todor Dimitrov","2,2'-Dihydroxychalcone","Acta Crystallographica Section E","2001","57","8","o735","o737","10.1107/S1600536801011898","","","0.71073","MoKα","","0.052","0.048","","","","0.129","","","","","","1.17","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00","" "2200522","8.6623","0.0008","18.1338","0.0013","9.8554","0.0009","90","","105.68","0.08","90","","1490.5","0.6","100","","100","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","5,17-di-tert-butyl-25,27-dihydroxy-calix[4]arene","","","- C38 H44 O2 -","- C38 H44 O2 -","- C76 H88 O4 -","2","0.5","OM6037","Jeffrey C. Bryan; Richard A. Sachleben; Agathe Urvoas","5,17-Di-tert-butyl-25,27-dihydroxycalix[4]arene","Acta Crystallographica Section E","2001","57","8","o781","o782","10.1107/S160053680101220X","","","0.71073","MoKα","","0.056","0.039","","","","0.108","","","","","","1.03","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00","" "2200523","27.726","0.003","12.412","0.002","16.087","0.003","90","","110.46","0.02","90","","5186.9","1.6","213","2","213","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","Me~2~Ph~2~C~2~(ν^5^-C~5~H~4~)~2~Ca(DME)","","","- C30 H34 Ca O2 -","- C30 H34 Ca O2 -","- C240 H272 Ca8 O16 -","8","1","OM6038","Twamley, Brendan; Matare, Gilbert J.; Shapiro, Pamela J.; Vij, Ashwani","ansa-Calcocenes: trans-Ph~2~(CH~3~)~2~C~2~(η^5^-C~5~H~4~)~2~Ca(DME)","Acta Crystallographica Section E","2001","57","9","m402","m403","10.1107/S1600536801013265","","","0.71073","MoKα","","0.067","0.062","","","","0.117","","","","","","1.29","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00","" "2200524","16.5784","0.0011","7.1077","0.0005","12.1751","0.0008","90","","95.475","0.002","90","","1428.1","0.17","298","2","298","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","3-Pyridylmethyl urea dihydrate","","","- C13 H18 N4 O3 -","- C13 H18 N4 O3 -","- C52 H72 N16 O12 -","4","0.5","OM6039","Harrison, William T. A.","3-Pyridylmethyl urea dihydrate","Acta Crystallographica Section E","2001","57","8","o783","o785","10.1107/S1600536801012211","","","0.71073","MoKα","","0.037","0.03","","","","0.09","","","","","","1.06","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00","" "2200525","5.5873","0.0011","7.3864","0.0017","23.688","0.003","90","","90","","90","","977.6","0.3","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","L-alaninium maleate","","- C7 H11 N O6 -","- C7 H11 N O6 -","- C28 H44 N4 O24 -","4","1","OM6040","Alagar, M.; Krishnakumar, R. V.; Subha Nandhini, M.; Natarajan, S.","L-Alaninium maleate","Acta Crystallographica Section E","2001","57","9","o855","o857","10.1107/S1600536801013149","","","1.5418","CuKα","","0.0371","0.0354","","","","0.106","","","","","","1.1","","","","has coordinates","201973","2020-10-21","18:00:00","" "2200526","17.501","0.004","18.875","0.005","14.999","0.004","113.137","0.019","101.89","0.02","74.3","0.02","4358","2","296","","296","","","","","","","","","6","P -1","-P 1","2","","2,4,6-Tris(1'-phenylthio-1-ferrocenyl)boroxin","","- C48 H39 B3 Fe3 O3 S3 -","- C48 H39 B3 Fe3 O3 S3 -","- C192 H156 B12 Fe12 O12 S12 -","4","2","OM6042","Hua, Duy H.; McGill, James W.; Robinson, Paul D.; Meyers, Cal Y.","2,4,6-Tris(1'-phenylthio-1-ferrocenyl)boroxin","Acta Crystallographica Section E","2001","57","9","m413","m415","10.1107/S1600536801013988","","","0.71069","MoKα","","0.265","0.047","","","","0.158","","","","","","0.934","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00","" "2200527","6.7249","0.0005","9.979","0.002","11.1574","0.001","90","","90","","90","","748.75","0.17","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C4 H4 N4 O7 -","- C4 H4 N4 O7 -","- C16 H16 N16 O28 -","4","1","OM6043","Gilardi, Richard D.; Butcher, Ray J.","6,8-Dinitro-2,4-dioxa-6,8-diazabicyclo[3.3.0]octan-3-one","Acta Crystallographica Section E","2001","57","9","o891","o892","10.1107/S1600536801013915","","","0.71073","MoKα","","0.0413","0.0333","","","","0.0923","","","","","","1.065","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00","" "2200528","6.1295","0.0006","7.8227","0.0006","8.3961","0.0008","113.592","0.007","93.831","0.004","95.557","0.004","364.74","0.06","150","2","150","2","","","","","","","","4","P -1","-P 1","2","Ethyl 2-aminooxazole-5-carboxylate","","","- C6 H8 N2 O3 -","- C6 H8 N2 O3 -","- C12 H16 N4 O6 -","2","1","OM6045","Kennedy, Alan R.; Khalaf, Abedawn I.; Suckling, Colin J.; Waigh, Roger D.","Ethyl 2-aminooxazole-5-carboxylate","Acta Crystallographica Section E","2001","57","9","o832","o833","10.1107/S1600536801013058","","","0.71073","MoKα","","0.0847","0.05","","","","0.1264","","","","","","1.061","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00","" "2200529","3.9758","0.0007","22.489","0.004","9.7419","0.0016","90","","99.255","0.003","90","","859.7","0.3","294","2","294","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","4'-fluoro-2'-nitroacetanilide","","- C8 H7 F N2 O3 -","- C8 H7 F N2 O3 -","- C32 H28 F4 N8 O12 -","4","1","TK6018","Qi, Jianying; Zhou, Zhongyuan; Liu, Dongsheng; Chan, Albert S. C.","4'-Fluoro-2'-nitroacetanilide","Acta Crystallographica Section E","2001","57","8","o675","o676","10.1107/S1600536801010704","","","0.71073","MoKα","","0.075","0.05","","","","0.168","","","","","","1.06","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00","" "2200530","4.7103","0.0008","11.684","0.002","21.352","0.004","90","","90.043","0.003","90","","1175.1","0.4","150","2","150","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","6-methylflavone","","","- C16 H12 O2 -","- C16 H12 O2 -","- C64 H48 O8 -","4","1","TK6019","Hall, Belinda J.; Hanrahan, Jane R.; Johnston, Graham A. R.; Hambley, Trevor W.; Hibbs, David E.","6-Methylflavone","Acta Crystallographica Section E","2001","57","7","o592","o593","10.1107/S1600536801008571","","","0.71073","MoKα","","0.085","0.045","","","","0.127","","","","","","0.934","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00","" "2200531","10.0236","0.0009","9.098","0.003","10.357","0.001","90","","90","","90","","944.5","0.3","273","","","","","","","","","","","5","C m c m","-C 2c 2","63","","","","- Cl2 Cr H15 N6 O -","- Cl Cr0.25 H12.5 N2.5 O0.25 -","- Cl4 Cr H50 N10 O -","4","0.25","TK6023","Akashi, Haruo; Mori, Masayasu; Shibahara, Takashi","Pentaamminenitrosylchromium(III) dichloride","Acta Crystallographica Section E","2001","57","9","i75","i76","10.1107/S1600536801012983","","","0.7107","MoKα","","","0.044","","","","0.117","","","","","","0.83","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00","" "2200532","9.3364","0.0009","20.948","0.002","9.6251","0.0009","90","","117.425","0.002","90","","1670.9","0.3","294","2","294","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","trans-Tetrachloro-bis(triphenylphosphine)osmium(IV)","","- C36 H30 Cl4 Os P2 -","- C36 H30 Cl4 Os P2 -","- C72 H60 Cl8 Os2 P4 -","2","0.5","TK6024","Li, Zhengkai; Zhou, Zhongyuan","trans-Tetrachlorobis(triphenylphosphine)osmium(IV)","Acta Crystallographica Section E","2001","57","7","m291","m292","10.1107/S1600536801008698","","","0.71073","MoKα","","0.046","0.032","","","","0.078","","","","","","0.98","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00","" "2200533","10.874","0.004","13.517","0.005","12.057","0.004","90","","101.717","0.005","90","","1735.3","1.1","168","2","168","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C15 H17 Cl2 N O2 S Ti -","- C15 H17 Cl2 N O2 S Ti -","- C60 H68 Cl8 N4 O8 S4 Ti4 -","4","1","TK6025","Lensink, Cornelis; Gainsford, Graeme J.; Hosie, Camila F.","Dichloro{η^5^:η^1^-[2-(p-tolylsulfonamido)prop-1-yl]cyclopentadienyl}titanium","Acta Crystallographica Section E","2001","57","7","m293","m294","10.1107/S1600536801008856","","","0.71073","MoKα","","0.111","0.056","","","","0.132","","","","","","1.03","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00","" "2200534","13.7198","0.0001","15.3812","0.0002","13.8702","0.0002","90","","110.387","0.0005","90","","2743.64","0.06","150","2","150","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","Dichloro[N,N'-bis(2,6-diisopropylphenyl)-1,2-ethanediimine-N,N']palladium","","- C26 H36 Cl2 N2 Pd -","- C26 H36 Cl2 N2 Pd -","- C104 H144 Cl8 N8 Pd4 -","4","1","TK6026","Comerlato, Nadia M.; Crossetti, Geraldo L.; Howie, R. Alan; Tibultino, Pollyanna C.D.; Wardell, James L.","Dichloro[N,N'-bis(2,6-diisopropylphenyl)-1,2-ethanediimine-N,N']palladium","Acta Crystallographica Section E","2001","57","7","m295","m297","10.1107/S1600536801008704","","","0.71073","MoKα","","0.037","0.029","","","","0.075","","","","","","1.08","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00","" "2200535","5.2472","0.0001","5.2528","0.0001","58.726","0.001","90","","92.543","0.001","90","","1617.04","0.05","153","2","153","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C19 H18 O4 -","- C19 H18 O4 -","- C76 H72 O16 -","4","2","TK6027","Deschamps, Jeffrey R.; George, Clifford; Flippen-Anderson, Judith L.; Spencer, Gayland","A new Cryptocarya lactone","Acta Crystallographica Section E","2001","57","7","o648","o649","10.1107/S1600536801010273","","","1.54178","CuKα","","0.057","0.057","","","","0.164","","","","","","0.99","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00","" "2200536","14.6546","0.0005","14.7082","0.0005","20.3235","0.0007","90","","103.789","0.001","90","","4254.3","0.3","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C36 H48 Co4 O16 -","- C36 H48 Co4 O16 -","- C144 H192 Co16 O64 -","4","1","","Wang, Ruihu; Hong, Maochun; Su, Weiping; Cao, Rong","Tetra-μ~3~-methanolato-tetrakis[(2-formylphenolato-O)(methanol-O)cobalt(II)]","Acta Crystallographica, Section E","2001","57","","m325","m665","10.1107/S1600536801010479","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00","" "2200537","11.821","0.002","10.7618","0.0018","6.3146","0.0011","90","","101.86","0.014","90","","786.2","0.2","295","2","295","2","","","","","","","","3","P 1 21/a 1","-P 2yab","14","Racemic 6-exo-hydroxybicyclo[2.2.1]heptane-2-exo-carboxylic acid","Racemic 6-exo-hydroxybicyclo[2.2.1]heptane-2-exo-carboxylic acid","","- C8 H12 O3 -","- C8 H12 O3 -","- C32 H48 O12 -","4","1","TK6030","Smith, Graham; Bott, Raymond C.; Jenkins, Ian D.; Wermuth, Urs D.","Racemic 6-exo-hydroxybicyclo[2.2.1]heptane-2-exo-carboxylic acid","Acta Crystallographica Section E","2001","57","8","o788","o789","10.1107/S1600536801012223","","","0.71069","MoKα","","0.076","0.043","","","","0.132","","","","","","1.04","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00","" "2200538","14.325","0.004","8.536","0.008","11.513","0.004","90","","91.56","0.02","90","","1407.3","1.5","295","","295","2","","","","","","","","4","C 1 c 1","C -2yc","9","","5-acetamido-1,1,3,3-tetramethylisoindolin-2-yloxyl","","- C14 H19 N2 O2 -","- C14 H19 N2 O2 -","- C56 H76 N8 O8 -","4","1","TK6031","Graham Smith; Steven E. Bottle; Damien A. Reid; Raymond C. Bott","An isoindoline EPR label: 5-acetamido-1,1,3,3-tetramethylisoindolin-2-yloxyl","Acta Crystallographica Section E","2001","57","8","o786","o787","10.1107/S1600536801010716","","","0.71069","MoKα","","0.113","0.039","","","","0.125","","","","","","1.03","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00","" "2200539","11.3122","0.0007","16.2035","0.0009","14.2663","0.0008","90","","104.046","0.01","90","","2536.8","0.3","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","carbonyl(tropolonato)(ferrocenyldiphenylphosphine)rhodium(I)","","- C30 H24 Fe O3 P Rh -","- C30 H24 Fe O3 P Rh -","- C120 H96 Fe4 O12 P4 Rh4 -","4","1","TK6032","Steyl, Gideon; Otto, Stefanus; Roodt, Andreas","Carbonyl(ferrocenyldiphenylphosphine)(tropolonato)rhodium(I)","Acta Crystallographica Section E","2001","57","8","m352","m354","10.1107/S1600536801011448","","","0.71073","MoKα","","0.036","0.026","","","","0.062","","","","","","1.08","","","","has coordinates,has disorder,has Fobs","176435","2020-10-21","18:00:00","" "2200540","6.94","0.001","10.351","0.002","10.857","0.002","69.72","0.03","81.28","0.03","75.75","0.03","707.2","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","μ-Succinato-bis[aquanitrato(1,10-phenanthroline)copper(II)]","","- C28 H24 Cu2 N6 O12 -","- C28 H24 Cu2 N6 O12 -","- C28 H24 Cu2 N6 O12 -","1","0.5","TK6033","Long, La-Sheng; Wang, Peng-Ju; Chen, Xiao-Yun; Fang, Xue-Ming; Ng, Seik Weng","μ-Succinato-bis[aquanitrato(1,10-phenanthroline)copper(II)]","Acta Crystallographica Section E","2001","57","8","m328","m330","10.1107/S1600536801010571","","","0.71073","MoKα","","0.071","0.053","","","","0.124","","","","","","1.02","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00","" "2200541","7.212","0.003","10.139","0.003","11.337","0.005","73.67","0.03","82.67","0.03","85.04","0.03","787.9","0.5","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H12 Cu N2 O10 -","- C14 H12 Cu N2 O10 -","- C28 H24 Cu2 N4 O20 -","2","1","WN6019","Liang, Yucang; Hong, Maochun; Cao, Rong; Shi, Qian","Bis(pyridine-2,4-dicarboxylato)copper(II) dihydrate","Acta Crystallographica Section E","2001","57","8","m380","m381","10.1107/S1600536801011333","","","0.71073","MoKα","","","0.0355","","","","0.0978","","","","","","1.04","","","","has coordinates,has Fobs","211196","2020-10-21","18:00:00","" "2200542","14.8323","0.0007","14.8323","0.0007","30.0976","0.001","90","","90","","90","","6621.4","0.5","230","2","230","2","","","","","","","","4","I 41/a c d :2","-I 4bd 2c","142","Methylzinc tert-butoxide, thf solvate","tetra-μ~3~-tert-butoxo-tetrakis(methylzinc) tetrahydrofuran solvate","","- C24 H56 O5 Zn4 -","- C24 H56 O5 Zn4 -","- C192 H448 O40 Zn32 -","8","0.25","WN6021","Bond, Andrew D.; Linton, David J.; Wheatley, Andrew E. H.","Methylzinc tert-butoxide tetrahydrofuran solvate","Acta Crystallographica Section E","2001","57","7","m298","m300","10.1107/S1600536801009667","","","0.71073","MoKα","","0.0587","0.0389","","","","0.1097","","","","","","1.077","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00","" "2200543","5.929","0.002","14.133","0.002","10.3892","0.0012","90","","95.065","0.016","90","","867.2","0.3","273","1","273","1","","","","","","","","3","P 1 21 1","P 2yb","4","","[3E]-3-deoxy-3-C-ethoxycarbonylmethylene-1,2:5,6-di-O-isopropylidene- α-D-ribohexofuranose","","- C16 H24 O7 -","- C16 H24 O7 -","- C32 H48 O14 -","2","1","WN6022","Linden, Anthony; Lee, C. Kuan; Siew, Kum Fong","[3E]-3-Deoxy-3-C-ethoxycarbonylmethylene-1,2:5,6-di-O-isopropylidene-α-D-ribohexofuranose","Acta Crystallographica Section E","2001","57","7","o594","o595","10.1107/S1600536801009710","","","0.71069","MoKα","","0.1424","0.0638","","","","0.2001","","","","","","1.014","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00","" "2200544","5.7499","0.0002","18.097","0.0011","16.0028","0.0008","90","","91.421","0.003","90","","1664.67","0.14","180","2","180","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","3-(phenylpropyl)diphenylphosphine","Diphenyl(3-phenylpropyl)phosphine","","- C21 H21 P -","- C21 H21 P -","- C84 H84 P4 -","4","1","WN6023","Bond, Andrew D.; Brown, David B.; Harper, Joanne R.; Johnson, Brian F. G.","Diphenyl(3-phenylpropyl)phosphine","Acta Crystallographica Section E","2001","57","7","o615","o616","10.1107/S1600536801009783","","","0.71073","MoKα","","0.0999","0.0515","","","","0.1531","","","","","","0.991","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00","" "2200545","8.623","0.005","12.091","0.004","15.436","0.007","90","","100.59","0.04","90","","1582","1.3","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Diaquabis(pyridine-2,5-dicarboxylato)cobalt(II)","","- C14 H12 Co N2 O10 -","- C14 H12 Co N2 O10 -","- C56 H48 Co4 N8 O40 -","4","0.5","WN6024","Liang, Yucang; Cao, Rong; Hong, Maochun; Shi, Qian; Sun, Daofeng; Weng, Jiabao","Diaquabis(pyridine-2,5-dicarboxylato)cobalt(II)","Acta Crystallographica Section E","2001","57","8","m382","m383","10.1107/S1600536801011436","","","0.71073","MoKα","","0.0358","0.0293","","","","0.0775","","","","","","1.094","","","","has coordinates,has Fobs","211196","2020-10-21","18:00:00","" "2200546","29.332","0.003","3.8551","0.0002","11.0753","0.0011","90","","99.341","0.003","90","","1235.76","0.19","100","2","100","2","","","","","","","","4","C 1 2 1","C 2y","5","","2-(2-pyridyl)-4-methylcarboxyquinoline","","- C16 H12 N2 O2 -","- C16 H12 N2 O2 -","- C64 H48 N8 O8 -","4","1","WN6025","Farah, Abdiaziz A.; Pietro, William J.","Methyl 2-(2-pyridyl)quinoline-4-carboxylate","Acta Crystallographica Section E","2001","57","8","o677","o678","10.1107/S1600536801010595","","","0.71073","MoKα","","0.0494","0.0407","","","","0.1067","","","","","","0.887","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00","" "2200547","6.879","0.002","29.563","0.009","8.511","0.003","90","","99.11","0.02","90","","1709","0.9","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","N-[(R)-3-methyl-2-butyl]-(S)-2-(6-methoxy-2-naphthyl)propionamide","","- C19 H25 N O2 -","- C19 H25 N O2 -","- C76 H100 N4 O8 -","4","2","WN6026","Dupont, Léon; Khelili, Smail; Pirotte, Bernard; Tinant, Bernard; de Tullio, Pascal","Absolute configuration of N-[(R)-3-methyl-2-butyl]-(S)-2-(6-methoxy-2-naphthyl)propionamide","Acta Crystallographica Section E","2001","57","7","o650","o651","10.1107/S1600536801010285","","","0.71069","MoKα","","0.0571","0.0531","","","","0.1495","","","","","","1.059","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00","" "2200548","16.181","0.002","11.625","0.002","7.938","0.003","90","","90","","90","","1493.2","0.6","296.2","","","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C8 H8 O4 -","- C8 H8 O4 -","- C64 H64 O32 -","8","1","WN6027","Okabe, Nobuo; Kyoyama, Hasuyo","3,4-Dihydroxyphenylacetic acid","Acta Crystallographica Section E","2001","57","8","o715","o716","10.1107/S1600536801011151","","","0.7107","MoKα","","","0.0511","","","","0.2202","","","","","","0.842","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00","" "2200549","9.6233","0.0002","10.7356","0.0002","17.2999","0.0003","90","","91.624","0.001","90","","1786.57","0.06","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Bis(N-methyl-N-phenylthiocarbamoyl) disulfide","","- C16 H16 N2 S4 -","- C16 H16 N2 S4 -","- C64 H64 N8 S16 -","4","1","WN6028","Hoong-Kun Fun; Suchada Chantrapromma; Ibrahim Abdul Razak; Fengli Bei; Fangfang Jian; Xujie Yang; Lude Lu; Xin Wang","Bis(N-methyl-N-phenylthiocarbamoyl) disulfide","Acta Crystallographica Section E","2001","57","8","o717","o718","10.1107/S1600536801011412","","","0.71073","MoKα","","0.1166","0.0708","","","","0.2157","","","","","","0.985","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00","" "2200550","9.0136","0.0018","12.96","0.006","6.3936","0.0013","90","","100.77","0.03","90","","733.7","0.4","294","2","294","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","2,6-diamino-3,5-dinitro-1,4-pyrazine","2,6-diamino-3,5-dinitro-1,4-pyrazine","","- C4 H4 N6 O4 -","- C4 H4 N6 O4 -","- C16 H16 N24 O16 -","4","1","WN6029","Gilardi, Richard D.; Butcher, Ray J.","2,6-Diamino-3,5-dinitropyrazine","Acta Crystallographica Section E","2001","57","8","o738","o740","10.1107/S1600536801011734","","","0.71073","MoKα","","0.0957","0.0642","","","","0.1868","","","","","","1.035","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00","" "2200551","5.7817","0.0005","8.1353","0.0008","12.027","0.0011","99.253","0.002","94.113","0.002","92.482","0.002","556.04","0.09","93","2","93","2","","","","","","","","5","P -1","-P 1","2","2,6-diamino-3,5-dinitro-1,4-pyrazine dimethyl sulfoxide solvate","2,6-diamino-3,5-dinitro-1,4-pyrazine dimethyl sulfoxide solvate","","- C6 H10 N6 O5 S -","- C6 H10 N6 O5 S -","- C12 H20 N12 O10 S2 -","2","1","WN6030","Gilardi, Richard D.; Butcher, Ray J.","2,6-Diamino-3,5-dinitro-1,4-pyrazine dimethyl sulfoxide solvate","Acta Crystallographica Section E","2001","57","8","o757","o759","10.1107/S1600536801011722","","","0.71073","MoKα","","0.0376","0.035","","","","0.0909","","","","","","1.144","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00","" "2200552","8.0762","0.0011","9.9366","0.0013","14.1558","0.0019","90","","90","","90","","1136","0.3","293","2","293","2","","","","","","","","5","P n a 21","P 2c -2n","33","","Poly[(2,2'-bipyridine)copper(II)-μ~4~-oxalato]","","- C12 H8 Cu N2 O4 -","- C12 H8 Cu N2 O4 -","- C48 H32 Cu4 N8 O16 -","4","1","WN6031","Luo, Junhua; Hong, Maochun; Liang, Yucang; Cao, Rong","Poly[(2,2'-bipyridine)copper(II)-μ~4~-oxalato]","Acta Crystallographica Section E","2001","57","8","m361","m362","10.1107/S1600536801011874","","","0.71073","MoKα","","0.0932","0.0511","","","","0.1085","","","","","","1.05","","","","has coordinates","211196","2020-10-21","18:00:00","" "2200553","9.2024","0.0011","7.5897","0.0009","9.7251","0.0011","90","","101.79","0.002","90","","664.9","0.13","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","trans-Bis(dicyanamido-N)-trans-bis(imidazole-N')copper(II) [Cu({N(CN)~2~}~2~(C~3~H~4~N~2~)~2~]","","- C10 H8 Cu N10 -","- C10 H8 Cu N10 -","- C20 H16 Cu2 N20 -","2","0.5","WN6032","Luo, Junhua; Hong, Maochun; Liang, Yucang; Cao, Rong","trans-Bis(dicyanamido-N)-trans-bis(imidazole-N')copper(II)","Acta Crystallographica Section E","2001","57","8","m359","m360","10.1107/S1600536801011710","","","0.71073","MoKα","","0.0882","0.0528","","","","0.1332","","","","","","1.023","","","","has coordinates,has Fobs","211196","2020-10-21","18:00:00","" "2200554","4.8558","0.001","8.1621","0.0016","15.919","0.003","90","","92.16","0.03","90","","630.5","0.2","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","N-(3-Pyridyl)urea","N-(3-Pyridyl)urea","","- C6 H7 N3 O -","- C6 H7 N3 O -","- C24 H28 N12 O4 -","4","1","WN6033","Sumod George; Ashwini Nangia","N-(3-Pyridyl)urea","Acta Crystallographica Section E","2001","57","8","o719","o720","10.1107/S1600536801011424","","","0.71073","MoKα","","0.0638","0.0449","","","","0.1336","","","","","","1.079","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00","" "2200555","8.577","0.002","10.997","0.003","12.327","0.003","92.56","0.02","93.38","0.02","106.67","0.02","1109.6","0.5","293","","293","","","","","","","","","2","P -1","-P 1","2","","","","- C30 H28 -","- C30 H28 -","- C60 H56 -","2","1","WN6034","Spagna, Riccardo; Cascarano, Giovanni Luca; Ciminale, Francesco; Farinola, Gianluca M.; Lopez, Luigi","1,3-Diphenyl-1-o-tolyl-3,4-dimethylindan","Acta Crystallographica Section E","2001","57","8","o741","o743","10.1107/S1600536801011825","","","1.54178","CuKα","","0.045","0.045","","0.057","","0.057","","","0.944","","","0.944","","","","has coordinates","176774","2020-10-21","18:00:00","" "2200556","11.5563","0.0001","9.9957","0.0002","42.9208","0.001","90","","91.3492","0.0015","90","","4956.55","0.16","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","asco6d","desoxazoline-ascidiacyclamide dimer (DMF & H2O solvated) cyclo(-Ile-Thr-D-Val-Thz-Ile-D-alloIle-D-Val-Thz-)2 [Thz = thiazole, Thr = (2S,3R), D-alloThr = (2R,3R)]","","- C81 H135 N19 O20 S4 -","- C81 H135 N19 O20 S4 -","- C162 H270 N38 O40 S8 -","2","1","WN6037","Asano, Akiko; Taniguchi, Taizo; Sasaki, Masahiro; Hasegawa, Hiroshi; Katsuya, Yoshio; Doi, Mitsunobu","A β-sheet structure formed by C‒H···O hydrogen bonds between the thiazole rings and amide bonds of a dimeric desoxazoline ascidiacyclamide analogue","Acta Crystallographica Section E","2001","57","9","o834","o838","10.1107/S160053680101279X","","","0.836","synchrotron","","0.0973","0.0967","","","","0.2592","","","","","","1.248","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00","" "2200557","22.7045","0.0006","11.1044","0.0003","14.2366","0.0002","90","","90","","90","","3589.33","0.14","180","2","180","2","","","","","","","","4","P b c n","-P 2n 2ab","60","NTA‒1,10-phenanthroline‒water (1/1/1)","Nitrilotriacetic acid‒1,10-phenanthroline‒water (1/1/1)","","- C18 H19 N3 O7 -","- C18 H19 N3 O7 -","- C144 H152 N24 O56 -","8","1","WN6038","Shan, Ning; Bond, Andrew D.; Jones, William","NTA‒1,10-phenanthroline‒water (1/1/1)","Acta Crystallographica Section E","2001","57","8","o811","o813","10.1107/S1600536801012612","","","0.71073","MoKα","","0.0517","0.0398","","","","0.1019","","","","","","1.03","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00","" "2200558","8.0299","0.0016","12.765","0.003","10.587","0.002","90","","92.11","0.03","90","","1084.4","0.4","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C8 H16 N2 O4 -","- C8 H16 N2 O4 -","- C32 H64 N8 O16 -","4","1","WN6039","Gelbrich, Thomas; Kilburn, Jeremy D.; Hursthouse, Michael B.","Diisopropyl hydrazocarboxylate","Acta Crystallographica Section E","2001","57","8","o796","o797","10.1107/S1600536801012648","","","0.71073","MoKα","","0.1033","0.0691","","","","0.1433","","","","","","1.055","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00","" "2200559","7.3718","0.0003","18.5164","0.0007","8.9123","0.0001","90","","111.913","0.001","90","","1128.63","0.06","297","2","297","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","p-Phenylazoaniline Hydrochloride","","- C12 H12 Cl N3 -","- C12 H12 Cl N3 -","- C48 H48 Cl4 N12 -","4","1","WN6041","Mahmoudkhani, Amir H.; Langer, Vratislav","Zigzag hydrogen-bonded sheets in the structure of p-phenylazoaniline hydrochloride","Acta Crystallographica Section E","2001","57","9","o839","o841","10.1107/S1600536801012971","","","0.71073","MoKα","","0.0681","0.0515","","","","0.1503","","","","","","1.051","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00","" "2200560","7.1245","0.0003","17.183","0.0007","17.3367","0.0007","90","","94.64","0.001","90","","2115.41","0.15","183","2","183","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","1,1,4,4-tetra(isopropyl)piperazinium tetrachlorocobaltate(II)","","- C16 H36 Cl4 Co N2 -","- C16 H36 Cl4 Co N2 -","- C64 H144 Cl16 Co4 N8 -","4","1","WN6042","Mahmoudkhani, Amir H.; Langer, Vratislav; Casari, Barbara M.","Two-dimensional network of C‒H···Cl‒Co hydrogen bonds in the structure of 1,1,4,4-tetraisopropylpiperazinium tetrachlorocobaltate(II)","Acta Crystallographica Section E","2001","57","9","m393","m395","10.1107/S1600536801012843","","","0.71073","MoKα","","0.0835","0.0482","","","","0.1294","","","","","","0.987","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00","" "2200561","9.577","0.003","16.039","0.003","16.127","0.002","90","","90","","90","","2477.2","1","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","N-methyl-2-methyl-3-furanthiocarboxanilyd","","- C13 H13 N O S -","- C13 H13 N O S -","- C104 H104 N8 O8 S8 -","8","1","WN6043","Popović, Jasminka; Mrvoš-Sermek, Draginja; Tralić-Kulenović, Vesna","N,2-Dimethyl-3-furanthiocarboxanilide","Acta Crystallographica Section E","2001","57","9","o893","o894","10.1107/S1600536801013472","","","0.71073","MoKα","","0.1336","0.0531","","","","0.1667","","","","","","0.965","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00","" "2200562","7.075","0.003","8.783","0.005","12.469","0.005","105.85","0.04","93.44","0.03","106.89","0.03","705","0.6","293","2","","","","","","","","","","4","P -1","-P 1","2","","4-(4-ethoxyphenylamino)-2-oxo-1,2-dihydroquinoline","","- C17 H16 N2 O2 -","- C17 H16 N2 O2 -","- C34 H32 N4 O4 -","2","1","YA6028","Rybakov, Victor B.; Chernyshev, Vladimir V.; Ukrainets, Igor V.; Bezugly, Peter A.; Sidorenko, Lyudmila V.; Skaif, Nicola","4-(4-Ethoxyphenylamino)-2-oxo-1,2-dihydroquinoline","Acta Crystallographica Section E","2001","57","8","o721","o722","10.1107/S160053680101100X","","","0.71073","MoKα","","","0.046","","","","0.104","","","","","","1.1","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00","" "2200563","4.026","0.005","14.682","0.009","20.728","0.012","90","","90.27","0.02","90","","1225.2","1.8","293","2","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","N^s^,N^o^‒diphenyl(thiooxamide)","","- C14 H12 N2 O S -","- C14 H12 N2 O S -","- C56 H48 N8 O4 S4 -","4","1","YA6029","Rybakov, Victor B.; Babaev, Eugene V.; Dlinnykh, Ylya V.","N^S^,N^O^-Diphenyl(thiooxamide)","Acta Crystallographica Section E","2001","57","8","o814","o815","10.1107/S1600536801012752","","","0.71073","MoKα","","","0.047","","","","0.117","","","","","","0.95","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00","" "2200564","16.292","0.001","18.404","0.001","25.317","0.002","90","","90","","90","","7591","0.9","150","2","150","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","dichloro{1,2-bis(diphenylphosphino)ethane-P,P'} palladium(II) tris(deuterochloroform) solvate","","- C29 H24 Cl11 D3 P2 Pd -","- C29 H24 Cl11 D3 P2 Pd -","- C232 H192 Cl88 D24 P16 Pd8 -","8","2","YA6030","Batsanov, Andrei S.; Howard, Judith A. K.; Robertson, Graham S.; Kilner, Melvyn","[1,2-Bis(diphenylphosphino)ethane-P,P']dichloropalladium(II) tris(deuterochloroform) solvate","Acta Crystallographica Section E","2001","57","7","m301","m304","10.1107/S1600536801008728","","","0.71073","MoKα","","0.105","0.063","","","","0.099","","","","","","1.78","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00","" "2200565","10.415","0.002","9.466","0.002","14.357","0.006","90","","105.88","0.02","90","","1361.4","0.7","173","","173","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C13 H11 Cl Cu N2 O4 -","- C13 H11 Cl Cu N2 O4 -","- C52 H44 Cl4 Cu4 N8 O16 -","4","1","YA6031","Bhar, Mallika; Chaudhury, Muktimoy; Tiekink, Edward R. T.","Copper(II)-induced methanolysis of a stable enediol: isolation and crystallographic characterization of chloro(methylpicolinato-N,O)(picolinato-N,O)copper(II)","Acta Crystallographica Section E","2001","57","7","m305","m307","10.1107/S160053680100873X","","","0.71069","MoKα","","0.049","0.028","","","","0.081","","","","","","1.03","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00","" "2200566","22.97","0.006","20.005","0.004","8.048","0.002","90","","90","","90","","3698.2","1.5","120","2","120","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","trans-Dichloro-bis(triphenylphosphine)nickel(II) bis(dichloromethane) solvate","","- C38 H34 Cl6 Ni P2 -","- C38 H34 Cl6 Ni P2 -","- C152 H136 Cl24 Ni4 P8 -","4","0.5","YA6032","Batsanov, Andrei S.; Howard, Judith A. K.","trans-Dichlorobis(triphenylphosphine)nickel(II) bis(dichloromethane) solvate: redetermination at 120K","Acta Crystallographica Section E","2001","57","7","m308","m309","10.1107/S1600536801008741","","","0.71073","MoKα","","0.04","0.029","","","","0.074","","","","","","1.07","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00","" "2200567","7.058","0.004","16.212","0.008","17.029","0.009","90","","90","","90","","1948.5","1.8","293","","","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","(R)-1-{(2-Oxo-1,2-dihydroquinolin-6-yl)[3-(trifluoromethyl)phenyl]methyl}- 1H-1,2,4-triazol-4-ium bromide","","- C19 H14 Br F3 N4 O -","- C19 H14 Br F3 N4 O -","- C76 H56 Br4 F12 N16 O4 -","4","1","YA6033","Oswald M. Peeters; Norbert M. Blaton; Camiel J. De Ranter","(R)-1-{(2-Oxo-1,2-dihydroquinolin-6-yl)[3-(trifluoromethyl)phenyl]methyl}-1H-1,2,4-triazol-4-ium bromide","Acta Crystallographica Section E","2001","57","7","o655","o656","10.1107/S1600536801010315","","","0.71073","MoKα","","0.068","0.034","","0.064","","0.064","","","1.04","","","1.04","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00","" "2200568","9.4442","0.0009","13.725","0.001","15.703","0.001","90","","90","","90","","2035.4","0.3","293","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","N-{4-[(1S,2S)-2-(Dimethylamino)-1-(1H-imidazol-1-yl)propyl]phenyl}- 2-benzothiazolamine","","- C21 H23 N5 S -","- C21 H23 N5 S -","- C84 H92 N20 S4 -","4","1","YA6034","Oswald M. Peeters; Norbert M. Blaton; Camiel J. De Ranter","(+)-N-{4-[(1S,2S)-2-(Dimethylamino)-1-(1H-imidazol-1-yl)propyl]phenyl}-2-benzothiazolamine","Acta Crystallographica Section E","2001","57","8","o723","o724","10.1107/S1600536801011230","","","1.54184","CuKα","","0.058","0.049","","0.145","","0.145","","","1.07","","","1.07","","","","has coordinates","176435","2020-10-21","18:00:00","" "2200569","7.2397","0.0013","36.724","0.008","7.304","0.002","90","","115.69","0.02","90","","1750","0.7","291","2","291","2","","","","","","","","3","P 1 21 1","P 2yb","4","Ludongnin","octahydro-5'-hydroxy-7a-methyl-8'- methylene-spiro[ isobenzofuran-4( 1H ), 4' ( 3'H )-[ 1H-7, 9a ] methanocyclohepta[c]pyran ]-1', 3, 9'( 3aH, 4'aH )-trione","","- C20 H24 O6 -","- C20 H24 O6 -","- C80 H96 O24 -","4","2","YA6035","Shi, Hao; Pan, Yuan Jiang; Jin, Zhi Min","Natural diterpenoid ludongnin, octahydro-5'-hydroxy-7a-methyl-8'-methylenespiro[isobenzofuran-4(1H),4'(3'H)-[1H-7,9a]methanocyclohepta[c]pyran]-1',3,9'(3aH,4'aH)-trione","Acta Crystallographica Section E","2001","57","8","o685","o687","10.1107/S1600536801010078","","","0.71073","MoKα","","0.058","0.038","","","","0.081","","","","","","0.91","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00","" "2200570","15.616","0.002","6.702","0.002","7.208","0.006","90","","91.87","0.03","90","","754","0.7","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","catena-poly[[bis(1-(2-azidoethyl)tetrazole-N^4^)-copper(II)]-di-μ-chloro]","","- C6 H10 Cl2 Cu N14 -","- C6 H10 Cl2 Cu N14 -","- C12 H20 Cl4 Cu2 N28 -","2","0.5","YA6036","Ivashkevich, Dmitry O.; Lyakhov, Alexander S.; Gaponik, Pavel N.; Bogatikov, Andrey N.; Govorova, Alla A.","Layered structure of catena-poly[[bis[1-(2-azidoethyl)tetrazole-N^4^]copper(II)]-di-μ-chloro]","Acta Crystallographica Section E","2001","57","8","m335","m337","10.1107/S1600536801009965","","","0.71073","MoKα","","0.039","0.033","","","","0.097","","","","","","1.04","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00","" "2200571","10.096","0.001","26.316","0.002","16.927","0.002","90","","90.07","0.002","90","","4497.3","0.8","293","2","293","2","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","7-chloro-2-methyl-3-methylamino-2H-1,2,4-benzothiadiazine 1,1-dioxide","","- C9 H10 Cl N3 O2 S -","- C9 H10 Cl N3 O2 S -","- C144 H160 Cl16 N48 O32 S16 -","16","4","YA6037","Dupont, Léon; Somers, Fabian; Boverie, Stéphane; Pirotte, Bernard; Tinant, Bernard; de Tullio, Pascal","7-Chloro-2-methyl-3-methylamino-2H-1,2,4-benzothiadiazine 1,1-dioxide","Acta Crystallographica Section E","2001","57","7","o652","o654","10.1107/S1600536801010248","","","0.71069","MoKα","","0.044","0.036","","","","0.106","","","","","","1.07","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00","" "2200572","6.4875","0.0001","7.0151","0.0001","14.2991","0.0001","92.044","0.001","100.045","0.001","112.955","0.001","586.169","0.014","297","2","297","2","","","","","","","","4","P -1","-P 1","2","","Bis(p-phenylazoanilinium) oxalate","","- C26 H24 N6 O4 -","- C26 H24 N6 O4 -","- C26 H24 N6 O4 -","1","0.5","YA6039","Mahmoudkhani, Amir H.; Langer, Vratislav","Two-dimensional hydrogen-bonded arrays in p-phenylazoanilinium oxalate","Acta Crystallographica Section E","2001","57","9","o898","o900","10.1107/S1600536801013885","","","0.71073","MoKα","","0.052","0.041","","","","0.129","","","","","","1.04","","","","has coordinates","176774","2020-10-21","18:00:00","" "2200573","12.722","0.002","12.037","0.003","28.551","0.004","90","","98.05","0.01","90","","4329.1","1.4","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Trans-diodo-pentakis(tetrahydrofuran)ytterbium(III)-tetraiodo- trans-bis(tetrahydrofuran)ytterbium(III)","","- C28 H56 I6 O7 Yb2 -","- C28 H56 I6 O7 Yb2 -","- C112 H224 I24 O28 Yb8 -","4","0.5","YA6041","Niemeyer, Mark","trans-Diiodopentakis(tetrahydrofuran)ytterbium(III) tetraiodo-trans-bis(tetrahydrofuran)ytterbium(III)","Acta Crystallographica Section E","2001","57","8","m363","m364","10.1107/S1600536801011254","","","0.71073","MoKα","","0.07","0.047","","","","0.126","","","","","","1.14","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00","" "2200574","15.208","0.005","8.131","0.005","12.302","0.005","90","","111.554","0.005","90","","1414.8","1.1","163","2","163","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Pentafluorophenyl 3-chloro-3-phenylpropanoate","","- C15 H8 Cl F5 O2 -","- C15 H8 Cl F5 O2 -","- C60 H32 Cl4 F20 O8 -","4","1","YA6042","Chan, Bun; Tan, Eng W.; Blackman, Allan G.","Pentafluorophenyl 3-chloro-3-phenylpropanoate","Acta Crystallographica Section E","2001","57","8","o725","o726","10.1107/S1600536801011242","","","0.71069","MoKα","","0.043","0.033","","","","0.092","","","","","","1.06","","","","has coordinates,has Fobs","176428","2020-10-21","18:00:00","" "2200575","15.5033","0.0003","7.5309","0.0002","15.9609","0.0004","90","","110.774","0.001","90","","1742.34","0.07","291","1","291","1","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C21 H19 N3 -","- C21 H19 N3 -","- C84 H76 N12 -","4","1","YA6043","Kolev, Tsonko; Glavcheva, Zornitza; Yancheva, Denitsa; Schürmann, Markus; Kleb, Dirk-Christian; Preut, Hans; Bleckmann, Paul","2-{3-[2-(1H-Indol-3-yl)vinyl]-5,5-dimethylcyclohex-2-enylidene}malononitrile","Acta Crystallographica Section E","2001","57","8","o760","o761","10.1107/S1600536801011291","","","0.71073","MoKα","","0.162","0.052","","","","0.13","","","","","","0.92","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00","" "2200576","41.471","0.004","9.3431","0.0009","24.989","0.003","90","","102.077","0.002","90","","9468.1","1.7","150","2","150","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","2,2,6,6-Tetramethyl-3,5-di(2,6-diisopropylphenylimino)heptane","","- C35 H54 N2 -","- C35 H54 N2 -","- C420 H648 N24 -","12","1.5","YA6044","Bailey, Philip J.; Liddle, Stephen T.; Parsons, Simon","2,2,6,6-Tetramethyl-3,5-bis(2,6-diisopropylphenylimino)heptane at 150K","Acta Crystallographica Section E","2001","57","9","o863","o865","10.1107/S1600536801011783","","","0.71073","MoKα","","0.079","0.05","","","","0.124","","","","","","1.02","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00","" "2200577","13.078","0.006","17.899","0.007","22.79","0.09","90","","105.009","0.002","90","","5153","2","110","2","","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C54 H41 Cl7 N8 O5 Zn -","- C54 H41 Cl7 N8 O5 Zn -","- C216 H164 Cl28 N32 O20 Zn4 -","4","1","YA6045","Ricard, David; Richard, Philippe; Boitrel, Bernard","(Methanol){α-5,10,15:β-20-tetrakis[2-(chloroacetamido)phenyl]porphyrin}zinc(II) chloroform solvate","Acta Crystallographica Section E","2001","57","9","m404","m406","10.1107/S1600536801012788","","","0.71073","MoKα","","","0.069","","","","0.187","","","","","","1.04","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00","" "2200578","13.061","0.002","13.898","0.002","4.891","0.0017","93.33","0.02","93.21","0.02","101.764","0.014","865.6","0.4","295","2","297","2","","","","","","","","4","P -1","-P 1","2","(8-quinolinyl)urea 3,5-dinitrosalicylate (1:1)","","","- C17 H13 N5 O8 -","- C17 H13 N5 O8 -","- C34 H26 N10 O16 -","2","1","YA6046","Smith, Graham; Bott, Raymond C.; Wermuth, Urs D.","The 1:1 proton-transfer complex of 3,5-dinitrosalicylic acid with (8-quinolinyl)urea","Acta Crystallographica Section E","2001","57","9","o895","o897","10.1107/S1600536801013666","","","0.71069","MoKα","","0.061","0.045","","","","0.125","","","","","","1.04","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00","" "2200579","13.666","0.003","16.277","0.003","18.575","0.004","90","","98.99","0.03","90","","4081.1","1.5","188","2","188","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","trans-bis(2,4,6,2'',4'',6''-hexaisopropyl-1,1':3',1''-terphenyl-2'-thiolato-S)- tetrakis(tetrahydrofuran-O)ytterbium(II)","","- C88 H130 O4 S2 Yb -","- C88 H130 O4 S2 Yb -","- C176 H260 O8 S4 Yb2 -","2","0.5","YA6051","Niemeyer, Mark","A sterically crowded ytterbium(II) thiolate: trans-bis(2,4,6,2'',4'',6''-hexaisopropyl-1,1':3',1''-terphenyl-2'-thiolato-S)tetrakis(tetrahydrofuran-O)ytterbium(II)","Acta Crystallographica Section E","2001","57","9","m396","m398","10.1107/S160053680101306X","","","0.71073","MoKα","","0.094","0.052","","","","0.128","","","","","","1.08","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00","" "2200580","12.3307","0.0014","12.6105","0.001","16.3613","0.0012","89.734","0.006","80.137","0.007","72.592","0.009","2388.8","0.4","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","trans-(μ^2^-tert-butoxy)bis(μ^2^-2,4,6,2'',4'',6''-hexamethyl-1,1':3';1''- terphenyl-2',2'-diyl)(μ^2^-iodo)tetracopper(I)","","- C52 H59 Cu4 I O -","- C52 H59 Cu4 I O -","- C104 H118 Cu8 I2 O2 -","2","1","YA6052","Niemeyer, Mark","A tetranuclear copper compound containing three different types of anions: trans-(μ-tert-butoxy)bis(μ-2,4,6,2'',4'',6''-hexamethyl-1,1':3',1''-terphenyl-2',2'-diyl)(μ-iodo)tetracopper(I)","Acta Crystallographica Section E","2001","57","9","m416","m418","10.1107/S1600536801013551","","","0.71073","MoKα","","0.078","0.035","","","","0.059","","","","","","0.72","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00","" "2200581","6.0584","0.0006","6.0584","0.0006","11.3561","0.0007","90","","90","","120","","360.97","0.06","293","","293","2","","","","","","","","3","P 63 c m","P 6c -2","185","","","","- Mn O3 Yb -","- Mn O3 Yb -","- Mn6 O18 Yb6 -","6","0.5","","Aken, Bas B. van; Meetsma, Auke; Palstra, Thomas T. M.","Hexagonal YbMnO~3~ revisited","Acta Crystallographica, Section E","2001","57","","i87","i89","10.1107/S1600536801015094","","","","","","","","","","","","","","","","","","","","","has coordinates","277834","2022-09-14","16:39:44","" "2200582","6.038","0.001","6.038","0.001","11.361","0.001","90","","90","","120","","358.7","0.09","293","","295","","","","","","","","","3","P 63 c m","P 6c -2","185","","","","- Lu Mn O3 -","- Lu Mn O3 -","- Lu6 Mn6 O18 -","6","0.5","","Aken, Bas B. van; Meetsma, Auke; Palstra, Thomas T.M.","Hexagonal LuMnO~3~ revisited","Acta Crystallographica, Section E","2001","57","","i101","i103","10.1107/S1600536801015896","","","","","","","","","","","","","","","","","","","","","has coordinates","277834","2022-09-14","16:39:44","" "2200583","9.3532","0.0019","9.3532","0.0019","9.3532","0.0019","90","","90","","90","","818.2","0.3","293","2","293","2","","","","","","","","2","I m -3 m","-I 4 2 3","229","","","","- Ru3 Sn7 -","- Ru3 Sn7 -","- Ru12 Sn28 -","4","0.0416667","BR6028","Eriksson, Lars; Lanner, Johanna","Ru~3~Sn~7~, a re-investigation","Acta Crystallographica Section E","2001","57","10","i85","i86","10.1107/S1600536801014246","","","0.71073","MoKα","","0.0328","0.0302","","","","0.0451","","","","","","2.51","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00","" "2200584","10.659","0.002","14.55","0.001","16.992","0.003","90","","97.91","0.02","90","","2610.2","0.7","301","2","","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C24 H31 Br2 Cu N3 O2 Zn -","- C24 H31 Br2 Cu N3 O2 Zn -","- C96 H124 Br8 Cu4 N12 O8 Zn4 -","4","1","BR6030","Svoboda, Ingrid; Arıcı, Cengiz; Nazır, Hasan; Durmus, Zehra; Atakol, Orhan; Fuess, Hartmut","{[μ-N,N'-Bis(salicylidene)-2,2'-dimethyl-1,3-propanediamine](piperidine)copper(II)}dibromozinc(II)","Acta Crystallographica Section E","2001","57","12","m584","m586","10.1107/S1600536801019171","","","0.71073","MoKα","","","0.038","","","","0.095","","","","","","1.1","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00","" "2200585","22.461","0.004","11.295","0.002","11.394","0.002","90","","94.557","0.009","90","","2881.5","0.9","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- Co H20 K3 Mo6 O31 -","- Co K3 Mo6 O31 -","- Co4 K12 Mo24 O124 -","4","1","BR6031","Lee, Uk; Joo, Hea-Chung; Kwon, Jae-Sam; Cho, Mi-Ae","Tripotassium hexahydrogen hexamolybdocobaltate(III) heptahydrate, K~3~[H~6~CoMo~6~O~24~]·7H~2~O","Acta Crystallographica Section E","2001","57","12","i112","i114","10.1107/S1600536801019365","","","0.71069","MoKα","","0.0416","0.0313","","","","0.0816","","","","","","1.11","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00","" "2200586","6.083","0.001","6.226","0.001","10.867","0.002","77.14","0.03","82.2","0.03","72.91","0.03","382.43","0.11","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- Cu H10 O9 Se -","- Cu H10 O9 Se -","- Cu2 H20 O18 Se2 -","2","1","","Kolitsch, Uwe","Copper(II) selenate pentahydrate, CuSeO~4~.5H~2~O","Acta Crystallographica, Section E","2001","57","","i104","i105","10.1107/S1600536801018347","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00","" "2200587","6.8666","0.0004","9.6596","0.0003","10.5866","0.0005","90","","105.827","0.002","90","","675.57","0.06","296.2","","","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- Mo4 O15 Tb2 -","- Mo4 O15 Tb2 -","- Mo8 O30 Tb4 -","2","0.5","BR6034","Haruo Naruke; Toshihiro Yamase","Tb~2~Mo~4~O~15~","Acta Crystallographica Section E","2001","57","12","i106","i108","10.1107/S1600536801018517","","","0.7107","MoKα","","","0.0226","","","","0.0604","","","","","","0.9","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00","" "2200588","9.483","0.002","13.03","0.003","5.339","0.001","90","","90","","90","","659.7","0.2","293","2","293","2","","","","","","","Synthetic","4","P n m a","-P 2ac 2n","62","flinkite","","Flinkite","- As H4 Mn3 O8 -","- As H4 Mn3 O8 -","- As4 H16 Mn12 O32 -","4","0.5","","Kolitsch, Uwe","Redetermination of the mixed-valence manganese arsenate flinkite, Mn^II^~2~Mn^III^(OH)~4~(AsO~4~)","Acta Crystallographica, Section E","2001","57","","i115","i118","10.1107/S1600536801020050","","","","","","","","","","","","","","","","","","","","","has coordinates","282068","2023-03-26","10:12:33","" "2200589","7.646","0.002","6.179","0.001","9.507","0.002","90","","90","","90","","449.15","0.17","293","2","293","2","","","","","","","","5","P n m a","-P 2ac 2n","62","pyrobelonite","","","- H Mn O5 Pb V -","- H Mn O5 Pb V -","- H4 Mn4 O20 Pb4 V4 -","4","0.5","","Kolitsch, Uwe","Refinement of pyrobelonite, PbMn^II^VO~4~(OH), a member of the descloizite group","Acta Crystallographica, Section E","2001","57","","i119","i121","10.1107/S1600536801020037","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00","" "2200590","10.0298","0.0015","6.3718","0.0015","11.2238","0.0014","90","","100.685","0.011","90","","704.9","0.2","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","2,6-diisopropylbenzene phosphoric acid","2,6-Diisopropylbenzene dihydrogen phosphate","","- C12 H19 O4 P -","- C12 H19 O4 P -","- C24 H38 O8 P2 -","2","1","BT6070","Onoda, Akira; Okamura, Taka-aki; Yamamoto, Hitoshi; Ueyama, Norikazu","One-dimensional P‒OH···O=P hydrogen bonds restricted by the bulky molecule 2,6-diisopropylphenyl dihydrogen phosphate","Acta Crystallographica Section E","2001","57","11","o1022","o1024","10.1107/S160053680101635X","","","0.71069","MoKα","","0.0667","0.0347","","","","0.1057","","","","","","1.023","","","","has coordinates","201973","2020-10-21","18:00:00","" "2200591","7.208","0.001","8.0106","0.0012","12.256","0.002","79.099","0.007","74.695","0.004","69.379","0.006","635.2","0.17","293","2","293","2","","","","","","","","4","P -1","-P 1","2","2-cyano-2'-nitrodiazoaminobenzene","2-cyano-2'-nitrodiazoaminobenzene","","- C13 H9 N5 O2 -","- C13 H9 N5 O2 -","- C26 H18 N10 O4 -","2","1","BT6074","O'Brien, John G.; Grousnick, Katherine E.; Baughman, Russell G.","2-Cyano-2'-nitrodiazoaminobenzene","Acta Crystallographica Section E","2001","57","10","o919","o921","10.1107/S160053680101443X","","","0.71073","MoKα","","0.11","0.0581","","0.1963","","0.1594","","","1.055","","","1.182","","","","has coordinates","201973","2020-10-21","18:00:00","" "2200592","11.8175","0.0006","13.7466","0.0007","7.1093","0.0004","90","","120.769","0.001","90","","992.34","0.09","298","2","298","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C H3 K2 O4.5 -","- C H3 K2 O4.5 -","- C8 H24 K16 O36 -","8","1","","Janet M. S. Skakle; Mhairi Wilson; Jörg Feldmann","Dipotassium carbonate sesquihydrate: rerefinement against new intensity data","Acta Crystallographica, Section E","2001","57","","i94","i97","10.1107/S1600536801016312","","","","","","","","","","","","","","","","","","","","","has coordinates","196234","2020-10-21","18:00:00","" "2200593","5.5955","0.0011","10.684","0.002","12.224","0.002","90","","98.687","0.004","90","","722.4","0.2","294","2","294","2","","","","","","","","4","P 1 21 1","P 2yb","4","","(R)-N-(1-Phenylethyl)quinoline-2-carboxamide","","- C18 H16 N2 O -","- C18 H16 N2 O -","- C36 H32 N4 O2 -","2","1","BT6079","Yang, Qi-Yun; Zhou, Zhong-Yuan; Qi, Jian-Ying","(R)-N-(1-Phenylethyl)quinoline-2-carboxamide","Acta Crystallographica Section E","2001","57","10","o971","o972","10.1107/S1600536801014325","","","0.71073","MoKα","","0.0547","0.038","","","","0.0898","","","","","","0.955","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00","" "2200594","5.4186","0.0011","22.951","0.005","7.4518","0.0015","90","0.017","99.73","0.016","90","0.018","913.4","0.3","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C7 H11 N O6 -","- C7 H11 N O6 -","- C28 H44 N4 O24 -","4","1","BT6081","Rajagopal, K.; Krishnakumar, R. V.; Natarajan, S.","β-Alaninium maleate","Acta Crystallographica Section E","2001","57","10","o922","o924","10.1107/S1600536801014672","","","0.71073","MoKα","","0.0555","0.0384","","","","0.1895","","","","","","1.164","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00","" "2200595","9.9482","0.001","11.2184","0.001","12.8536","0.001","97.702","0.007","105.515","0.007","94.503","0.007","1359.9","0.2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C25 H18 Cl2 N5 O6 P3 -","- C25 H18 Cl2 N5 O6 P3 -","- C50 H36 Cl4 N10 O12 P6 -","2","1","BT6084","Hökelek, Tuncer; Dal, Hakan; Kılıç, Zeynel","cis-ansa-2,4-Dichloro-2,4-[2,2'-methylenebis(4-nitrophenoxy)]-6,6-diphenylcyclo-2λ^5^,4λ^5^,6λ^5^-triphosphazatriene","Acta Crystallographica Section E","2001","57","11","o1063","o1066","10.1107/S1600536801017056","","","0.71073","MoKα","","0.0919","0.0666","","","","0.2579","","","","","","1.215","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00","" "2200596","18.3417","0.0018","18.3164","0.0018","23.547","0.002","90","","90","","90","","7910.7","1.3","110","2","110","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","[Bis(diphenylphosphino)methane-2κ^2^P,P']-μ-carbonyl-1:2κC-carbonyl-1κC- [1(η^5^)-cyclopentadienyl](μ-phenylvinylidene-1:2κ^2^C)manganeseplatinum- (Mn—Pt) diethyl ether solvate","","- C44 H43 Mn O3 P2 Pt -","- C44 H43 Mn O3 P2 Pt -","- C352 H344 Mn8 O24 P16 Pt8 -","8","1","BT6085","Dolgushin, Fedor M.; Deykhina, Nina A.; Pogrebnyakov, Dmitry A.; Antonova, Alla B.","The binuclear μ-phenylvinylidene complex (η^5^-C~5~H~5~)(CO)(μ-CO)MnPt(μ-C=CHPh)(η^2^-Ph~2~PCH~2~PPh~2~)·Et~2~O","Acta Crystallographica Section E","2001","57","11","m541","m542","10.1107/S1600536801017500","","","0.71073","MoKα","","0.092","0.054","","","","0.129","","","","","","0.97","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00","" "2200597","10.7602","0.0002","9.1559","0.0002","18.2953","0.0003","90","","99.2514","0.0012","90","","1779","0.06","291","1","291","1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C9 H24 Cl2 O S Sn2 -","- C9 H24 Cl2 O S Sn2 -","- C36 H96 Cl8 O4 S4 Sn8 -","4","1","BT6086","Mandolesi, Sandra; Studentkowski, Marc; Preut, Hans; Mitchell, Terence","A 1:1 adduct between 2,2-bis(chlorodimethylstannyl)propane and dimethyl sulfoxide","Acta Crystallographica Section E","2001","57","11","m543","m544","10.1107/S1600536801017603","","","0.71069","MoKα","","0.0687","0.0258","","","","0.0498","","","","","","0.856","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00","" "2200598","9.3516","0.0009","9.7925","0.001","5.7651","0.0003","90","","90","","90","","527.94","0.08","120","2","120","2","","","","","","","","3","P n a 21","P 2c -2n","33","3-picoline","3-methylpyridine","","- C6 H7 N -","- C6 H7 N -","- C24 H28 N4 -","4","1","BT6087","Bond, Andrew D.; Davies, John E.","3-Picoline","Acta Crystallographica Section E","2001","57","11","o1087","o1088","10.1107/S1600536801017536","","","0.7107","MoKα","","0.0415","0.0398","","","","0.1059","","","","","","1.082","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00","" "2200599","6.6593","0.0005","7.0878","0.0006","11.7358","0.0007","90","","90","","90","","553.93","0.07","120","2","120","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","2-picoline","2-methylpyridine","","- C6 H7 N -","- C6 H7 N -","- C24 H28 N4 -","4","1","BT6088","Bond, Andrew D.; Davies, John E.","2-Picoline","Acta Crystallographica Section E","2001","57","11","o1089","o1090","10.1107/S1600536801017548","","","0.7107","MoKα","","0.0679","0.0621","","","","0.1809","","","","","","1.095","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00","" "2200600","43.717","0.005","8.0751","0.001","7.2651","0.0012","90","","96.86","0.006","90","","2546.4","0.6","291","1","291","1","","","","","","","","2","C 1 2/c 1","-C 2yc","15","","","","- C18 H16 -","- C18 H16 -","- C144 H128 -","8","1","BT6089","Jovanovic, Jovan; Schürmann, Markus; Preut, Hans; Spiteller, Michael","Second modification of (E)-2,3,2',3'-tetrahydro-[1,1']biindenylidene","Acta Crystallographica Section E","2001","57","11","o1100","o1101","10.1107/S1600536801017767","","","0.71073","MoKα","","0.2648","0.05","","","","0.0968","","","","","","0.832","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00","" "2200601","5.572","0.001","15.53","0.001","27.221","0.002","90","","90","","90","","2355.5","0.5","123","2","","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C27 H26 O9 -","- C27 H26 O9 -","- C108 H104 O36 -","4","1","BT6091","Carr, Jenny M.; Draffin, Scott P.; Duggan, Peter J.; Fallon, Gary D.; Humphrey, David G.","D-Mannitol-1,2,6-tribenzoate","Acta Crystallographica Section E","2001","57","11","o1118","o1119","10.1107/S1600536801018074","","","0.71073","MoKα","","0.0478","0.0357","","","","0.0873","","","","","","1.079","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00","" "2200602","7.5572","0.0015","9.0637","0.0018","10.997","0.002","74.17","0.03","84.5","0.03","89.74","0.03","721.2","0.3","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","bis(acetylacetonato)diaquanickel(II) monohydrate","","- C10 H20 Ni O7 -","- C10 H20 Ni O7 -","- C20 H40 Ni2 O14 -","2","1","CF6067","Zhou, Xing-Fu; Han, Ai-Jie; Chu, Dao-Bao; Huang, Zi-Xiang","Electrochemical synthesis and a redetermination of Ni(acac)~2~(H~2~O)~2~·H~2~O","Acta Crystallographica Section E","2001","57","11","m506","m508","10.1107/S1600536801016208","","","0.71073","MoKα","","0.0439","0.0402","","","","0.1111","","","","","","1.037","","","","has coordinates","206183","2020-10-21","18:00:00","" "2200603","5.9498","0.0002","9.7014","0.0004","24.7207","0.0009","90","","90","","90","","1426.91","0.09","298","","","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C15 H26 O2 -","- C15 H26 O2 -","- C60 H104 O8 -","4","1","CF6072","El Jamili, H.; Auhmani, A.; Dakir, M.; Benharref, A.; Kossareva, E.; Pierrot, M.","(1R,6S,7R)-Himachal-2-ène-6,7-diol","Acta Crystallographica Section E","2001","57","10","o904","o905","10.1107/S1600536801014374","","","0.71073","MoKα","","0.0488","0.0456","","","","0.1166","","","","","","1.136","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00","" "2200604","21.266","0.009","21.266","0.009","7.873","0.005","90","","90","","120","","3083","3","298","","","","","","","","","","","3","P 32","P 32","145","","","","- C15 H26 O3 -","- C15 H26 O3 -","- C135 H234 O27 -","9","3","CF6073","El Jamili, H.; Auhmani, A.; Dakir, M.; Benharref, A.; Kossareva, E.; Pierrot, M.","(1S,2S,3R,6S,7R)-3,6-Epoxyhimachalane-2,7-diol","Acta Crystallographica Section E","2001","57","10","o925","o927","10.1107/S160053680101457X","","","0.71073","MoKα","","0.0389","0.0373","","","","0.0899","","","","","","1.094","","","","has coordinates","201973","2020-10-21","18:00:00","" "2200605","5.995","0.002","10.242","0.004","14.292","0.005","93.37","0.006","90.595","0.006","103.557","0.006","851.4","0.5","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","r-1,c-2,t-3,t-4-1,3-bis(4-methoxyphenyl)-2,4-bis[2-(5-phenyl-1,3,4- oxadiazolyl)]cyclobutane","","- C38 H36 N4 O6 -","- C38 H36 N4 O6 -","- C38 H36 N4 O6 -","1","0.5","CF6094","Yan, Zheng; Jun-Peng, Zhuang; Wen-Qin, Zhang; Xue-Bing, Leng; Lin-Hong, Weng","r-1,c-2,t-3,t-4-1,3-Bis(4-methoxyphenyl)-2,4-bis(5-phenyl-1,3,4-oxadiazol-2-yl)cyclobutane 1,4-dioxane solvate","Acta Crystallographica Section E","2001","57","11","o1029","o1031","10.1107/S160053680101683X","","","0.71073","MoKα","","0.1523","0.0678","","","","0.1674","","","","","","0.968","","","","has coordinates","176774","2020-10-21","18:00:00","" "2200606","8.733","0.0002","5.871","0.0003","15.307","0.0006","90","","90.535","0.001","90","","784.78","0.05","123","2","123","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","N,N'-bis(salicylidene)-1,4,butanediamine","","- C18 H20 N2 O2 -","- C18 H20 N2 O2 -","- C36 H40 N4 O4 -","2","0.5","CF6103","Kennedy, Alan R.; Reglinski, John","N,N'-Bis(salicylidene)-1-4-butanediamine","Acta Crystallographica Section E","2001","57","11","o1027","o1028","10.1107/S1600536801016269","","","0.71073","MoKα","","0.1181","0.0626","","0.1351","0.1058","","","","1.194","1.231","1.231","","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00","" "2200607","7.287","0.007","10.725","0.009","7.452","0.008","90","","90.37","0.09","90","","582.4","1","5","","","","","","","","","","","3","P 1 21/a 1","-P 2yab","14","2,6DMP","2,6 dimethylpyrazine","","- C6 H8 N2 -","- C6 H8 N2 -","- C24 H32 N8 -","4","1","CF6104","Kaiser-Morris, Erika; Nicolaï, Beatrice; Cousson, Alain; Paulus, Werner; Fillaux, Francois","2,6-Dimethylpyrazine at 5K: a neutron-diffraction study","Acta Crystallographica Section E","2001","57","11","o1116","o1117","10.1107/S1600536801017846","","neutron","0.8308","Neutron","","","0.0323","","","","0.016","","","","","","1.035","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00","" "2200608","7.288","0.005","10.73","0.01","7.444","0.007","90","","90.1","0.08","90","","582.1","0.9","20","","","","","","","","","","","3","P 1 21/a 1","-P 2yab","14","2,6DMP","2,6-dimethylpyrazine","","- C6 H8 N2 -","- C6 H8 N2 -","- C24 H32 N8 -","4","1","CF6105","Kaiser-Morris, Erika; Nicolaï, Beatrice; Cousson, Alain; Paulus, Werner; Fillaux, Francois","2,6-Dimethylpyrazine at 20K: a neutron-diffraction study","Acta Crystallographica Section E","2001","57","11","o1113","o1115","10.1107/S1600536801017834","","neutron","0.8308","Neutron","","","0.0311","","","","0.0186","","","","","","1.0328","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00","" "2200609","7.328","0.002","16.366","0.004","11.131","0.003","90","","99.33","0.02","90","","1317.3","0.6","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","4-[(2-nitrophenyl)hydrazono]-4H-naphthalen-1-one","","- C16 H11 N3 O3 -","- C16 H11 N3 O3 -","- C64 H44 N12 O12 -","4","1","CF6106","Yatsenko, A. V.; Paseshnichenko, K. A.","π‒π Stacks and C‒H···O bonded sheets in 4-[(2-nitrophenyl)hydrazono]-4H-naphthalen-1-one","Acta Crystallographica Section E","2001","57","11","o1025","o1026","10.1107/S160053680101621X","","","0.71073","MoKα","","0.0748","0.045","","","","0.1077","","","","","","1.309","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00","" "2200610","10.0853","0.0002","10.0892","0.0002","30.1129","0.0007","88.403","0.002","88.589","0.009","90.021","0.001","3061.95","0.11","180","2","180","2","","","","","","","","4","P 1","P 1","1","","Pentacyclohexyloxyphosphorane","","- C30 H55 O5 P -","- C30 H55 O5 P -","- C120 H220 O20 P4 -","4","4","CF6107","Davies, John E.; Kirby, Anthony J.; Roussev, Christo D.","Pentacyclohexyloxyphosphorane","Acta Crystallographica Section E","2001","57","11","o994","o995","10.1107/S1600536801015951","","","0.71073","MoKα","","0.0499","0.0435","","","","0.1078","","","","","","1.063","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00","" "2200611","11.6008","0.0008","13.459","0.003","12.0597","0.0012","90","","118.611","0.009","90","","1653","0.4","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","piperidine","2,6-Diphenyl-3-isopropylpiperidin-4-one","","- C20 H23 N O -","- C20 H23 N O -","- C80 H92 N4 O4 -","4","1","CF6108","M. Nilofar Nissa; D. Velmurugan; S. Narasimhan; V. Rajagopal; Moon-Jib Kim","2,6-Diphenyl-3-isopropylpiperidin-4-one","Acta Crystallographica Section E","2001","57","11","o996","o998","10.1107/S1600536801016026","","","0.71073","MoKα","","0.1832","0.0628","","","","0.1949","","","","","","0.96","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00","" "2200612","8.1138","0.0002","9.5567","0.0002","11.9553","0.0003","90","","90","","90","","927.03","0.04","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(1R,2R)-1,2-diammoniocyclohexane dichloride","","- C6 H16 Cl2 N2 -","- C6 H16 Cl2 N2 -","- C24 H64 Cl8 N8 -","4","1","CF6109","Farrugia, Louis J.; Cross, Ronald J.; Barley, Helen R. L.","(1R,2R)-1,2-Diammoniocyclohexane dichloride","Acta Crystallographica Section E","2001","57","11","o992","o993","10.1107/S1600536801015872","","","0.71073","MoKα","","0.0181","0.0174","","","","0.0465","","","","","","1.063","","","","has coordinates","201973","2020-10-21","18:00:00","" "2200613","16.435","0.005","7.562","0.005","16.527","0.004","90","","90.28","0.02","90","","2054","1.6","150","2","150","2","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","cis-(2-amino-1,1-dimethylethylamine)-dichloro-palladium(II) ethanol solvate","","- C5 H15 Cl2 N2 O0.5 Pd -","- C5 H15 Cl2 N2 O0.5 Pd -","- C40 H120 Cl16 N16 O4 Pd8 -","8","1","CF6110","Farrugia, Louis J.; Cross, Ronald J.; Barley, Helen R. L.","cis-(2-Amino-1,1-dimethylethylamine)dichloropalladium(II) ethanol hemisolvate","Acta Crystallographica Section E","2001","57","11","m494","m495","10.1107/S1600536801015884","","","0.71073","MoKα","","0.0352","0.0258","","","","0.0583","","","","","","1.055","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00","" "2200614","17.6676","0.0007","17.6676","0.0007","17.6676","0.0007","90","","90","","90","","5514.8","0.4","293","2","293","2","","","","","","","","6","P b -3","-p 2bc 2ac 3","","","Tetraethylammonium trichloro(triphenylphosphine)nickelate(II)","","- C26 H35 Cl3 N Ni P -","- C25.9999 H34.9998 Cl3 N Ni P -","- C207.999 H279.998 Cl24 N8 Ni8 P8 -","8","","CF6111","Smith, Matt C.; Davies, Sian C.; David L. Hughes; David J. Evans","Tetraethylammonium trichloro(triphenylphosphine)nickelate(II)","Acta Crystallographica Section E","2001","57","11","m509","m510","10.1107/S1600536801016348","","","0.71069","Mo-Kα","","0.155","0.0546","","0.1767","","0.1767","","","0.958","","","1.203","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00","" "2200615","9.401","0.001","15.77","0.001","16.845","0.001","90","","95.581","0.001","90","","2485.5","0.3","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Tetrabutylammonium(1+) tetrachloroaquaoxomolybdate(1-)","","- C16 H38 Cl4 Mo N O2 -","- C16 H38 Cl4 Mo N O2 -","- C64 H152 Cl16 Mo4 N4 O8 -","4","1","CF6112","Wu, Chuan-De; Zhang, Quan-Zheng; Lu, Can-Zhong; Zhuang, Hong-Hui; Huang, Jin-Shun","Tetrabutylammonium aquatetrachlorooxomolybdate(V)","Acta Crystallographica Section E","2001","57","11","m511","m513","10.1107/S1600536801016919","","","0.71073","MoKα","","","0.0496","","","","0.1239","","","","","","1.147","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00","" "2200616","18.1968","0.0013","7.2601","0.0005","6.7498","0.0003","90","","90","","90","","891.72","0.1","150","2","150","2","","","","","","","","2","P n m a","-P 2ac 2n","62","γ-Terpinene","1-isopropyl-4-methyl-1,4-cyclohexadiene","","- C10 H16 -","- C10 H16 -","- C40 H64 -","4","0.5","CF6113","Bond, Andrew D.; Davies, John E.","γ-Terpinene","Acta Crystallographica Section E","2001","57","11","o1032","o1033","10.1107/S1600536801016920","","","0.7107","MoKα","","0.0692","0.0489","","","","0.1393","","","","","","1.062","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00","" "2200617","6.052","0.0007","10.2748","0.0007","7.1621","0.0009","90","","91.335","0.004","90","","445.24","0.08","150","2","150","2","","","","","","","","3","P 1 21 1","P 2yb","4","(1R)-(-)-Fenchone","(-)-1,3,3-trimethyl-2-norbornanone","","- C10 H16 O -","- C10 H16 O -","- C20 H32 O2 -","2","1","CF6114","Bond, Andrew D.; Davies, John E.","(1R)-({-})-Fenchone","Acta Crystallographica Section E","2001","57","11","o1034","o1035","10.1107/S1600536801016932","","","0.7107","MoKα","","0.0605","0.0558","","","","0.1565","","","","","","1.097","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00","" "2200618","4.126","0.001","17.779","0.003","10.268","0.003","90","","90","","90","","753.2","0.3","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","2-thiocoumarin","2H-chromene-2-thione","","- C9 H6 O S -","- C9 H6 O S -","- C36 H24 O4 S4 -","4","1","CF6115","Munshi, Parthapratim; Guru Row, T. N.","2H-Chromene-2-thione","Acta Crystallographica Section E","2001","57","12","o1175","o1176","10.1107/S1600536801019067","","","0.71073","MoKα","","0.1638","0.0541","","","","0.1855","","","","","","0.84","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00","" "2200619","9.0763","0.0002","12.8096","0.0003","13.0012","0.0003","83.522","0.002","75.195","0.002","69.2873","0.0014","1366.51","0.06","223","2","223","2","","","","","","","","6","P -1","-P 1","2","","Chloro(dimethylamino-1-ethylindenyl)(triphenylphosphine)nickel(II)","","- C31 H31 Cl N Ni P -","- C31 H31 Cl N Ni P -","- C62 H62 Cl2 N2 Ni2 P2 -","2","1","CF6116","Groux, Laurent F.; Zargarian, Davit","Chloro[1-(dimethylaminoethyl)indenyl](triphenylphosphine)nickel(II)","Acta Crystallographica Section E","2001","57","11","m547","m548","10.1107/S1600536801017925","","","1.54178","CuKα","","0.0609","0.0597","","0.1699","","0.168","","","1.057","","","1.069","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00","" "2200620","11.5792","0.0006","13.0972","0.0008","9.0779","0.0005","96.78","0.005","93.245","0.004","82.833","0.004","1355.18","0.13","294","","294","","","","","","","","","5","P -1","-P 1","2","","","","- C32 H30 B N O4 -","- C32 H28.3 B N O4 -","- C64 H56.6 B2 N2 O8 -","2","1","CF6117","Wolfgang Kliegel; Jörg Metge; Brian O. Patrick; Steven J. Rettig; James Trotter","An OBONC five-membered heterocycle","Acta Crystallographica Section E","2001","57","11","o1120","o1122","10.1107/S1600536801018037","","","1.5418","CuKα","","0.069","0.04","","0.056","","0.038","","","","","","0.966","","","","has coordinates","176435","2020-10-21","18:00:00","" "2200621","6.709","0.005","9.958","0.005","17.743","0.005","95.757","0.005","94.587","0.005","105.6","0.005","1128.9","1.1","293","2","293","2","","","","","","","","4","P -1","-P 1","2","spiropyrrolidine","Spiro[2-carbomethoxy-5-(4-methoxyphenyl)-3-phenylpyrrolidine-4,3'-chroman- 4'-one]","","- C27 H25 N O5 -","- C27 H25 N O5 -","- C54 H50 N2 O10 -","2","1","CF6118","M. Nilofar Nissa; V. Rajakannan; Moon-Jib Kim; D. Velmurugan","Spiro[2-carbomethoxy-5-(4-methoxyphenyl)-3-phenylpyrrolidine-4,3'-chroman-4'-one]","Acta Crystallographica Section E","2001","57","12","o1230","o1232","10.1107/S1600536801019961","","","0.71073","MoKα","","0.0695","0.0433","","","","0.128","","","","","","1.013","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00","" "2200622","9.245","0.002","8.4082","0.0017","26.633","0.0015","90","","94.802","0.011","90","","2063","0.6","173","1","173","1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","(2S*, 3R*, 4S*, 5R*)-3-(S*-1-benzyloxyethyl)-4-methyl-4-nitro-5- phenylproline methyl ester","","- C22 H26 N2 O5 -","- C22 H26 N2 O5 -","- C88 H104 N8 O20 -","4","1","CF6119","Linden, Anthony; Ayerbe, Mirari; Arrieta, Ana; Zubia, Aizpea; Vivanco, Silvia; Erquicia, Edurne; Aldaba, Eneko; Cossío, Fernando P.; Lecea, Begoña","(2S*,3R*,4S*,5R*)-3-(S*-1-Benzyloxyethyl)-4-methyl-4-nitro-5-phenylproline methyl ester","Acta Crystallographica Section E","2001","57","11","o1123","o1125","10.1107/S1600536801018104","","","0.71073","MoKα","","0.1019","0.0494","","","","0.1422","","","","","","1.059","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00","" "2200623","7.5489","0.0002","4.8968","0.0002","17.0874","0.0006","90","","93.8964","0.0019","90","","630.18","0.04","291","1","291","1","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","","","","- C18 H16 -","- C18 H16 -","- C36 H32 -","2","0.5","CF6120","Jovanovic, Jovan; Schürmann, Markus; Preut, Hans; Spiteller, Michael","1,3,1',3'-Tetrahydro-[2,2']biindenylidene","Acta Crystallographica Section E","2001","57","12","o1139","o1140","10.1107/S1600536801018311","","","0.71073","MoKα","","0.0687","0.038","","","","0.1009","","","","","","0.904","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00","" "2200624","8.7773","0.0005","20.3849","0.0011","8.9935","0.0004","90","","107.427","0.003","90","","1535.3","0.14","180","2","180","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","2,4,6-Collidine","2,4,6-Trimethylpyridine","","- C8 H11 N -","- C8 H11 N -","- C64 H88 N8 -","8","2","CF6121","Bond, Andrew D.; Davies, John E.","2,4,6-Collidine","Acta Crystallographica Section E","2001","57","12","o1141","o1142","10.1107/S1600536801018396","","","0.71073","MoKα","","0.0927","0.0707","","","","0.1931","","","","","","1.129","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00","" "2200625","27.083","0.002","10.0911","0.001","20.304","0.002","90","","110.212","0.003","90","","5207.3","0.8","150","2","150","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C26 H20 S8 -","- C26 H20 S8 -","- C208 H160 S64 -","8","1","CF6122","Gelbrich, Thomas; Roberts-Bleming, Susan J.; Kalaji, Maher; Murphy, Patrick J.; Hursthouse, Michael B.","4,5,4',5'-Tetrakis(2-methyl-thiophen-3-yl)-[2,2']bi[[1,3]dithiolylidene]","Acta Crystallographica Section E","2001","57","12","o1143","o1144","10.1107/S1600536801018529","","","0.71073","MoKα","","0.1458","0.0716","","","","0.1378","","","","","","1.089","","","","has coordinates","201973","2020-10-21","18:00:00","" "2200626","10.409","0.001","11.922","0.002","10.291","0.001","109.78","0.01","94.96","0.01","110.61","0.01","1093.7","0.3","294","","294","","","","","","","","","5","P -1","-P 1","2","","","","- C7 H12 Cl3 N O2 -","- C7 H12 Cl3 N O2 -","- C28 H48 Cl12 N4 O8 -","4","2","CF6123","Wolfgang Kliegel; Ulf Riebe; Brian O. Patrick; Steven J. Rettig; James Trotter","Chloral adduct of N-hydroxypiperidine","Acta Crystallographica Section E","2001","57","12","o1173","o1174","10.1107/S1600536801018864","","","1.54178","CuKα","","","0.043","","","","0.046","","","","","","1.95","","","","has coordinates","176774","2020-10-21","18:00:00","" "2200627","17.669","0.008","7.921","0.002","15.598","0.004","90","","106.1","0.01","90","","2097.4","1.2","173","2","173","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","bis(N,N,N'-Trimethylethylenediamine)-lithium indenide","","- C19 H35 Li N4 -","- C19 H35 Li N4 -","- C76 H140 Li4 N16 -","4","0.5","","Boche, Gernot; Ledig, Burkhard; Marsch, Michael; Harms, Klaus","[Indenyllithium.2(N,N,N'-trimethylethylenediamine)]~\ιnfty~: N—H hydrogen bridges to the indenyl anion","Acta Crystallographica Section E","2001","57","12","m570","m572","10.1107/S1600536801018876","","","1.54178","CuKα","","0.0488","0.0401","","","","0.1138","","","","","","1.073","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00","" "2200628","6.8206","0.0003","9.5663","0.0004","11.933","0.0004","97.092","0.001","97.502","0.001","100.954","0.002","749.03","0.05","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","8a-Ethyl 2-methyl (4aR,8aS)-3-oxoperhydro-2,8a-naphthalenedicarboxylate","","- C15 H22 O5 -","- C15 H22 O5 -","- C30 H44 O10 -","2","1","CF6125","H. Surya Prakash Rao; S. Rajamathe; S. Shanmuga Sundara Raj; Hoong-Kun Fun","8a-Ethyl 2-methyl (4aR,8aS)-3-oxoperhydro-2,8a-naphthalenedicarboxylate","Acta Crystallographica Section E","2001","57","12","o1235","o1236","10.1107/S1600536801020220","","","0.71073","MoKα","","0.0733","0.0562","","","","0.1119","","","","","","0.89","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00","" "2200629","13.1141","0.0006","3.8137","0.0001","13.1699","0.0007","90","","90.033","0.002","90","","658.67","0.05","120","2","396","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","2,5-Dichloroaniline","","- C6 H5 Cl2 N -","- C6 H5 Cl2 N -","- C24 H20 Cl8 N4 -","4","1","CF6126","Philip J Cox","2,5-Dichloroaniline, a monoclinic structure with a pseudo-tetragonal unit cell","Acta Crystallographica Section E","2001","57","12","o1203","o1205","10.1107/S1600536801019511","","","0.71073","MoKα","","0.0284","0.0264","","","","0.0738","","","","","","1.027","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00","" "2200630","15.6898","0.0006","10.5854","0.0004","7.5745","0.0002","90","","90","","90","","1257.99","0.08","120","2","120","2","","","","","","","","2","P b c n","-P 2n 2ab","60","Styrene","Styrene","","- C8 H8 -","- C8 H8 -","- C64 H64 -","8","1","CF6127","Bond, Andrew D.; Davies, John E.","Styrene at 120K","Acta Crystallographica Section E","2001","57","12","o1191","o1193","10.1107/S1600536801019195","","","0.7107","MoKα","","0.0505","0.0376","","","","0.1004","","","","","","1.06","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00","" "2200631","5.1787","0.0005","9.9128","0.0018","18.918","0.005","90","","90","","90","","971.2","0.3","294","1","294","1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","2-(1-oxo-1,3-dihydro-2H-isoindol-2-yl)propanoic acid","","- C11 H11 N O3 -","- C11 H11 N O3 -","- C44 H44 N4 O12 -","4","1","CF6128","Gallagher, John F.; Murphy, Carol","Intermolecular hydrogen bonding in (2S)-2-(1-oxo-1H-2,3-dihydroisoindol-2-yl)propanoic acid","Acta Crystallographica Section E","2001","57","12","o1227","o1229","10.1107/S1600536801019754","","","0.71073","MolybdenumKα","","0.053","0.039","","","","0.087","","","","","","1.016","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00","" "2200632","15.4398","0.0017","12.8818","0.0014","8.1537","0.0009","90","","92.89","0.002","90","","1619.6","0.3","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Bis(acetato-O)-diaqua-(2,2'-bipyridine,N,N')cobalt(II)","","- C14 H18 Co N2 O6 -","- C14 H18 Co N2 O6 -","- C56 H72 Co4 N8 O24 -","4","0.5","CF6129","Carballo, Rosa; Covelo, Berta; García-Martínez, Emilia; Vázquez-López, Ezequiel M.","Bis(acetato-O)diaqua(2,2'-bipyridyl-N,N')cobalt(II) (OC-13): a two-dimensional material","Acta Crystallographica Section E","2001","57","12","m597","m599","10.1107/S160053680101995X","","","0.71073","MoKα","","0.0402","0.0322","","","","0.0836","","","","","","1.032","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00","" "2200633","4.8118","0.0003","15.4697","0.0014","9.7712","0.0008","90","","101.798","0.005","90","","711.97","0.1","180","2","180","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","p-Xylene-α,α'-diol","1,4-Benzenedimethanol","","- C8 H10 O2 -","- C8 H10 O2 -","- C32 H40 O8 -","4","1","CF6130","Shan, Ning; Jones, William","1,4-Benzenedimethanol","Acta Crystallographica Section E","2001","57","12","o1233","o1234","10.1107/S1600536801019973","","","0.71073","MoKα","","0.0552","0.0401","","","","0.101","","","","","","1.047","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00","" "2200634","17.8146","0.0002","13.165","0.0002","20.2171","0.0004","90","","90.84","0.01","90","","4740.99","0.13","203","2","203","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","5,15-bis(4-pyridyl)-2,8,12,18-tetra-n-butyl-3,7,13,17- tetramethylporphyrinato zinc(II) chloroform solvate","","- C51 H59 Cl3 N6 Zn -","- C51 H59 Cl3 N6 Zn -","- C204 H236 Cl12 N24 Zn4 -","4","1","CI6042","Wild, Kirstie Y.; Therrien, Bruno; Plieger, Paul G.; Officer, David L.; Burrell, Anthony K.","[5,15-Bis(4-pyridyl)-2,8,12,18-tetra-n-butyl-3,7,13,17-tetramethylporphyrinato]zinc(II) chloroform solvate","Acta Crystallographica Section E","2001","57","10","m478","m479","10.1107/S1600536801015264","","","0.71073","MoKα","","0.124","0.065","","","","0.169","","","","","","1.08","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00","" "2200635","14.191","0.002","10.655","0.001","15.917","0.002","90","","90","","90","","2406.7","0.5","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","Dichlorobis(sarcosinato)zinc(II)","Dichlorobis(sarcosinato)zinc(II)","","- C6 H14 Cl2 N2 O4 Zn -","- C6 H14 Cl2 N2 O4 Zn -","- C48 H112 Cl16 N16 O32 Zn8 -","8","1","CI6057","Subha Nandhini, M.; Krishnakumar, R. V.; Natarajan, S.","Dichlorobis(sarcosinato)zinc(II)","Acta Crystallographica Section E","2001","57","10","m435","m437","10.1107/S1600536801014775","","","1.5418","CuKα","","0.031","0.028","","","","0.075","","","","","","1.18","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00","" "2200636","7.309","0.001","8.541","0.001","13.412","0.001","90","","96.89","0.01","90","","831.21","0.16","120","2","120","2","","","","","","","","4","P 1 21 1","P 2yb","4","","octafluoronaphthalene : 1,8-diaminonaphthalene (1/1)","","- C20 H10 F8 N2 -","- C20 H10 F8 N2 -","- C40 H20 F16 N4 -","2","1","CI6058","Batsanov, Andrei S.; Collings, Jonathan C.; Howard, Judith A. K.; Marder, Todd B.","Octafluoronaphthalene‒1,8-diaminonaphthalene (1/1)","Acta Crystallographica Section E","2001","57","10","o950","o952","10.1107/S1600536801015100","","","0.71073","MoKα","","0.036","0.03","","","","0.083","","","","","","1.03","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00","" "2200637","7.9692","0.0008","11.1288","0.0011","13.5622","0.0013","107.529","0.002","104.567","0.002","101.135","0.002","1061.92","0.18","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","1-Methyl-3-(4-methylphenylsulfonyl)-2-(4-methylphenylsulfonylimino)benzimidazole","","- C22 H21 N3 O4 S2 -","- C22 H21 N3 O4 S2 -","- C44 H42 N6 O8 S4 -","2","1","CI6059","Beloso, Inmaculada; Castro, Jesús; Pérez-Lourido, Paulo","1-Methyl-3-(4-methylphenylsulfonyl)-2-(4-methylphenylsulfonylimino)benzimidazole","Acta Crystallographica Section E","2001","57","11","o1067","o1069","10.1107/S1600536801016075","","","0.71073","MoKα","","0.067","0.048","","","","0.127","","","","","","1","","","","has coordinates","201973","2020-10-21","18:00:00","" "2200638","9.399","0.006","11.836","0.009","8.041","0.003","97.64","0.05","111.08","0.03","71.83","0.07","792.8","0.9","293","2","293","2","","","","","","","","3","P -1","-P 1","2","Pachypodol","4,5'-dihydroxy-3,3',7-trimethoxyflavone","","- C18 H16 O7 -","- C18 H16 O7 -","- C36 H32 O14 -","2","1","CI6060","Graham Smith; Ertong Wang; John P. Bartley; Raymond C. Bott","Pachypodol (4,5'-dihydroxy-3,3',7-trimethoxyflavone)","Acta Crystallographica Section E","2001","57","10","o973","o975","10.1107/S1600536801015252","","","0.71069","MoKα","","0.131","0.045","","","","0.155","","","","","","1","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00","" "2200639","12.18","0.007","10.98","0.003","7.729","0.003","99.75","0.01","108.7","0.02","79","0.3","954.6","1.1","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","tetra-mu-acetato-O:O'-bis(quinoline-N)diruthenium(II,III)hexafluorophosphate quinoline solvate","","- C35 H33 F6 N3 O8 P Ru2 -","- C35 H33 F6 N3 O8 P Ru2 -","- C35 H33 F6 N3 O8 P Ru2 -","1","0.5","CI6061","Gilfoy, Heather J.; Robertson, Katherine N.; Cameron, T. Stanley; Aquino, Manuel A.S.","Tetra-μ-acetato-O:O'-bis(quinoline-N)diruthenium(II,III) hexafluorophosphate quinoline solvate","Acta Crystallographica Section E","2001","57","11","m496","m497","10.1107/S1600536801016063","","","1.5418","CuKα","","0.057","0.043","","","","0.131","","","","","","1.05","","","","has coordinates,has disorder","176774","2020-10-21","18:00:00","" "2200640","11.056","0.0009","5.3326","0.0004","11.4712","0.0007","90","0.01","101.07","0.01","90","0.01","663.73","0.09","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","L-phenylalaninium maleate","L-Phenylalaninium maleate","","- C13 H15 N O6 -","- C13 H15 N O6 -","- C26 H30 N2 O12 -","2","1","CI6062","M. Alagar; R. V. Krishnakumar; S. Natarajan","L-Phenylalaninium maleate","Acta Crystallographica Section E","2001","57","10","o968","o970","10.1107/S1600536801015240","","","1.5418","CuKα","","0.03","0.028","","","","0.078","","","","","","1.13","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00","" "2200641","7.1468","0.0002","14.8464","0.0005","15.1091","0.0005","90","","97.41","0.001","90","","1589.75","0.09","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","1,5-Dichloro-3,6-diphenyl-3-azabicyclo[3.2.0]-hept-6-ene-2,4-dione","","- C18 H11 Cl2 N O2 -","- C18 H11 Cl2 N O2 -","- C72 H44 Cl8 N4 O8 -","4","1","CI6063","Anwar Usman; Ibrahim Abdul Razak; Hoong-Kun Fun; Suchada Chantrapromma; Bao-Guo Zhao; Jian-Hua Xu","1,5-Dichloro-3,6-diphenyl-3-azabicyclo[3.2.0]hept-6-ene-2,4-dione","Acta Crystallographica Section E","2001","57","10","o990","o991","10.1107/S1600536801015665","","","0.71073","MoKα","","0.076","0.055","","","","0.132","","","","","","0.89","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00","" "2200642","7.5566","0.0005","10.3679","0.0007","12.7275","0.0008","102.273","0.001","100.562","0.001","100.703","0.001","931.28","0.11","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","4-[α-benzoyl-α-(2-phenylethynyl)methylene]isoquinoline-1,3-dione","","- C25 H15 N O3 -","- C25 H15 N O3 -","- C50 H30 N2 O6 -","2","1","CI6064","Anwar Usman; Ibrahim Abdul Razak; Hoong-Kun Fun; Suchada Chantrapromma; Yan Zhang; Jian-Hua Xu","4-[α-Benzoyl-α-(2-phenylethynyl)methylene]isoquinoline-1,3-dione","Acta Crystallographica Section E","2001","57","11","o1055","o1057","10.1107/S1600536801016956","","","0.71073","MoKα","","0.099","0.074","","","","0.195","","","","","","0.91","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00","" "2200643","4.7919","0.0009","15.775","0.003","25.228","0.005","90","","90","","90","","1907","0.6","294","2","294","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","N,N'-Di-2-methoxyphenylpyridine-2,6-dicarboxamide","","- C21 H19 N3 O4 -","- C21 H19 N3 O4 -","- C84 H76 N12 O16 -","4","1","CI6065","Yang, Qi Yun; Zhou, Zhong Yuan; Qi, Jian Ying","N,N'-Bis(2-methoxyphenyl)pyridine-2,6-dicarboxamide","Acta Crystallographica Section E","2001","57","12","o1161","o1162","10.1107/S1600536801018694","","","0.71073","MoKα","","0.142","0.041","","","","0.104","","","","","","0.85","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00","" "2200644","6.183","0.0012","9.648","0.0019","10.534","0.002","104.92","0.03","106.32","0.03","104.4","0.03","546.7","0.3","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","DL-valinium maleate","","- C9 H15 N O6 -","- C9 H15 N O6 -","- C18 H30 N2 O12 -","2","1","CI6067","M. Alagar; R. V. Krishnakumar; A. Mostad; S. Natarajan","DL-Valinium maleate at 150K","Acta Crystallographica Section E","2001","57","11","o1102","o1104","10.1107/S1600536801017391","","","0.71073","MoKα","","0.049","0.045","","","","0.134","","","","","","1.09","","","","has coordinates","176774","2020-10-21","18:00:00","" "2200645","7.0167","0.0009","9.137","0.001","12.43","0.001","90.77","0.01","99.736","0.009","95.7","0.01","781.17","0.15","293","2","293","2","","","","","","","","5","P -1","-P 1","2","4-aminobenzenesulfonamide 3,5-dinitrosalicylate","","","- C13 H12 N4 O9 S -","- C13 H12 N4 O9 S -","- C26 H24 N8 O18 S2 -","2","1","CI6068","Graham Smith; Urs D. Wermuth; Jonathan M. White","The 1:1 proton-transfer compound of sulfanilamide with 3,5-dinitrosalicylic acid","Acta Crystallographica Section E","2001","57","11","o1036","o1038","10.1107/S1600536801016841","","","0.71069","MoKα","","0.045","0.037","","","","0.098","","","","","","1.05","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00","" "2200646","19.929","0.001","4.3417","0.0002","22.788","0.002","90","","91.4","0.01","90","","1971.2","0.2","293","2","293","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","1,3-bis(8-chlorotheophyllin-7-yl)propane","1,3-bis(8-chlorotheophyllin-7-yl)propane","","- C17 H18 Cl2 N8 O4 -","- C17 H18 Cl2 N8 O4 -","- C68 H72 Cl8 N32 O16 -","4","0.5","CI6069","Maulik, Prakas R.; Avasthi, Kamlakar; Sarkhel, Sanjay; Sharon, Ashoke; Rawat, Diwan S.; Bal, Chandralata","1,3-Bis(8-chlorotheophyllin-7-yl)propane: a molecule with no intramolecular stacking","Acta Crystallographica Section E","2001","57","12","o1163","o1165","10.1107/S1600536801018670","","","0.71073","MoKα","","0.047","0.037","","","","0.098","","","","","","1.07","","","","has coordinates","176774","2020-10-21","18:00:00","" "2200647","8.9118","0.0018","9.4953","0.0019","23.628","0.005","90","","90","","90","","1999.4","0.7","123","2","123","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","Cinnamonylaceton","6-phenyl-hex-5-ene-2,3-dione","","- C12 H12 O2 -","- C12 H12 O2 -","- C96 H96 O16 -","8","1","CI6070","Arrieta, Antonio F.; Arvid Mostad","Orthorhombic form of 6-phenylhex-5-ene-2,4-dione","Acta Crystallographica Section E","2001","57","12","o1198","o1199","10.1107/S1600536801018669","","","0.71073","MoKα","","0.051","0.041","","","","0.137","","","","","","1.12","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00","" "2200648","8.957","0.001","9.667","0.001","9.827","0.001","110.1","0.01","92.42","0.01","110.39","0.01","736.21","0.16","293","2","293","2","","","","","","","","3","P 1","P 1","1","Rearranged taxoid","10,13-Deacetyl abeo-baccatin IV","","- C28 H40 O12 -","- C28 H40 O12 -","- C28 H40 O12 -","1","1","CI6071","Chattopadhyay, Sunil K.; Sharon, Ashoke; Yadav, Umesh; Srivastava, Sachin; Mehta, Vijay K.; Maulik, Prakas R.","A taxane diterpenoid from the needles of Taxus wallichiana","Acta Crystallographica Section E","2001","57","12","o1158","o1160","10.1107/S1600536801018773","","","0.71073","MoKα","","0.039","0.038","","","","0.105","","","","","","1.04","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00","" "2200649","14.2875","0.0004","14.5396","0.0004","20.2212","0.0006","90","","101.504","0.001","90","","4116.3","0.2","223","2","223","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","Chlorotri(p-methoxyphenyl)phosphinegold(I)","","- C21 H21 Au Cl O3 P -","- C21 H21 Au Cl O3 P -","- C168 H168 Au8 Cl8 O24 P8 -","8","1","CI6073","Soo Yei, Ho; Tiekink, Edward R. T.","Chloro[tris(p-methoxyphenyl)phosphine]gold(I)","Acta Crystallographica Section E","2001","57","11","m549","m550","10.1107/S1600536801017895","","","0.71069","MoKα","","0.036","0.028","","","","0.064","","","","","","0.95","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00","" "2200650","9.5207","0.001","9.1141","0.001","14.1033","0.0014","90","","101.957","0.008","90","","1197.2","0.2","89","2","89","2","","","","","","","","6","P 1 21 1","P 2yb","4","oxazolidinone derivative","(3R,4S,5R,6R)-5-[(1R)-1-Chloro(phenylmethyl)]-3-[(4-methylphenyl) sulfonyl]-4-phenyl-1-aza-8-oxabicyclo[4.3.0]nonan-9-one","","- C27 H26 Cl N O4 S -","- C27 H26 Cl N O4 S -","- C54 H52 Cl2 N2 O8 S2 -","2","1","CI6075","Mariuska Reynoso-Paz; Marilyn M. Olmstead; Mark J. Kurth; Neil E. Schore","An enantiopure bicyclic pentasubstituted piperidine","Acta Crystallographica Section E","2001","57","12","o1177","o1178","10.1107/S1600536801019055","","","0.71073","MoKα","","0.037","0.03","","","","0.071","","","","","","0.97","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00","" "2200651","7.949","0.005","11.54","0.007","12.118","0.007","83.2","0.011","85.971","0.012","77.557","0.011","1076.7","1.1","293","2","","","","","","","","","","4","P -1","-P 1","2","","3,6-di-2-pyridyl-1-H-4-(1,4-di-2-pyridyl-2,3-diaze-4-carbonyl)-1-yl- 1,2,4,5-tetrazine","","- C24 H18 N10 O -","- C24 H18 N10 O -","- C48 H36 N20 O2 -","2","1","CI6079","Li-Ya Wang; Chun-Xia Du; Yu-Qin Fu","3,6-Di-2-pyridyl-4-{[(2-pyridyl)carbonyldiazenyl](2-pyridyl)methyl}-1H-1,2,4,5-tetrazine: the proton-assisted hydrolysis product of 3,6-di-2-pyridyl-1,2,4,5-tetrazine (dptz)","Acta Crystallographica Section E","2001","57","12","o1237","o1239","10.1107/S1600536801020049","","","0.71073","MoKα","","0.175","0.056","","","","0.086","","","","","","0.88","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00","" "2200652","11.782","0.004","10.288","0.003","20.461","0.003","90","","100.2","0.02","90","","2440.9","1.2","298","2","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C14 H14 Cl N O -","- C14 H14 Cl N O -","- C112 H112 Cl8 N8 O8 -","8","2","CI6084","A. Thiruvalluvar; V. Parthasarathi; V. Kabaleeswaran; S. S. Rajan; A. Nagarajan; M. Krishna Pillay","5-(4-Chlorophenyl)-3-oxa-4-azatricyclo[5.2.1.0^2,6^]dec-4-ene","Acta Crystallographica Section E","2001","57","12","o1240","o1241","10.1107/S1600536801020268","","","1.5418","CuKα","","","0.047","","","","0.144","","","","","","1.05","","","","has coordinates,has Fobs","176428","2020-10-21","18:00:00","" "2200653","11.6758","0.0001","12.9704","0.0001","15.2874","0.0002","110.272","0.0004","109.81","0.0005","92.8572","0.0004","2006.16","0.04","123","1","123","1","","","","","","","","6","P -1","-P 1","2","","Dichlorobis(triphenylphosphine oxide)zinc(II)","","- C44 H46 Cl2 O4 P2 Zn -","- C44 H46 Cl2 O4 P2 Zn -","- C88 H92 Cl4 O8 P4 Zn2 -","2","1","CV6052","Zeller, A.; Herdtweck, E.; Strassner, T.","Dichlorobis(triphenylphosphine oxide)zinc(II) tetrahydrofuran disolvate","Acta Crystallographica Section E","2001","57","10","m480","m482","10.1107/S1600536801015318","","","0.71073","MoKα","","0.0359","0.0326","","","","0.0872","","","","","","1.049","","","","has coordinates","176774","2020-10-21","18:00:00","" "2200654","7.009","","19.8634","0.0004","16.2811","0.0003","90","","101.422","0.001","90","","2221.81","0.06","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Aqua(N,N'-disalicylideneethylenediamino-N,N'O,O')(4,5-imidazoledicarboxylato- O)manganese(III) monohydrate","","- C21 H21 Mn N4 O8 -","- C21 H21 Mn N4 O8 -","- C84 H84 Mn4 N16 O32 -","4","1","CV6053","Huang, Deguang; Zhang, Xiaofeng; Zhu, Hongping; Chen, Changneng; Liu, Qiutian","Aqua(N,N'-disalicylideneethylenediamino-N,N',O,O')(4,5-imidazoledicarboxylato-O)manganese(III) monohydrate","Acta Crystallographica Section E","2001","57","10","m441","m443","10.1107/S1600536801014817","","","0.71073","MoKα","","0.0524","0.037","","","","0.1304","","","","","","0.967","","","","has coordinates,has Fobs","211196","2020-10-21","18:00:00","" "2200655","7.266","0.002","13.925","0.003","30.327","0.006","90","","90","","90","","3068.5","1.2","193","2","193","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","catena-Poly[[dicyanamidobis(3-hydroxypyridine-N)copper(II)]-μ-dicyanamido]","","- C14 H10 Cu N8 O2 -","- C14 H10 Cu N8 O2 -","- C112 H80 Cu8 N64 O16 -","8","1","CV6054","Albada, Gerard A. van; Mutikainen, Ilpo; Turpeinen, Urho; Reedijk, Jan","catena-Poly[[dicyanamidobis(3-hydroxypyridine-N)copper(II)]-μ-dicyanamido]","Acta Crystallographica Section E","2001","57","10","m421","m423","10.1107/S160053680101460X","","","1.5418","CuKα","","0.0543","0.0407","","","","0.1198","","","","","","0.81","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00","" "2200656","14.173","0.002","11.146","0.002","16.571","0.003","90","","93.82","0.01","90","","2611.9","0.8","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Heptacarbonyl-κ^3^C,2κ^4^C-{μ-dicyclohexyl[(η^5^)-cyclopentadienyl]- phosphine-2κP}molybdenumrhenium(Mo—Re)","","- C24 H26 Mo O7 P Re -","- C24 H26 Mo O7 P Re -","- C96 H104 Mo4 O28 P4 Re4 -","4","1","CV6055","Flörke, Ulrich","Heptacarbonyl-κ^3^C,2κ^4^C-{μ-dicyclohexyl[1(η^5^)-cyclopentadienyl]phosphine-2κP}molybdenumrhenium(Mo‒Re)","Acta Crystallographica Section E","2001","57","10","m424","m425","10.1107/S1600536801014684","","","0.71073","MoKα","","0.0902","0.0429","","","","0.0898","","","","","","0.964","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00","" "2200657","12.4163","0.0002","8.3038","0.0002","16.4517","0.0003","90","","106.949","0.001","90","","1622.54","0.06","150","1","150","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Diethylammonium diphenylphosphinate","","- C16 H22 N O2 P -","- C16 H22 N O2 P -","- C64 H88 N4 O8 P4 -","4","1","CV6056","Dorn, Hendrik; Lough, Alan J.; Manners, Ian","Diethylammonium diphenylphosphinate","Acta Crystallographica Section E","2001","57","10","o928","o929","10.1107/S1600536801014696","","","0.71073","MoKα","","0.047","0.0399","","","","0.1059","","","","","","1.028","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00","" "2200658","5.994","0.002","10.182","0.005","11.479","0.005","109.43","0.05","99.76","0.04","97.37","0.05","638.1","0.5","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","Phenyl 2,4,6-tribromophenyl ether","","- C12 H7 Br3 O -","- C12 H7 Br3 O -","- C24 H14 Br6 O2 -","2","1","CV6057","Eriksson, Lars; Hu, Jiwei","Phenyl 2,4,6-tribromophenyl ether","Acta Crystallographica Section E","2001","57","10","o930","o932","10.1107/S1600536801014702","","","0.71073","MoKα","","0.0565","0.0334","","","","0.0655","","","","","","1.23","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00","" "2200659","17.848","0.002","5.2214","0.0007","9.568","0.001","90","","105.7","0.01","90","","858.39","0.18","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C10 H9 N O2 -","- C10 H9 N O2 -","- C40 H36 N4 O8 -","4","1","CV6058","Degen, Alexander; Bolte, Michael","The twinned crystal structure of 3-indolylacetic acid","Acta Crystallographica Section E","2001","57","11","o999","o1000","10.1107/S160053680101532X","","","0.71073","MoKα","","0.038","0.0286","","","","0.0743","","","","","","1.005","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00","" "2200660","42.138","0.002","19.4444","0.001","26.255","0.002","90","","110.969","0.01","90","","20087","2","150","2","","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C90 H76 F36 N6 O12.5 Zn3 -","- C90 H76 F36 N6 O12.5 Zn3 -","- C720 H608 F288 N48 O100 Zn24 -","8","1","CV6059","Coles, Simon J.; Granifo, Juan; Hursthouse, Michael B.; Osborne, Anthony G.","mer-Bis{2,6-bis[1-(4-tert-butylphenylimino)ethyl]pyridine}zinc(II) bis[tris(hexafluoroacetylacetonato)zincate(II)] diethyl ether hemisolvate","Acta Crystallographica Section E","2001","57","11","m535","m537","10.1107/S1600536801015458","","","0.71069","MoKα","","","0.0612","","","","0.129","","","","","","0.758","","","","has coordinates","176435","2020-10-21","18:00:00","" "2200661","9.443","0.0003","10.139","0.0003","14.138","0.0007","96.023","0.001","95.676","0.001","112.223","0.002","1231.94","0.08","110","2","110","2","","","","","","","","3","P -1","-P 1","2","","N,N'-bis(4-cyanopyridylidene)benzil dihydrazone","","- C30 H20 N6 -","- C30 H20 N6 -","- C60 H40 N12 -","2","1","CV6060","Goutam Kumar Patra; Israel Goldberg","N,N'-Bis(4-cyanopyridylidene)benzil dihydrazone","Acta Crystallographica Section E","2001","57","10","o988","o989","10.1107/S1600536801015768","","","0.7107","MoKα","","0.1383","0.0561","","","","0.1536","","","","","","0.972","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00","" "2200662","11.918","0.0002","15.97","0.0002","33.193","0.0006","90","","90","","90","","6317.64","0.17","110","2","110","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","Tetrakis(4-acetylpyridine)diisothiocyanatocobalt(II)","","- C30 H28 Co N6 O4 S2 -","- C30 H28 Co N6 O4 S2 -","- C240 H224 Co8 N48 O32 S16 -","8","1","CV6061","Goutam Kumar Patra; Israel Goldberg","Tetrakis(4-acetylpyridine)diisothiocyanatocobalt(II)","Acta Crystallographica Section E","2001","57","10","m483","m484","10.1107/S1600536801015446","","","0.71073","MoKα","","0.1039","0.0456","","","","0.1147","","","","","","1.022","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00","" "2200663","19.997","0.002","6.2259","0.001","13.5028","0.001","90","","103.02","0.02","90","","1637.9","0.4","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","Dichlorobis(DL-valine)zinc(II)","Dichlorobis(DL-valine)zinc(II)","","- C10 H22 Cl2 N2 O4 Zn -","- C10 H22 Cl2 N2 O4 Zn -","- C40 H88 Cl8 N8 O16 Zn4 -","4","0.5","CV6062","M. Subha Nandhini; R. V. Krishnakumar; S. Natarajan","Dichlorobis(DL-valine)zinc(II)","Acta Crystallographica Section E","2001","57","11","m498","m500","10.1107/S1600536801016099","","","1.5418","CuKα","","0.0533","0.0527","","","","0.1372","","","","","","1.109","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00","" "2200664","22.9292","0.0006","9.5033","0.0003","7.5152","0.0002","90","","90","","90","","1637.59","0.08","293","2","293","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","p-Methoxybenzaldehyde-9-fluorenylidenehydrazone","","- C21 H16 N2 O -","- C21 H16 N2 O -","- C84 H64 N8 O4 -","4","1","CV6063","Hoong-Kun Fun; Suchada Chantrapromma; Ibrahim Abdul Razak; Anwar Usman; Wen Ma; Yu Peng Tian; Sheng Yi Zhang; Wu Jie Ying; Fu Xin Xie","p-Methoxybenzaldehyde 9-fluorenylidenehydrazone","Acta Crystallographica Section E","2001","57","11","o1043","o1044","10.1107/S1600536801016555","","","0.71073","MoKα","","0.116","0.0524","","","","0.1245","","","","","","0.94","","","","has coordinates","201973","2020-10-21","18:00:00","" "2200665","7.1944","0.0006","7.592","0.0003","15.919","0.0015","90","","90","","90","","869.49","0.11","203","2","203","2","","","","","","","","2","P 21 21 21","P 2ac 2ab","19","α-Pinene","(1S)-(-)-α-Pinene","","- C10 H16 -","- C10 H16 -","- C40 H64 -","4","1","","Bond, Andrew D.; Davies, John E.","(1S)-(-)-α-Pinene","Acta Crystallographica Section E","2001","57","11","o1039","o1040","10.1107/S1600536801016415","","","0.7107","MoKα","","0.0559","0.0457","","","","0.1029","","","","","","1.064","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00","" "2200666","7.5079","0.0003","9.3361","0.0008","12.4875","0.0011","90","","90","","90","","875.31","0.11","185","2","185","2","","","","","","","","2","P 21 21 21","P 2ac 2ab","19","β-Pinene: Nopinene","(1S)-(-)-β-Pinene","","- C10 H16 -","- C10 H16 -","- C40 H64 -","4","1","CV6065","Bond, Andrew D.; Davies, John E.","(1S)-(‒)-β-Pinene","Acta Crystallographica Section E","2001","57","11","o1041","o1042","10.1107/S1600536801016427","","","0.7107","MoKα","","0.0724","0.0603","","","","0.1552","","","","","","1.091","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00","" "2200667","14.042","0.002","8.924","0.002","16.091","0.003","90","","94.41","0.002","90","","2010.4","0.7","173","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","Hydrated sodium cytidine-5'-monophosphate","","- C9 H25 N3 Na2 O14.5 P -","- C9 H12 N3 Na2 O14.5 P -","- C36 H48 N12 Na8 O58 P4 -","4","2","CV6066","Gh. Borodi; A. Hernanz; I. Bratu; Mihaela Pop; R. Navarro","Hydrated sodium cytidine-5'-monophosphate","Acta Crystallographica Section E","2001","57","11","m514","m516","10.1107/S1600536801016786","","","0.7107","MoKα","","0.1644","0.0613","","","","0.186","","","","","","1.05","","","","has coordinates","176435","2020-10-21","18:00:00","" "2200668","7.7184","0.0015","7.8674","0.0016","25.374","0.005","90","","90","","90","","1540.8","0.5","120","2","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C15 H19 Br O4 -","- C15 H19 Br O4 -","- C60 H76 Br4 O16 -","4","1","CV6067","Coles, Simon J.; Hursthouse, Michael B.","(2S)-1-(4-Bromophenyl)-2-hydroxy-2-[(2S,5R)-5-(1-hydroxy-1-methylethyl)-tetrahydrofuran-2-yl]ethanone","Acta Crystallographica Section E","2001","57","11","o1061","o1062","10.1107/S1600536801017020","","","0.71073","MoKα","","","0.0691","","","","0.1931","","","","","","1.041","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00","" "2200669","8.9295","0.0018","14.792","0.003","25.812","0.005","90","","90","","90","","3409.4","1.2","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C14 H27 Cl P Rh -","- C14 H27 Cl P Rh -","- C112 H216 Cl8 P8 Rh8 -","8","1","CV6068","Wendt Ola F.","Chloro(methyl)(η^5^-pentamethylcyclopentadienyl)(trimethylphosphine)rhodium(III)","Acta Crystallographica Section E","2001","57","11","m517","m518","10.1107/S1600536801016798","","","0.71073","MoKα","","0.1201","0.0537","","","","0.1652","","","","","","1","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00","" "2200670","5.3067","0.0002","9.3552","0.0006","20.0955","0.0012","90","","90","","90","","997.65","0.1","262","2","262","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C8 H13 Cl O3 -","- C8 H13 Cl O3 -","- C32 H52 Cl4 O12 -","4","1","CV6069","Davies, J. E.; Hook, D. F.; Ley, S. V.","(‒)-(4S)-1-Chloro-3-(2,2-dimethyl-1,3-dioxolan-4-yl)propan-2-one","Acta Crystallographica Section E","2001","57","11","o1098","o1099","10.1107/S1600536801017512","","","0.71073","MoKα","","0.058","0.0395","","0.1012","","0.0932","","","1.144","","","1.197","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00","" "2200671","12.017","0.002","10.09","0.003","8.804","0.004","84.43","0.003","94.9","0.003","104.59","0.003","1026.1","0.6","293","2","290","","","","","","","","","4","P -1","-P 1","2","trimethoprim glutarate","2,4-diamino-5-(3,4,5-trimethoxybenzyl)pyrimidin-1-ium glutarate","","- C19 H26 N4 O7 -","- C19 H26 N4 O7 -","- C38 H52 N8 O14 -","2","1","CV6070","Justin Robert, Jebamony; Baskar Raj, Savarimuthu; Thomas Muthiah, Packianathan","N—H···O and O—H···O hydrogen bonds in crystal engineering: trimethoprim hydrogen glutarate","Acta Crystallographica Section E","2001","57","12","o1206","o1208","10.1107/S1600536801018001","","","1.5418","CuKα","","0.048","0.048","","0.1402","","0.1401","","","","","","1.113","","","","has coordinates","201973","2020-10-21","18:00:00","" "2200672","7.229","0.001","23.242","0.001","20.373","0.001","90","","98.59","0.01","90","","3384.6","0.5","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Trimethoprim sulfate trihydrate","","","- C28 H44 N8 O13 S -","- C28 H44 N8 O13 S -","- C112 H176 N32 O52 S4 -","4","1","CV6071","Thomas Muthiah, Packianathan; Umadevi, Balakrishnan; Stanley, Nithianantham; Shui, Xiugi; Eggleston, Drake S","Hydrogen bonding patterns in trimethoprim sulfate trihydrate [trimethoprim = 2,4-diamino-5-(3,4,5-methoxybenzyl)pyrimidine]","Acta Crystallographica Section E","2001","57","12","o1179","o1182","10.1107/S1600536801018657","","","0.71069","MoKα","","0.0449","0.0361","","","","0.0916","","","","","","1.06","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00","" "2200673","7.7864","0.0008","7.0874","0.0007","14.5616","0.0015","90","","90.174","0.002","90","","803.58","0.14","293","2","293","2","","","","","","","","5","P 1 2/n 1","-P 2yac","13","C18 H14 Cl2 Co N2","dichlorobis(quinoline-N)cobalt(II)","","- C18 H14 Cl2 Co N2 -","- C18 H14 Cl2 Co N2 -","- C36 H28 Cl4 Co2 N4 -","2","0.5","CV6072","Wang, Wenguo; Huang, Deguang; Zhu, Hongping; Chen, Changneng; Liu, Qiutian","Monoclinic form of dichlorobis(quinoline-N)cobalt(II)","Acta Crystallographica Section E","2001","57","12","m587","m588","10.1107/S1600536801019420","","","0.71073","MoKα","","0.0362","0.0291","","","","0.0809","","","","","","1.022","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00","" "2200674","10.6627","0.0012","18.549","0.002","14.742","0.002","90","","95.293","0.01","90","","2903.3","0.6","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Tris(trimethylsilylmethyl)bis(tetrahydrofuran-O)ytterbium(III)","","- C20 H49 O2 Si3 Yb -","- C20 H49 O2 Si3 Yb -","- C80 H196 O8 Si12 Yb4 -","4","1","CV6074","Niemeyer, Mark","A trigonal-bipyramidal coordinated ytterbium(III) alkyl: tris(trimethylsilylmethyl)bis(tetrahydrofuran-O)ytterbium(III)","Acta Crystallographica Section E","2001","57","12","m553","m555","10.1107/S1600536801018566","","","0.71073","MoKα","","0.094","0.055","","","","0.127","","","","","","1.153","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00","" "2200675","9.753","0.001","10.069","0.001","12.255","0.001","98.17","0.01","103.37","0.01","111.63","0.01","1053.5","0.2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","O,O-Diphenyl 1-(3-phenylthioureido)ethanephosphonate","","- C21 H21 N2 O3 P S -","- C21 H21 N2 O3 P S -","- C42 H42 N4 O6 P2 S2 -","2","1","CV6077","Chęcińska, Lilianna; Małecka, Magdalena; Olszak, Tomasz A.; Kudzin, Zbigniew H.","O,O-Diphenyl 1-(3-phenylthioureido)ethanephosphonate","Acta Crystallographica Section E","2001","57","12","o1216","o1218","10.1107/S1600536801019729","","","1.54178","CuKα","","0.0779","0.051","","","","0.1301","","","","","","1.041","","","","has coordinates","201973","2020-10-21","18:00:00","" "2200676","7.6104","0.0006","7.8699","0.0007","9.8571","0.0009","81.891","0.002","83.268","0.002","85.499","0.002","579.29","0.09","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","2-Chlorobenzoxazolo[3,2-b]isoquinolin-6-one","","- C15 H8 Cl N O2 -","- C15 H8 Cl N O2 -","- C30 H16 Cl2 N2 O4 -","2","1","CV6078","Thangavel Ravishankar; Kandasamy Chinnakali; A. Senthilvelan; Hoong-Kun Fun; Vayalakkavoor T. Ramakrishnan; Suchada Chantrapromma; Ibrahim Abdul Razak; Anwar Usman","2-Chlorobenzoxazolo[3,2-b]isoquinolin-6-one","Acta Crystallographica Section E","2001","57","12","o1209","o1210","10.1107/S1600536801019274","","","0.71073","MoKα","","0.097","0.069","","","","0.173","","","","","","0.93","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00","" "2200677","10.061","0.001","20.561","0.001","11.375","0.001","90","","105.38","0.01","90","","2268.8","0.3","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","O,O-diphenyl 1-(3-phenylthioureido)-2-methylpropanephosphonate","","- C23 H25 N2 O3 P S -","- C23 H25 N2 O3 P S -","- C92 H100 N8 O12 P4 S4 -","4","1","CV6079","Chęcińska, Lilianna; Małecka, Magdalena; Olszak, Tomasz A.; Kudzin, Zbigniew H.","O,O-Diphenyl 2-methyl-1-(3-phenylthioureido)propanephosphonate","Acta Crystallographica Section E","2001","57","12","o1213","o1215","10.1107/S1600536801019730","","","1.54178","CuKα","","0.0714","0.0537","","","","0.141","","","","","","0.918","","","","has coordinates","176774","2020-10-21","18:00:00","" "2200678","9.7151","0.0002","11.6911","0.0003","12.4332","0.0003","77.401","0.001","80.521","0.001","70.905","0.001","1295.65","0.05","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","Trans-2-(2-bromo-4-methylphenyloxy)-cyclohexanol","","- C13 H17 Br O2 -","- C13 H17 Br O2 -","- C52 H68 Br4 O8 -","4","2","CV6080","Thangavel Ravishankar; Kandasamy Chinnakali; Kamaraj Sriraghavan; Vayalakkavoor T.Ramakrishnan; Hoong-Kun Fun; Suchada Chantrapromma; Ibrahim Abdul Razak; Anwar Usman","trans-2-(2-Bromo-4-methylphenyloxy)cyclohexanol","Acta Crystallographica Section E","2001","57","12","o1211","o1212","10.1107/S1600536801019432","","","0.71073","MoKα","","0.0909","0.0473","","","","0.1217","","","","","","0.995","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00","" "2200679","7.6602","0.0015","11.12","0.002","12.572","0.003","94.09","0.03","102.64","0.03","95.77","0.03","1034.8","0.4","120","2","","","","","","","","","","4","P -1","-P 1","2","","","","- C9 H10 O5 S -","- C9 H10 O5 S -","- C36 H40 O20 S4 -","4","2","DN6004","Coles, Simon J.; Guthmann, Holger; Hursthouse, Michael B.; Murphy, Patrick J.","2-Ethyl 5-methyl 3-hydroxythiophene-2,5-dicarboxylate","Acta Crystallographica Section E","2001","57","10","o976","o977","10.1107/S1600536801015379","","","0.71073","MoKα","","","0.0845","","","","0.2677","","","","","","1.05","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00","" "2200680","10.602","0.003","7.288","0.001","13.224","0.008","90","","93.8","0.02","90","","1019.5","0.7","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","2,4,6-trimethoxybenzoic acid","","- C10 H12 O5 -","- C10 H12 O5 -","- C40 H48 O20 -","4","1","DN6005","Jean-Claude, Wallet; Elies, Molins; Carlos, Miravitlles","2,4,6-Trimethoxybenzoic acid","Acta Crystallographica Section E","2001","57","11","o1073","o1074","10.1107/S1600536801016610","","","0.71073","MoKα","","0.0647","0.0458","","","","0.1501","","","","","","1.079","","","","has coordinates","201973","2020-10-21","18:00:00","" "2200681","18.297","0.002","7.7645","0.0009","11.928","0.0008","90","","102.681","0.007","90","","1653.2","0.3","298","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1-(Pyridin-2-yl)-3-méthyl-4-(1-pyridin-2-yl-3-méthyl-1H-pyrazol-5-yl) -2H-3-pyrazoline-5(1H)-one","","- C18 H16 N6 O -","- C18 H16 N6 O -","- C72 H64 N24 O4 -","4","1","DN6006","Djerrari, B.; Essassi, E. M.; Fifani, J.; Pierrot, M.","3-Méthyl-1-(pyridin-2-yl)-4-(1-pyridin-2-yl-3-méthyl-1H-pyrazol-5-yl)-2H-3-pyrazolin-5(1H)-one","Acta Crystallographica Section E","2001","57","11","o1126","o1127","10.1107/S1600536801018062","","","0.71073","MoKα","","0.0718","0.0557","","","","0.1268","","","","","","1.116","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00","" "2200682","10.8658","0.0007","9.4435","0.0005","11.7323","0.0008","90","","112.74","0.006","90","","1110.29","0.12","213","2","213","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","(±)-(1RS,2SR)-1,2-Di(2'-methyl-3'-oxo-cyclohex-1'-enyl)-1,2-diphenylethan","","- C28 H30 O2 -","- C28 H30 O2 -","- C56 H60 O4 -","2","0.5","","Ibrahim, Hasim; Bach, Thorsten; Harms, Klaus","(±)-(1RS,2SR)-1,2-Bis(2'-methyl-3'-oxo-cyclohex-1'-enyl)-1,2-diphenylethane","Acta Crystallographica Section E","2001","57","12","o1145","o1146","10.1107/S1600536801018384","","","1.54178","CuKα","","0.0643","0.058","","","","0.165","","","","","","1.072","","","","has coordinates","176428","2020-10-21","18:00:00","" "2200683","11.514","0.0006","11.207","0.0004","11.848","0.0006","90","","109.341","0.002","90","","1442.55","0.12","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C31 H48 O4 -","- C31 H48 O4 -","- C62 H96 O8 -","2","1","DN6009","Daoubi, M.; Benharref, A.; Pierrot, M.","3β-Acétoxy nor-31-lanostène-7,11-dione","Acta Crystallographica Section E","2001","57","12","o1187","o1188","10.1107/S1600536801019122","","","0.7107","MoKα","","0.0617","0.0543","","","","0.1437","","","","","","1.066","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00","" "2200684","12.7109","0.0001","14.1115","0.0002","27.0317","0.0003","90","","90","","90","","4848.67","0.1","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","mer,trans-{2,6-bis[(dimethylamino)methyl]pyridine}dichloropyridineruthenium(II) toluene solvate","","- C23 H32 Cl2 N4 Ru -","- C23 H32 Cl2 N4 Ru -","- C184 H256 Cl16 N32 Ru8 -","8","1","NA6084","Back, Stephan; Rheinwald, Gerd; del Río, Ignacio; van Koten, Gerard; Lang, Heinrich","[mer,trans-(NN'N)RuCl~2~(NC~5~H~5~)]·C~7~H~8~ {NN'N = 2,6-bis-[(dimethylamino)methyl]pyridine}","Acta Crystallographica Section E","2001","57","10","m444","m445","10.1107/S1600536801014878","","","0.71073","MoKα","","0.069","0.0515","","","","0.1171","","","","","","1.191","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00","" "2200685","7.652","0.007","8.903","0.006","14.664","0.016","97.38","0.08","95.06","0.07","114.22","0.06","892.5","1.5","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","Diaquabis(N,N-diethylnicotinamide)bis(2-hydroxybenzoato)zinc(II)","","- C34 H42 N4 O10 Zn -","- C34 H42 N4 O10 Zn -","- C34 H42 N4 O10 Zn -","1","0.5","NA6091","Necefoglu, Hacali; Clegg, William; Scott, Andrew J.","Diaquabis(N,N-diethylnicotinamide)bis(2-hydroxybenzoato)zinc(II)","Acta Crystallographica Section E","2001","57","10","m462","m464","10.1107/S1600536801015021","","","0.71073","MoKα","","0.0534","0.0503","","","","0.1284","","","","","","1.116","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00","" "2200686","7.211","0.003","8.588","0.004","16.515","0.007","96","0.02","100.79","0.02","112.09","0.03","913.6","0.7","160","2","160","2","","","","","","","","5","P -1","-P 1","2","","Diaquabis(N,N-diethylnicotinamide)bis(4-nitrobenzoato)zinc(II)","","- C34 H40 N6 O12 Zn -","- C34 H40 N6 O12 Zn -","- C34 H40 N6 O12 Zn -","1","0.5","NA6092","Necefoglu, Hacali; Clegg, William; Scott, Andrew J.","Diaquabis(N,N-diethylnicotinamide)bis(4-nitrobenzoato)zinc(II)","Acta Crystallographica Section E","2001","57","10","m465","m466","10.1107/S1600536801015033","","","0.71073","MoKα","","0.0314","0.0258","","","","0.0676","","","","","","1.096","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00","" "2200687","14.6542","0.0011","14.3344","0.0014","12.722","0.0012","90","","95.606","0.009","90","","2659.6","0.4","293","2","291","1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","N,N'-Bis[(4-ethoxyphenyl)aminoacetyl]-4,5-dimethyl-o-phenylenediamine","","- C28 H34 N4 O4 -","- C28 H34 N4 O4 -","- C112 H136 N16 O16 -","4","1","NA6093","Kruszynski, Rafal; Bartczak, Tadeusz J.; Mikiciuk-Olasik, Elżbieta","N,N'-Bis[(4-ethoxyphenyl)aminoacetyl]-4,5-dimethyl-o-phenylenediamine","Acta Crystallographica Section E","2001","57","10","o953","o955","10.1107/S1600536801015306","","","1.54052","CuKα","","0.1154","0.0477","","","","0.1748","","","","","","1.054","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00","" "2200688","13.321","0.003","9.101","0.002","14.279","0.003","90","","112.77","0.03","90","","1596.2","0.7","298","2","298","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","r-1,c-2,c-3,t-4,5-pentachloro-6-phenyltetralin","","- C16 H11 Cl5 -","- C16 H11 Cl5 -","- C64 H44 Cl20 -","4","1","NA6094","Bruno, Giuseppe; Panzalorto, Manuela; Nicoló, Francesco; Giannetto, Michele","r-1,c-2,c-3,t-4,5-Pentachloro-6-phenyltetralin","Acta Crystallographica Section E","2001","57","11","o1045","o1046","10.1107/S1600536801016762","","","0.71073","MoKα","","0.0697","0.0468","","0.154","","0.1274","","","1.01","","","1.038","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00","" "2200689","13.009","0.003","4.688","0.001","17.607","0.004","90","","103.6","0.02","90","","1043.7","0.4","290","1","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C8 H14 N O4 P -","- C8 H14 N O4 P -","- C32 H56 N4 O16 P4 -","4","1","NA6095","Fábry, Jan; Krupková, Radmila; Vaněk, Přemysl","2,4-Dimethylanilinium dihydrogenphosphate","Acta Crystallographica Section E","2001","57","11","o1058","o1060","10.1107/S1600536801016191","","","0.710688","MoKα","","0.1004","0.0341","","","","0.0406","","","1.75","1.43","1.43","1.75","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00","" "2200690","13.899","0.007","9.956","0.008","9.051","0.002","90","","108.726","0.008","90","","1186.2","1.2","293","2","293","2","","","","","","","","5","P 1 c 1","P -2yc","7","DL-phenylalaninium dihydrogen phosphate","DL-phenylalaninium dihydrogen phosphate","","- C9 H14 N O6 P -","- C9 H14 N O6 P -","- C36 H56 N4 O24 P4 -","4","2","NA6096","B. Ravikumar; B. Sridhar; R. K. Rajaram","DL-Phenylalaninium dihydrogen phosphate","Acta Crystallographica Section E","2001","57","11","o1078","o1080","10.1107/S1600536801016993","","","0.71073","MoKα","","0.0318","0.0277","","","","0.0744","","","","","","1.07","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00","" "2200691","9.6907","0.0009","10.3119","0.001","11.2549","0.0011","63.954","0.001","70.282","0.001","87.414","0.002","944.14","0.16","150","2","150","2","","","","","","","","6","P -1","-P 1","2","[Ni(II)(DMSO)6][2(NO3)][2(DMSO)]","","","- C16 H48 N2 Ni O14 S8 -","- C16 H48 N2 Ni O14 S8 -","- C16 H48 N2 Ni O14 S8 -","1","0.5","NA6097","Blake, Alexander J.; Felloni, Marina; Hubberstey, Peter; Schröder, Martin; Wilson, Claire","Hexakis(dimethyl sulfoxide)nickel(II) dinitrate dimethyl sulfoxide disolvate","Acta Crystallographica Section E","2001","57","12","m556","m557","10.1107/S1600536801016403","","","0.71073","MoKα","","0.0233","0.0211","","","","0.0574","","","","","","1.032","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00","" "2200692","7.5556","0.0003","8.0446","0.0003","22.9549","0.0008","90","","90","","90","","1395.24","0.09","150","2","150","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","2-Hydroxy-2-[5-(1-hydroxy-1-methyl-ethyl)-tetrahydro-furan-2-yl]-1-phenyl- ethanone","","- C15 H20 O4 -","- C15 H20 O4 -","- C60 H80 O16 -","4","1","NA6098","Light, Mark E.; Hursthouse, Michael B.","(2S*)-2-Hydroxy-2-[(2S*,5R*)-5-(1-hydroxy-1-methylethyl)tetrahydrofuran-2-yl]-1-phenylethanone","Acta Crystallographica Section E","2001","57","12","o1194","o1195","10.1107/S1600536801017007","","","0.71073","MoKα","","0.0637","0.054","","","","0.1464","","","","","","1.029","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00","" "2200693","10.973","0.002","12.764","0.003","20.721","0.004","90","","90","","90","","2902.2","1","150","2","150","2","","","","","","","","4","P n a 21","P 2c -2n","33","","(2S)-1-(4-fluorophenyl)-2-hydroxy-2-[(2S,5R)-5-(1-hydroxy-1-methylethyl)- tetrahydrofuran-2-yl]ethanone","","- C15 H19 F O4 -","- C15 H19 F O4 -","- C120 H152 F8 O32 -","8","2","NA6099","Light, Mark E.; Hursthouse, Michael B.","(2S)-1-(4-Fluorophenyl)-2-hydroxy-2-[(2S,5R)-5-(1-hydroxy-1-methylethyl)-tetrahydrofuran-2-yl]ethanone","Acta Crystallographica Section E","2001","57","12","o1196","o1197","10.1107/S1600536801017019","","","0.71073","MoKα","","0.1187","0.0487","","","","0.1128","","","","","","1.052","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00","" "2200694","7.59","0.0006","9.6858","0.0008","10.404","0.0009","74.141","0.002","83.65","0.002","78.772","0.002","720.32","0.1","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","1-Acetyl-1,2-dihydro-3-hydroxy-3-(benzofuran-3-yl)-2-oxo-(3H)indole","","- C18 H13 N O4 -","- C18 H13 N O4 -","- C36 H26 N2 O8 -","2","1","NA6100","Anwar Usman; Ibrahim Abdul Razak; Hoong-Kun Fun; Suchada Chantrapromma; Yan Zhang; Jian-Hua Xu","1-Acetyl-3-(benzofuran-3-yl)-1,2-dihydro-3-hydroxy-2-oxo-3H-indole","Acta Crystallographica Section E","2001","57","11","o1070","o1072","10.1107/S1600536801016324","","","0.71073","MoKα","","0.1221","0.0724","","","","0.174","","","","","","0.857","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00","" "2200695","12.3394","0.0001","9.1468","0.0001","15.9725","0.0001","90","","110.335","0.001","90","","1690.4","0.03","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Bis[methyl-N^β^-(dipropylaminophenyl-methylene)-dithiocarbazato]nickel(II)","","- C30 H44 N6 Ni S4 -","- C30 H44 N6 Ni S4 -","- C60 H88 N12 Ni2 S8 -","2","0.5","NA6101","Hoong-Kun Fun; Suchada Chantrapromma; Ibrahim Abdul Razak; Anwar Usman; Yin Wen Tang; Wen Ma; Jie Ying Wu; Yu Peng Tian","Bis{methyl N^{β^}-[4-(dipropylamino)benzylidene]dithiocarbazato}nickel(II)","Acta Crystallographica Section E","2001","57","11","m519","m521","10.1107/S1600536801016397","","","0.71073","MoKα","","0.0751","0.0595","","","","0.1437","","","","","","0.952","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00","" "2200696","8.3806","0.0002","9.5768","0.0003","9.1466","0.0003","90","","99.479","0.0013","90","","724.08","0.04","120","2","120","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","2-Ethyl-2-(hydroxymethyl)-1,3-propanediol","","- C6 H14 O3 -","- C6 H14 O3 -","- C24 H56 O12 -","4","1","NA6102","Zakaria, Choudhury M.; Low, John N.; Glidewell, Christopher","2-Ethyl-2-(hydroxymethyl)-1,3-propanediol at 120K: three hydrogen bonds generate a three-dimensional structure","Acta Crystallographica Section E","2001","57","11","o1081","o1083","10.1107/S1600536801017044","","","0.71073","MoKα","","0.0471","0.0355","","","","0.1003","","","","","","1.06","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00","" "2200697","8.8878","0.0003","10.6008","0.0002","11.2792","0.0003","62.253","0.001","87.872","0.001","82.953","0.001","933.16","0.04","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","Methyl 4-(3,5-dimethoxy-2-methylphenoxy)-2,6-dihydroxy-3-iodo-5-methylbenzoate","","- C18 H19 I O7 -","- C17.999 H19 I0.999 O7 -","- C35.998 H38 I1.998 O14 -","2","1","NA6103","Suchada Chantrapromma; Hoong-Kun Fun; Ibrahim Abdul Razak; Nisakorn Saewon; Chatchanok Karalai; Chanita Ponglimanont; Kan Chantrapromma","Disorder in methyl 4-(3,5-dimethoxy-2-methylphenoxy)-2,6-dihydroxy-3-iodo-5-methylbenzoate","Acta Crystallographica Section E","2001","57","11","o1047","o1049","10.1107/S1600536801016774","","","0.71073","MoKα","","0.1138","0.0881","","","","0.2257","","","","","","0.98","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00","" "2200698","8.277","0.002","9.723","0.002","16.5","0.002","90","","90","","90","","1327.9","0.5","298","2","298","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C12 H15 N O3 S2 -","- C12 H15 N O3 S2 -","- C48 H60 N4 O12 S8 -","4","1","NA6104","Hansen, Lars Kr.; Bayer, Annette; Gautun, Odd R.","exo-3,6-Dihydro-3-methyl-2-(toluene-4-sulfonyl)-1λ^4^,2-thiazine 1-oxide","Acta Crystallographica Section E","2001","57","11","o1109","o1110","10.1107/S1600536801017901","","","0.71069","MoKα","","0.0664","0.0568","","","","0.1621","","","","","","1.055","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00","" "2200699","13.5783","0.0003","15.2608","0.0003","17.5449","0.0004","90","","90","","90","","3635.58","0.14","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C15 H18 N10 Ni O -","- C15 H18 N10 Ni O -","- C120 H144 N80 Ni8 O8 -","8","1","NA6105","De-Zhong Niu; Bai-Wang Sun; Zai-Sheng Lu; Zhe-Ming Wang; Chun-Hua Yan","Diazido{N,N'-bis[2-(2-pyridyl)ethylene]-1,3-diaminopropane}nickel(II) monohydrate","Acta Crystallographica Section E","2001","57","12","m589","m590","10.1107/S1600536801019663","","","0.71073","MoKα","","0.0719","0.0376","","","","0.1003","","","","","","1.015","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00","" "2200700","12.513","0.004","4.977","0.003","16.388","0.009","90","","103.38","0.06","90","","992.9","0.9","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","1H-Benzimidazole-2-methanediol monohydrochloride monohydrate","1H-Benzimidazole-2-methanediol monohydrochloride monohydrate","","- C8 H11 Cl N2 O3 -","- C8 H11 Cl N2 O3 -","- C32 H44 Cl4 N8 O12 -","4","1","NA6106","Blake, Alexander J.; Hill, Stuart J.; Hubberstey, Peter","2-Dihydroxymethyl-3H-benzoimidazol-1-ium chloride monohydrate","Acta Crystallographica Section E","2001","57","12","o1258","o1260","10.1107/S1600536801020074","","","0.71073","MoKα","","0.049","0.037","","","","0.1","","","","","","1.21","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00","" "2200701","7.9428","0.0012","8.6647","0.0014","12.1383","0.0018","75.19","0.006","87.432","0.006","65.639","0.006","734","0.2","133","2","133","2","","","","","","","","6","P -1","-P 1","2","","Bis(triethanolamine-N,O,O')zinc(II) saccharinate","","- C26 H38 N4 O12 S2 Zn -","- C26 H38 N4 O12 S2 Zn -","- C26 H38 N4 O12 S2 Zn -","1","0.5","NA6107","Topcu, Yildiray; Yilmaz, Veysel T.; Thöne, Carsten","Bis(triethanolamine-N,O,O')zinc(II) disaccharinate","Acta Crystallographica Section E","2001","57","12","m600","m602","10.1107/S1600536801019857","","","0.71073","MoKα","","0.0458","0.0402","","","","0.1128","","","","","","1.064","","","","has coordinates","198632","2020-10-21","18:00:00","" "2200702","13.782","0.003","14.805","0.003","6.317","0.001","90","","90","","90","","1288.9","0.4","120","2","120","2","","","","","","","","3","F d d 2","F 2 -2d","43","2,6-Lutidine","2,6-Dimethylpyridine","","- C7 H9 N -","- C7 H9 N -","- C56 H72 N8 -","8","0.5","NA6108","Bond, Andrew D.; Davies, John E.; Kirby, Anthony J.","2,6-Lutidine","Acta Crystallographica Section E","2001","57","12","o1242","o1244","10.1107/S1600536801019869","","","0.71073","MoKα","","0.0618","0.0567","","","","0.1397","","","","","","1.105","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00","" "2200703","6.871","0.0006","8.835","0.001","19.042","0.002","90","","90","","90","","1156","0.2","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","2-acetyl-7-methylbenzo[e]indol","","- C15 H13 N O -","- C15 H13 N O -","- C60 H52 N4 O4 -","4","1","NA6110","Višnjevac, Aleksandar; Basarić, Nikola; Kojić-Prodić, Biserka; Šindler-Kulyk, Marija","Photochemical formation of 2-acetyl-7-methylbenz[e]indole","Acta Crystallographica Section E","2001","57","12","o1252","o1254","10.1107/S1600536801020153","","","1.5418","CuKα","","0.0856","0.0561","","","","0.1678","","","","","","1.084","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00","" "2200704","11.094","0.001","11.943","0.001","9.3399","0.0009","110.864","0.005","113.51","0.005","68.358","0.004","1022.57","0.17","193.2","","","","","","","","","","","3","P -1","-P 1","2","","","","- C22 H30 O4 -","- C22 H30 O4 -","- C44 H60 O8 -","2","1","OB6063","Miyake, Yasuhito; Hosoda, Asao; Nomura, Eisaku; Taniguchi, Hisaji","Ethyl 3-(4-geranyloxy-3-methoxyphenyl)-2-propenoate","Acta Crystallographica Section E","2001","57","11","o1096","o1097","10.1107/S1600536801017184","","","1.5418","CuKα","","","0.0591","","","","0.1205","","","","","","1.645","","","","has coordinates","201973","2020-10-21","18:00:00","" "2200705","10.8346","0.0006","6.7519","0.0003","24.363","0.001","90","","101.781","0.002","90","","1744.71","0.14","143.2","","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C17 H19 Ca N O6 -","- C17 H19 Ca N O6 -","- C68 H76 Ca4 N4 O24 -","4","1","OB6064","Yano, Shigenobu; Numata, Momoko; Kato, Masako; Motoo, Shiro; Nishimura, Toshio","catena-Poly[[aqua(benzoato)(N,N'-dimethylformamide)calcium(II)]-μ-benzoato]","Acta Crystallographica Section E","2001","57","10","m488","m490","10.1107/S1600536801014660","","","0.7107","MoKα","","","0.0445","","","","0.0487","","","","","","0.944","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00","" "2200706","10.156","0.002","19.733","0.001","9.486","0.001","90","","90","","90","","1901.1","0.4","294.2","","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C19 H23 N2 O5 P -","- C19 H23 N2 O5 P -","- C76 H92 N8 O20 P4 -","4","1","OB6066","Kiriko Kurokawa; Nobuko Kanehisa; Masaaki Sawa; Hirosato Kondo; Yasushi Kai","(+)-(3R)-N-Hydroxy-2-[(S)-ethoxy(4-methoxyphenyl)phosphoryl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide","Acta Crystallographica Section E","2001","57","10","o906","o908","10.1107/S1600536801014222","","","1.5418","CuKα","","","0.0406","","","","0.1017","","","","","","1.647","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00","" "2200707","15.222","0.002","16.848","0.002","15.93","0.002","90","","114.27","0.01","90","","3724.3","0.9","298","2","298","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C20.25 H22 N3 O3.25 -","- C20.25 H22 N3 O3.25 -","- C162 H176 N24 O26 -","8","4","OB6067","Hansen, Lars Kr.; Størmer, Fredrik C.; Petersen, Dirk; Aasen, Arne J.","Cycloechinulin, a Trp-Ala-derived alkaloid from the fungus Aspergillus ochraceus","Acta Crystallographica Section E","2001","57","10","o909","o912","10.1107/S1600536801014234","","","0.71069","MoKα","","0.1767","0.0636","","","","0.2089","","","","","","0.826","","","","has coordinates","201973","2020-10-21","18:00:00","" "2200708","7.949","0.005","11.067","0.005","14.116","0.005","74.22","0.05","86.26","0.05","84.67","0.05","1188.8","1.1","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","trans-Dichloro(meso-2,3,7,11,12-pentamethyl-3,7,11,17-tetra- azabicyclo[11.3.1]heptadeca-1(17),13,15-triene-κ^4^N^3,7,11,17^)rhodium(III) hexafluorphosphate","","- C18 H32 Cl2 F6 N4 P Rh -","- C18 H32 Cl2 F6 N4 P Rh -","- C36 H64 Cl4 F12 N8 P2 Rh2 -","2","1","OB6068","Blake, Alexander J.; Hyde, Timothy I.; Schröder, Martin","trans-Dichloro(meso-2,3,7,11,12-pentamethyl-3,7,11,17-tetraazabicyclo[11.3.1]heptadeca-1(17),13,15-triene-κ^4^N^3,7,11,17^)rhodium(III) hexafluorophosphate","Acta Crystallographica Section E","2001","57","10","m459","m461","10.1107/S1600536801014568","","","0.71073","MoKα","","0.0934","0.0649","","","","0.182","","","","","","0.996","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00","" "2200709","13.509","0.005","10.519","0.003","8.099","0.002","90","","101.54","0.015","90","","1127.6","0.6","293","","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","5-fluorocytosinium salicylate","","","- C11 H10 F N3 O4 -","- C11 H10 F N3 O4 -","- C44 H40 F4 N12 O16 -","4","1","OB6069","Prabakaran, P.; Murugesan, S.; Muthiah, P. Thomas; Bocelli, G.; Righi, L.","Intermolecular N‒H···O hydrogen-bonding interactions in 5-fluorocytosinium salicylate","Acta Crystallographica Section E","2001","57","10","o933","o936","10.1107/S1600536801014465","","","1.54178","CuKα","","0.0465","0.0342","","","","0.1026","","","","","","1.019","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00","" "2200710","8.4086","0.0004","11.2321","0.0006","18.7217","0.0007","90","","90","","90","","1768.19","0.14","123.2","","","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C6 H26 Co I3 N6 O -","- C6 H26 Co I3 N6 O -","- C24 H104 Co4 I12 N24 O4 -","4","1","OB6070","Ryo Matsuki; Shiro, Motoo; Asahi, Toru; Asai, Hiroshi","Absolute configuration of Λ-(+)~589~-tris(ethylenediamine)cobalt(III) triiodide monohydrate","Acta Crystallographica Section E","2001","57","10","m448","m450","10.1107/S1600536801015008","","","0.7107","MoKα","","","0.0229","","","","0.0662","","","","","","1.039","","","","has coordinates","176435","2020-10-21","18:00:00","" "2200711","7.9772","0.0002","13.5738","0.0002","8.2288","0.0002","90","","91.583","0.002","90","","890.68","0.03","203","2","203","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Dinitratodioxobis(4-picoline N-oxide)uranium(VI)","","- C12 H14 N4 O10 U -","- C12 H14 N4 O10 U -","- C24 H28 N8 O20 U2 -","2","0.5","OB6071","Rickard, Clifton E. F.","Dinitratodioxobis(4-picoline N-oxide)uranium(VI)","Acta Crystallographica Section E","2001","57","10","m446","m447","10.1107/S1600536801014805","","","0.71073","MoKα","","0.0267","0.0224","","","","0.0524","","","","","","1.236","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00","" "2200712","14.914","0.005","13.56","0.006","8.994","0.004","90","","122.75","0.02","90","","1529.8","1.1","296","2","296","2","","","","","","","","6","C 1 c 1","C -2yc","9","","trans-dichlorobis(1,4-butanediamine)cobalt(III) chloride monohydrate","","- C8 H26 Cl3 Co N4 O -","- C8 H26 Cl3 Co N4 O -","- C32 H104 Cl12 Co4 N16 O4 -","4","1","OB6072","Fujimoto, Kazuya; Nagata, Kiyonori; Suzuki, Honoh; Kanamori, Kan","trans-Bis(1,4-butanediamine)dichlorocobalt(III) chloride monohydrate","Acta Crystallographica Section E","2001","57","10","m467","m469","10.1107/S1600536801015227","","","0.71073","MoKα","","0.0372","0.0331","","","","0.0824","","","","","","1.05","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00","" "2200713","9.739","0.002","13.647","0.004","14.5479","0.0019","90","","107.79","0.013","90","","1841.1","0.7","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","trans-bis(isothiocyanato)bis(1,4-butanediamine)cobalt(III) thiocyanate","","- C11 H24 Co N7 S3 -","- C11 H24 Co N7 S3 -","- C44 H96 Co4 N28 S12 -","4","1","OB6073","Fujimoto, Kazuya; Nagata, Kiyonori; Suzuki, Honoh; Kanamori, Kan","trans-Bis(1,4-butanediamine)bis(isothiocyanato)cobalt(III) thiocyanate","Acta Crystallographica Section E","2001","57","10","m470","m471","10.1107/S1600536801015239","","","0.71073","MoKα","","0.0587","0.0333","","","","0.0939","","","","","","1.057","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00","" "2200714","7.065","0.001","15.148","0.003","11.113","0.002","90","","98.09","0.01","90","","1177.5","0.4","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H26 N2 Ni O12 -","- C20 H26 N2 Ni O12 -","- C40 H52 N4 Ni2 O24 -","2","0.5","OB6074","Liao, Ju-Hsiou; Su, Ching-Ting; Hsu, Che-Chih","catena-Poly[[[diaquabis[cis-2-methyl-but-2-enedioate(1‒)-O]nickel(II)]-μ-4,4'-bipyridine-N:N'] dihydrate]","Acta Crystallographica Section E","2001","57","11","m501","m503","10.1107/S1600536801015835","","","0.71073","MoKα","","0.0461","0.0292","","0.0637","","0.0583","","","","","","1.042","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00","" "2200715","8.411","0.002","8.819","0.002","14.886","0.004","84.684","0.006","82.425","0.006","68.439","0.006","1016.8","0.4","91","2","91","2","","","","","","","","4","P -1","-P 1","2","Nitrilotrisacetanilide","Nitrilotriacetanilide","","- C24 H24 N4 O3 -","- C24 H24 N4 O3 -","- C48 H48 N8 O6 -","2","1","OB6075","John M. Rowland; Gerardo J. Ibanez; Marilyn M. Olmstead; Michael Ruf; Pradip K. Mascharak","Nitrilotriacetanilide","Acta Crystallographica Section E","2001","57","11","o1001","o1003","10.1107/S1600536801015781","","","0.71073","MoKα","","0.087","0.067","","","","0.239","","","","","","1.234","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00","" "2200716","19.791","0.001","5.322","0.0003","10.974","0.001","90","","113.923","0.006","90","","1056.57","0.13","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","bis(β-Alanine) H+ nitrate","β-Alanine β-alaninium nitrate","","- C6 H15 N3 O7 -","- C6 H15 N3 O7 -","- C24 H60 N12 O28 -","4","0.5","OB6076","B. Sridhar; N. Srinivasan; R. K. Rajaram","Bis(β-alanine) hydrogen nitrate","Acta Crystallographica Section E","2001","57","11","o1004","o1006","10.1107/S1600536801015793","","","0.71073","MoKα","","0.04","0.0334","","","","0.0916","","","","","","1.093","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00","" "2200717","7.569","0.002","9.397","0.002","12.31","0.003","90","","92.62","0.02","90","","874.6","0.4","295","2","295","2","","","","","","","","3","P 1 21 1","P 2yb","4","ludongnin B","spiro[isobenzofuran-4 (1H),4'(3'H)-[1H-7,9a] methanocyclohepta[c]pyran]-1',3,9'(3aH,4'aH)-trione, octahydro-7a,8'-dimethyl","","- C20 H26 O5 -","- C20 H26 O5 -","- C40 H52 O10 -","2","1","OB6077","Shi, Hao; Pan, Yuan Jiang; Zhang, Xue Qin; Yu, Kai Bei","Octahydro-7a,8'-dimethylspiro[isobenzofuran-4(1H),4'(3'H)-[1H-7,9a]methanocyclohepta[c]pyran]-1',3,9'(3aH,4'aH)-trione","Acta Crystallographica Section E","2001","57","11","o1007","o1009","10.1107/S1600536801015847","","","0.71073","MoKα","","0.1146","0.0529","","","","0.1283","","","","","","0.872","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00","" "2200718","26.198","0.005","26.198","0.005","11.024","0.007","90","","90","","120","","6552","5","293","2","293","2","","","","","","","","5","R -3 :H","-R 3","148","","(R/S)-3-(3-Methyl-2-butylamino)-4H-pyrido[4,3-e]-1,2,4-thiadiazine 1,1-dioxide hydrate","","- C11 H18 N4 O3 S -","- C11 H18 N4 O3 S -","- C198 H324 N72 O54 S18 -","18","1","OB6078","Dupont, Léon; De Tullio, Pascal; Tinant, Bernard; Pirotte, Bernard","(R/S)-3-(3-Methyl-2-butylamino)-4H-pyrido[4,3-e]-1,2,4-thiadiazine 1,1-dioxide monohydrate","Acta Crystallographica Section E","2001","57","11","o1050","o1051","10.1107/S1600536801016622","","","1.5418","CuKα","","0.1055","0.0774","","","","0.2508","","","","","","1.052","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00","" "2200719","10.063","0.002","19.007","0.004","20.344","0.004","71.469","0.014","83.522","0.016","84.235","0.016","3657.2","1.3","160","2","160","2","","","","","","","","4","P -1","-P 1","2","","","","- C40 H40 B9 P -","- C40 H39 B9 P -","- C160 H156 B36 P4 -","4","2","OB6079","Rosair, Georgina M.; Schmidt, Falk H.; Welch, Alan J.","Tetraphenylphosphonium 7-phenylethynyl-8-phenyl-7,8-nido-dicarbadecahydroundecaborate(1‒)","Acta Crystallographica Section E","2001","57","12","o1168","o1170","10.1107/S160053680101902X","","","0.71073","MoKα","","0.2342","0.0867","","","","0.1809","","","","","","0.972","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00","" "2200720","7.366","0.002","9","0.002","21.456","0.002","90","","93.73","0.02","90","","1419.4","0.5","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","8-Hydroxyquinoline-5-sulfonic acid nickel(II)","[Tetraaqua(quinolinolato-N,O]-5-sulfonic nickel(II)]monohydrate","","- C9 H15 N Ni O9 S -","- C9 H15 N Ni O9 S -","- C36 H60 N4 Ni4 O36 S4 -","4","1","OB6080","Baskar Raj, Savarimuthu; Thomas Muthiah, Packianathan; Bocelli, Gabriele; Righi, Lara","Tetraaqua(8-hydroxyquinoline-5-sulfonato-N,O)nickel(II) monohydrate","Acta Crystallographica Section E","2001","57","12","m591","m594","10.1107/S1600536801017792","","","0.71069","MoKa","","0.0267","0.0228","","","","0.0624","","","","","","1.024","","","","has coordinates","176774","2020-10-21","18:00:00","" "2200721","7.23","0.006","63.045","0.005","5.041","0.004","90","","90","","90","","2298","3","296.2","","","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C23 H48 O2 -","- C23 H48 O2 -","- C92 H192 O8 -","4","1","OB6081","Nakamura, Naotake; Uno, Kenjiro; Ogawa, Yoshihiro","Tricosane-1,23-diol","Acta Crystallographica Section E","2001","57","11","o1091","o1093","10.1107/S1600536801017457","","","1.5418","CuKα","","","0.044","","","","0.192","","","","","","1.413","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00","" "2200722","7.521","0.0006","7.521","0.0006","25.2821","0.0013","90","","90","","120","","1238.5","0.15","297","","297","","","","","","","","","3","P 31","P 31","144","futoenone","(2R,4R,5S,5aR)-rel-(-)-4-(1,3-benzodioxol-5-yl)-2,3,4,5- tetrahydro-7-methoxy-5-methyl-8H-2,5a-methano-benzoepin-8-one","","- C20 H20 O5 -","- C20 H20 O5 -","- C60 H60 O15 -","3","1","OB6082","Song, Qi; Billodeaux, Damon R.; Fronczek, Frank R.; Fischer, Nikolaus H.","Futoenone, a neolignan from Magnolia soulangiana","Acta Crystallographica Section E","2001","57","11","o1094","o1095","10.1107/S1600536801017482","","","1.5418","CuKα","","0.033","0.033","","","","0.085","","","","","","1.102","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00","" "2200723","11.7436","0.0017","11.7436","0.0017","30.932","0.008","90","","90","","120","","3694.4","1.2","293","2","293","2","","","","","","","","7","R -3 :H","-R 3","148","","","","- C12 H23.1 Cl4 N6 O2.55 Ru Zn -","- C12 H23.1 Cl4 N6 O2.55 Ru Zn -","- C72 H138.6 Cl24 N36 O15.3 Ru6 Zn6 -","6","0.333333","OB6083","Anzellotti, Atilio; Briceño, Alexander","Hexakis(acetonitrile)ruthenium(II) tetrachlorozincate 2.55-hydrate","Acta Crystallographica Section E","2001","57","11","m538","m540","10.1107/S1600536801017469","","","0.71069","MoKα","","0.0893","0.0583","","","","0.1567","","","","","","1.021","","","","has coordinates","194389","2020-10-21","18:00:00","" "2200724","9.3436","0.0008","13.4554","0.0012","14.2888","0.0012","90","","94.748","0.002","90","","1790.3","0.3","298","2","298","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","3,5,8,19-Tetraaza-2,9,18-trione-[5^5,13^][11]metacyclophane monohydrate","","- C18 H26 N4 O4 -","- C18 H26 N4 O4 -","- C72 H104 N16 O16 -","4","1","OB6084","Kim, Tae Ho; Yang, Sun Young; Lee, Shim Sung; Kim, Jae Sang; Kim, Jineun","2,9,18-Trioxo-3,5,8,19-tetraaza-[5^5,13^][11]metaphane monohydrate","Acta Crystallographica Section E","2001","57","12","o1200","o1202","10.1107/S1600536801019183","","","0.71073","MoKα","","0.0786","0.0434","","","","0.1164","","","","","","1.012","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00","" "2200725","8.236","0.0007","9.5392","0.0007","11.9512","0.001","98.499","0.001","94.67","0.001","106.104","0.001","884.76","0.12","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","Quinolinium trichloroquinoline-zinc(II)","","- C18 H15 Cl3 N2 Zn -","- C18 H15 Cl3 N2 Zn -","- C36 H30 Cl6 N4 Zn2 -","2","1","OB6086","Wang, Wenguo; Zhang, Xiaofeng; Huang, Deguang; Zhu, Hongping; Chen, Changneng; Liu, Qiutian","Quinolinium trichloro(quinoline)zinc(II)","Acta Crystallographica Section E","2001","57","12","m561","m563","10.1107/S1600536801018414","","","0.71073","MoKα","","0.0708","0.0453","","","","0.1467","","","","","","0.913","","","","has coordinates,has Fobs","211196","2020-10-21","18:00:00","" "2200726","7.874","0.002","12.624","0.003","7.117","0.003","105.87","0.04","92.67","0.03","87.93","0.03","679.5","0.4","293","2","293","2","","","","","","","","6","P -1","-P 1","2","Cytosine Cadmium Dibromide","Bis-(4-amino-2(1H)-pyridinone)dibromocadmium(II)","","- C8 H10 Br2 Cd N6 O2 -","- C8 H10 Br2 Cd N6 O2 -","- C16 H20 Br4 Cd2 N12 O4 -","2","1","OB6087","Thomas Muthiah, Packianathan; Justin Robert, Jebamony; Baskar Raj, Savarimuthu; Bocelli, Gabriele; Rita Ollá","Metal‒nucleobase interaction: dibromobis(cytosine)cadmium(II)","Acta Crystallographica Section E","2001","57","12","m558","m560","10.1107/S1600536801018360","","","0.71075","MoKα","","0.061","0.061","","0.158","","0.158","","","","","","0.958","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00","" "2200727","15.6757","0.0012","10.4805","0.0008","7.5277","0.0006","90","","90","","90","","1236.72","0.17","83","2","83","2","","","","","","","","2","P b c n","-P 2n 2ab","60","styrene","styrene","","- C8 H8 -","- C8 H8 -","- C64 H64 -","8","1","OB6089","Nobuhiro Yasuda; Hidehiro Uekusa; Yuji Ohashi","Styrene at 83K","Acta Crystallographica Section E","2001","57","12","o1189","o1190","10.1107/S1600536801019237","","","0.71069","MoKα","","0.0433","0.0388","","","","0.0986","","","","","","1.038","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00","" "2200728","11.7627","0.0002","9.622","0.0002","18.7387","0.0003","90","","103.034","0.001","90","","2066.22","0.07","183","2","183","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","Erythro-2-(2,6-Dimethoxyphenoxy)-1-(3,4,5-trimethoxyphenyl)-1,3-propandiol","","","- C20 H26 O8 -","- C20 H26 O8 -","- C80 H104 O32 -","4","1","OB6090","Langer, Vratislav; Lundquist, Knut","erythro-2-(2,6-Dimethoxyphenoxy)-1-(3,4,5-trimethoxyphenyl)-1,3-propanediol","Acta Crystallographica Section E","2001","57","12","o1219","o1221","10.1107/S1600536801019390","","","0.71073","MoKα","","0.0617","0.0443","","","","0.1245","","","","","","1.027","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00","" "2200729","10.509","0.006","10.763","0.005","13.146","0.007","90","","107.26","0.04","90","","1420","1.3","193","2","193","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","N,N-dimethyl-N-{4-[(E)-(4-methyl-3-nitrophenyl)diazenyl]phenyl}amine","","- C15 H16 N4 O2 -","- C15 H16 N4 O2 -","- C60 H64 N16 O8 -","4","1","OB6093","Oleg Ya. Borbulevych; Mikhail Yu. Antipin","Redetermination of N,N-dimethyl-N-{4-[(E)-(4-methyl-3-nitrophenyl)diazenyl]phenyl}amine at 193 K: another example of dynamic disorder of substituted azobenzene compounds","Acta Crystallographica Section E","2001","57","12","o1250","o1251","10.1107/S1600536801020128","","","0.71073","MoKα","","0.1329","0.055","","","","0.1544","","","","","","0.867","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00","" "2200730","15.284","0.0004","13.9364","0.0004","6.0585","0.0002","90","","90","","90","","1290.48","0.07","223","2","223","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C12 H9 As O S3 -","- C12 H9 As O S3 -","- C48 H36 As4 O4 S12 -","4","0.5","OB6094","Mahalakshmi, H.; Jain, Vimal K.; Tiekink, Edward R. T.","Tri(2-thienyl)arsine oxide","Acta Crystallographica Section E","2001","57","12","o1222","o1223","10.1107/S160053680101978X","","","0.71069","MoKα","","0.036","0.035","","","","0.089","","","","","","1.09","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00","" "2200731","10.1697","0.0005","11.7231","0.0006","12.3281","0.0006","71.71","0.001","77.917","0.001","65.803","0.001","1267.36","0.11","223","2","223","2","","","","","","","","6","P -1","-P 1","2","","","","- C23 H43 Au N P S2 -","- C23 H43 Au N P S2 -","- C46 H86 Au2 N2 P2 S4 -","2","1","OB6095","Ho, Soo Yei; Tiekink, Edward R. T.","(N,N-Diethyldithiocarbamato)(tricyclohexylphosphine)gold(I)","Acta Crystallographica Section E","2001","57","12","m603","m604","10.1107/S1600536801019833","","","0.71069","MoKα","","0.044","0.042","","","","0.115","","","","","","1.05","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00","" "2200732","8.404","0.002","7.672","0.002","17.592","0.003","90","","102.62","0.019","90","","1106.8","0.4","296","","296","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C11 H15 N3 O2 -","- C11 H15 N3 O2 -","- C44 H60 N12 O8 -","4","1","OB6096","Hökelek, Tuncer; Zülfikaroğlu, Ayşin; Batı, Hümeyra","1-(2,6-Dimethylphenylamino)propane-1,2-dione dioxime","Acta Crystallographica Section E","2001","57","12","o1247","o1249","10.1107/S1600536801020104","","","0.71073","MoKα","","0.0734","0.056","","","","0.1891","","","","","","1.133","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00","" "2200733","14.609","0.002","8.4266","0.0012","6.9097","0.0008","90","","90","","90","","850.61","0.19","293","2","293","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C5 H6 N4 O7 -","- C5 H6 N4 O7 -","- C20 H24 N16 O28 -","4","1","OM6044","Gilardi, Richard D.; Butcher, Ray J.","2,5-Dinitro-7,9-dioxa-2,5-diazabicyclo[4.3.0]nonan-8-one","Acta Crystallographica Section E","2001","57","10","o913","o915","10.1107/S1600536801014131","","","0.71073","MoKα","","0.0672","0.0455","","","","0.1111","","","","","","1.037","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00","" "2200734","5.5459","0.0002","10.3058","0.0003","6.8702","0.0003","90","","100.131","0.002","90","","386.54","0.02","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","(Z)-2-nitroethenamine","(Z)-2-nitroethenamine","","- C2 H4 N2 O2 -","- C2 H4 N2 O2 -","- C8 H16 N8 O8 -","4","1","OM6046","Evans, Robin N.; Gilardi, Richard","(Z)-2-Nitroethenamine","Acta Crystallographica Section E","2001","57","10","o956","o958","10.1107/S1600536801015124","","","1.54178","CuKα","","0.0457","0.0441","","","","0.1192","","","","","","1.088","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00","" "2200735","3.982","0.002","3.982","0.002","6.445","0.003","90","","90","","120","","88.49","0.08","293","2","293","2","","","","","","","","3","P 63 m c","P 6c -2c","186","","","","- Fe0.05 Mn0.95 S -","- Fe0.05 Mn0.95 S -","- Fe0.1 Mn1.9 S2 -","2","0.166667","","Eriksson, Lars; Kalinowski, Mariusz P.","Mn~1-x~ Fe~x~ S, x ≃0.05, an example of the anti-wurtzite structure","Acta Crystallographica, Section E","2001","57","","i92","i93","10.1107/S1600536801016051","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00","" "2200736","16.1497","0.0014","8.6805","0.0007","35.047","0.003","90","","90","","90","","4913.2","0.7","203","2","203","2","","","","","","","","4","P c a 21","P 2c -2ac","29","(acenaphtylenide)2Ca.2THF","rac-[bis(3,3'-biacenaphthylenido)]bis(tetrahydrofuran-O)calcium","","- C32 H32 Ca O2 -","- C32 H32 Ca O2 -","- C256 H256 Ca8 O16 -","8","2","OM6048","Sinnema, Piet-Jan; Twamley, Brendan; Shapiro, Pamela J.","ansa-Calcocenes: rac-[bis(3,3'-biacenaphthylenido)]bis(tetrahydrofuran)calcium","Acta Crystallographica Section E","2001","57","10","m438","m440","10.1107/S1600536801014751","","","0.71073","MoKα","","0.091","0.054","","","","0.128","","","","","","1.01","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00","" "2200737","16.903","0.003","10.182","0.002","17.971","0.003","90","","104.9","0.01","90","","2988.9","0.9","293","2","20","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","1,1,1,3,3,3-Hexafluoro-2-(4-nitrophenyl)-N-phenylisopropylamine","","- C15 H10 F6 N2 O2 -","- C15 H10 F6 N2 O2 -","- C120 H80 F48 N16 O16 -","8","1","OM6049","Pavkovic, Stephen F.; Nelson, Derek W.; Owens, James R.","1,1,1,3,3,3-Hexafluoro-2-(4-nitrophenyl)-N-phenylisopropylamine","Acta Crystallographica Section E","2001","57","10","o941","o942","10.1107/S1600536801014763","","","0.7107","MoKα","","0.1632","0.0586","","","","0.1734","","","","","","0.983","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00","" "2200738","6.9184","0.0003","8.8703","0.0003","18.7337","0.0009","90","","95.444","0.003","90","","1144.47","0.08","173","","173","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C26 H28 B2 N2 O2 -","- C26 H28 B2 N2 O2 -","- C52 H56 B4 N4 O4 -","2","0.5","OM6050","Wolfgang Kliegel; Lutz Preu; Ulf Riebe; Brian O. Patrick; Steven J. Rettig; James Trotter","A BONBON 6-membered ring heterocycle","Acta Crystallographica Section E","2001","57","10","o943","o944","10.1107/S1600536801014866","","","0.7107","MoKα","","0.059","0.037","","0.118","","0.058","","","1.91","","","1.91","","","","has coordinates","176774","2020-10-21","18:00:00","" "2200739","6.914","0.001","6.299","0.001","24.933","0.004","90","","90.719","0.015","90","","1085.8","0.3","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Hexaaquanickel(II) bis(p-tolylsulfonate)","","- C14 H26 Ni O12 S2 -","- C14 H26 Ni O12 S2 -","- C28 H52 Ni2 O24 S4 -","2","0.5","OM6052","Batsanov, Andrei S.; Howard, Judith A. K.; Moore, Nichola S.; Kilner, Melvyn","Hexaaquanickel(II) bis(p-tolylsulfonate)","Acta Crystallographica Section E","2001","57","10","m485","m487","10.1107/S160053680101529X","","","0.71073","MoKα","","0.0761","0.0501","","","","0.1005","","","","","","1.191","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00","" "2200740","7.7561","0.0001","10.8931","0.0002","34.012","0.0006","90","","90","","90","","2873.6","0.08","120","","120","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","2-Propenyl 4-ferrocenyl-4-oxobutanoate","","- C17 H18 Fe O3 -","- C17 H18 Fe O3 -","- C136 H144 Fe8 O24 -","8","1","OM6053","Giraldés, José; McLaughlin, Mark L.; Fronczek, Frank R.","2-Propenyl 4-ferrocenyl-4-oxobutanoate","Acta Crystallographica Section E","2001","57","10","m426","m427","10.1107/S1600536801014659","","","0.71073","MoKα","","0.073","0.039","","","","0.091","","","","","","1.01","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00","" "2200741","11.6372","0.0003","10.4879","0.0005","9.9749","0.0004","90","","100.657","0.003","90","","1196.44","0.08","100","1","100","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2-(2-Cyclohex-1-enylvinyl)-[1,3,6,2]dioxazaborocane","","- C12 H20 B N O2 -","- C12 H20 B N O2 -","- C48 H80 B4 N4 O8 -","4","1","OM6054","Thadani, Avinash N.; Batey, Robert A.; Lough, Alan J.","2-(2-Cyclohex-1-enylvinyl)[1,3,6,2]dioxazaborocane","Acta Crystallographica Section E","2001","57","11","o1010","o1011","10.1107/S1600536801015136","","","0.71073","MoKα","","0.0566","0.04","","","","0.1022","","","","","","1.052","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00","" "2200742","11.756","0.0018","12.772","0.002","12.8527","0.0018","90","","91.82","0.012","90","","1928.8","0.5","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","3-(2'-Bromophenyl)-4-(tri-iso-propylsilyl)-sydnone","3-(2-Bromophenyl)-4-(triisopropylsilyl)sydnone","","- C17 H25 Br N2 O2 Si -","- C17 H25 Br N2 O2 Si -","- C68 H100 Br4 N8 O8 Si4 -","4","1","OM6056","Grossie, David A.; Turnbull, Kenneth; Krein, Douglas M.","3-(2-Bromophenyl)-4-(triisopropylsilyl)sydnone","Acta Crystallographica Section E","2001","57","10","o985","o987","10.1107/S160053680101563X","","","0.71069","MoKα","","0.1481","0.0422","","","","0.12","","","","","","0.755","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00","" "2200743","12.113","0.003","12.853","0.0016","13.0084","0.0014","85.113","0.011","69.29","0.012","66.945","0.013","1739.7","0.6","213","2","213","2","","","","","","","","5","P -1","-P 1","2","","Tetrakis(triphenylphosphine)-bis(μ-tricyanomethanido)dicopper(I)","","- C80 H60 Cu2 N6 P4 -","- C80 H60 Cu2 N6 P4 -","- C80 H60 Cu2 N6 P4 -","1","0.5","OM6057","Karl E. Bessler; Leandro A. de P. Calzavara; Victor M. Deflon; Elke Niquet","Bis(μ-tricyanomethanido)tetrakis(triphenylphosphine)dicopper(I)","Acta Crystallographica Section E","2001","57","11","m522","m523","10.1107/S1600536801016373","","","1.54184","CuKα","","0.0531","0.0521","","","","0.1523","","","","","","1.096","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00","" "2200744","9.1739","0.0003","22.1696","0.0007","9.4404","0.0003","90","","104.592","0.001","90","","1858.07","0.1","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Di-μ-chloro-bis{chloro[1,2-diphenyl-2-(phenylamino)ethanoximato]copper(II)}","","- C40 H36 Cl4 Cu2 N4 O2 -","- C40 H36 Cl4 Cu2 N4 O2 -","- C80 H72 Cl8 Cu4 N8 O4 -","2","0.5","OM6058","Puschmann, Horst; Batsanov, Andrei S.; Howard, Judith A.K.; Soto, Bernardino; Bonne, Raul; Au-Alvarez, Oscar","Di-μ-chloro-bis{chloro[1,2-diphenyl-2-(phenylamino)ethanoximato]copper(II)}","Acta Crystallographica Section E","2001","57","11","m524","m526","10.1107/S1600536801016890","","","0.71073","MoKα","","0.0318","0.0266","","","","0.0625","","","","","","1.069","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00","" "2200745","7.0429","0.0005","7.0429","0.0005","10.0166","0.0007","90","","90","","120","","430.28","0.05","293","2","293","2","","","","","","","Synthetic","3","P 31 2 1","P 31 2""","152","Schuetteite","Trimercury(II) dioxide sulfate(VI)","Schuetteite","- Hg3 O6 S -","- Hg3 O6 S -","- Hg9 O18 S3 -","3","0.5","OM6059","Weil, Matthias","Schuetteite, Hg~3~(SO~4~)O~2~, a re-investigation","Acta Crystallographica Section E","2001","57","11","i98","i100","10.1107/S1600536801017561","","","0.71073","MoKα","","0.0237","0.0212","","","","0.0512","","","","","","1.039","","","","has coordinates,has Fobs","282068","2023-03-26","10:12:33","" "2200746","13.575","0.0008","7.957","0.0004","11.0684","0.0006","90","","93.436","0.001","90","","1193.42","0.11","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C7 H10 N6 O8 -","- C7 H10 N6 O8 -","- C28 H40 N24 O32 -","4","1","OM6062","Gilardi, Richard D.; Axenrod, Theodore; Sun, Jianguang; Flippen-Anderson, Judith L.","1,3,5,7-tetranitro-3,7-diazabicyclo[3.3.1]nonane","Acta Crystallographica Section E","2001","57","11","o1107","o1108","10.1107/S1600536801017780","","","0.71073","MoKα","","0.069","0.0563","","","","0.1472","","","","","","1.095","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00","" "2200747","11.9782","0.0002","9.9382","0.0001","30.5174","0.0004","90","","100.812","0.001","90","","3568.35","0.08","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C15 H28 N4 O4 -","- C15 H28 N4 O4 -","- C120 H224 N32 O32 -","8","2","OM6063","Flippen-Anderson, Judith L.; Axenrod, Theodore; Sun, Jianguang; Gilardi, Richard D.","3,7-Di-tert-butyl-1,5-dinitro-3,7-diazabicyclo[3.3.1]nonane","Acta Crystallographica Section E","2001","57","11","o1128","o1129","10.1107/S1600536801018153","","","1.54178","CuKα","","0.072","0.064","","","","0.195","","","","","","1.105","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00","" "2200748","7.3586","0.0007","11.9176","0.0011","12.4369","0.0013","90","","90","","90","","1090.68","0.18","213","2","213","2","","","","","","","","5","C c c m","-C 2 2c","66","","cobaltocenium tetrafluoroborate","","- C10 H10 B Co F4 -","- C10 H10 B Co F4 -","- C40 H40 B4 Co4 F16 -","4","0.25","OM6064","Cotton, F. Albert; Daniels, Lee M.; Wilkinson, Chad C.","A highly disordered cobaltocenium salt","Acta Crystallographica Section E","2001","57","11","m529","m530","10.1107/S1600536801017172","","","0.71073","MoKα","","0.0395","0.0284","","","","0.084","","","","","","1.093","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00","" "2200749","17.8678","0.0017","6.7905","0.0018","16.382","0.002","90","","120.114","0.01","90","","1719.4","0.6","100","","100","","","","","","","","","3","C 1 2 1","C 2y","5","Denudatin A","(2S,3R,3aR)-2-(1,3-benzodioxol-5-yl)-3,3a-dihydro-3a-methoxy-3- methyl-5-(2-propenyl)-6(2H)-benzofuranone","","- C20 H20 O5 -","- C20 H20 O5 -","- C80 H80 O20 -","4","1","OM6065","Song, Qi; Fronczek, Frank R.; Fischer, Nikolaus H.","Denudatin A, a neolignan from Magnolia soulangiana","Acta Crystallographica Section E","2001","57","11","o1105","o1106","10.1107/S1600536801017779","","","0.71073","MoKα","","0.108","0.061","","","","0.166","","","","","","1.041","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00","" "2200750","26.8737","0.001","14.6191","0.0006","10.1557","0.0004","90","","110.323","0.001","90","","3741.5","0.3","294","2","294","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C15 H31 I N2 O -","- C15 H31 I N2 O -","- C120 H248 I8 N16 O8 -","8","1","OM6066","Flippen-Anderson, Judith L.; Axenrod, Theodore; Qi, Lida; Gilardi, Richard D.","1,5-Di-tert-butyl-3-hydroxy-7-methylene-1-azonia-5-azacyclooctane iodide","Acta Crystallographica Section E","2001","57","12","o1147","o1148","10.1107/S1600536801018190","","","0.71073","MoKα","","0.059","0.044","","","","0.117","","","","","","1.021","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00","" "2200751","24.2121","0.0016","5.3063","0.0004","19.7644","0.0012","90","","118.023","0.001","90","","2241.6","0.3","294","2","294","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C10 H18 N2 O4 -","- C10 H18 N2 O4 -","- C80 H144 N16 O32 -","8","1","OM6067","Gilardi, Richard D.; Axenrod, Theodore; Sun, Jianguang; Flippen-Anderson, Judith L.","5,5-Dihydroxy-1,3-dipropionyl-1,3-diazacyclohexane","Acta Crystallographica Section E","2001","57","12","o1183","o1184","10.1107/S1600536801019006","","","0.71073","MoKα","","0.0884","0.0656","","","","0.1346","","","","","","1.237","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00","" "2200752","17.956","0.0002","9.7885","0.0001","18.2898","0.0001","90","","108.507","0.001","90","","3048.41","0.05","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C12 H18 N4 O8 -","- C12 H18 N4 O8 -","- C96 H144 N32 O64 -","8","2","OM6068","Gilardi, Richard D.; Axenrod, Theodore; Guan, Xiao-Pei; Flippen-Anderson, Judith L.","1,5-Diacetyl-7,7-dinitro-1,5-diazacyclooctan-3-one ethylene acetal","Acta Crystallographica Section E","2001","57","12","o1185","o1186","10.1107/S1600536801019018","","","1.54178","CuKα","","0.0445","0.0404","","","","0.1134","","","","","","1.05","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00","" "2200753","20.642","0.0006","11.5573","0.0004","17.7307","0.0005","90","","104.666","0.001","90","","4092.1","0.2","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","Di-μ-chloro-bis{chloro[1,2-diphenyl-2-(4-chlorophenylamino)ethanoximato]- copper(II)}","","- C40 H34 Cl6 Cu2 N4 O2 -","- C40 H34 Cl6 Cu2 N4 O2 -","- C160 H136 Cl24 Cu8 N16 O8 -","4","0.5","OM6069","Puschmann, Horst; Batsanov, Andrei S.; Howard, Judith A. K.; Soto, Bernardino; Bonne, Raul; Au-Alvarez, Oscar","Di-μ-chloro-bis{chloro[1,2-diphenyl-2-(4-chlorophenylamino)ethanoximato]copper(II)}","Acta Crystallographica Section E","2001","57","11","m551","m552","10.1107/S1600536801018050","","","0.71073","MoKα","","0.0254","0.023","","","","0.0634","","","","","","1.055","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00","" "2200754","14.8811","0.0005","12.9287","0.0004","21.7718","0.0006","90","","101.569","0.001","90","","4103.6","0.2","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C42 H40 Cl4 Cu2 N4 O2 -","- C42 H40 Cl4 Cu2 N4 O2 -","- C168 H160 Cl16 Cu8 N16 O8 -","4","1","OM6070","Puschmann, Horst; Howard, Judith A. K.; Soto, Bernardino; Bonne, Raul; Au-Alvarez, Oscar","Di-μ-chloro-bis{chloro[2-(4-methylphenylamino)-1,2-diphenylethanoximato]copper(II)}","Acta Crystallographica Section E","2001","57","12","m581","m583","10.1107/S1600536801019092","","","0.71073","MoKα","","0.0854","0.0416","","","","0.0981","","","","","","1.015","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00","" "2200755","14.2861","0.0004","11.8522","0.0004","17.2215","0.0006","90","","90","","90","","2915.97","0.16","173","2","173","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C26 H26 Mo2 N8 O7 -","- C26 H26 Mo2 N8 O7 -","- C104 H104 Mo8 N32 O28 -","4","0.5","TK6034","Guo, ShengLi; Wagner, Matthias; Bolte, Michael","Bis(μ-1-acetimido-4-phenylpyrazolone-N^2^:O)-μ-oxo-tetraoxodimolybdenum(VI) as its diacetonitrile adduct: a novel dinuclear molybdenum complex bridged by a 1-acetimido-4-phenylpyrazolone ligand","Acta Crystallographica Section E","2001","57","10","m428","m430","10.1107/S1600536801014428","","","0.71073","MoKα","","0.037","0.032","","","","0.088","","","","","","1.05","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00","" "2200756","9.431","0.002","10.307","0.002","8.291","0.001","110.29","0.01","113.75","0.01","67.1","0.02","662","0.2","296","","","","","","","","","","","3","P -1","-P 1","2","","","","- C7 H6 O4 -","- C7 H6 O4 -","- C28 H24 O16 -","4","2","TK6035","Okabe, Nobuo; Kyoyama, Hasuyo","2,3-Dihydroxybenzoic acid","Acta Crystallographica Section E","2001","57","12","o1224","o1226","10.1107/S1600536801018682","","","0.7107","MoKα","","","0.044","","","","0.175","","","","","","1.07","","","","has coordinates","201973","2020-10-21","18:00:00","" "2200757","14.0385","0.0002","19.1269","0.0002","13.8322","0.0001","90","","90.728","0.001","90","","3713.83","0.07","203","2","203","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C44 H35 Mo N O3 P2 -","- C44 H35 Mo N O3 P2 -","- C176 H140 Mo4 N4 O12 P8 -","4","1","TK6037","Evans, Cameron; Nicholson, Brian K.; Oliver, Allen G.","Bis(triphenylphosphine)iminium tricarbonylcyclopentadienylmolybdate","Acta Crystallographica Section E","2001","57","11","m504","m505","10.1107/S1600536801016178","","","0.71073","MoKα","","0.052","0.037","","","","0.09","","","","","","1.08","","","","has coordinates","176774","2020-10-21","18:00:00","" "2200758","7.868","0.004","8.489","0.004","12.281","0.006","104.38","0.01","92.3","0.01","110.07","0.01","739.2","0.6","168","2","168","2","","","","","","","","4","P -1","-P 1","2","","Ethyl 6-nitro-2-phenylaminoimidazo[1,2-a]pyridine-3-carboxylate","","- C16 H14 N4 O4 -","- C16 H14 N4 O4 -","- C32 H28 N8 O8 -","2","1","TK6038","David W Jeffery; Rolf H Prager; Max R Taylor","Ethyl 6-nitro-2-phenylaminoimidazo[1,2-a]pyridine-3-carboxylate","Acta Crystallographica Section E","2001","57","10","o980","o982","10.1107/S1600536801015574","","","0.71073","MoKα","","0.086","0.052","","0.095","","0.088","","","1.01","","","1.11","","","","has coordinates","201973","2020-10-21","18:00:00","" "2200759","16.825","0.001","13.55","0.001","8.173","0.001","90","","95.02","0.01","90","","1856.1","0.3","123","2","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C21 H25 N O4 -","- C21 H25 N O4 -","- C84 H100 N4 O16 -","4","1","TK6039","Fallon, Gary D.; Ventrice, Tina; Jackson, W. Roy; Campi, Eva M.; Patti, Antonio F.","12-Benzoyl-2,3,5,6,9,10,11,12-octahydro-8H-1,4,7,12-benzotrioxaazacyclotetradecine","Acta Crystallographica Section E","2001","57","10","o983","o984","10.1107/S1600536801015586","","","0.71073","MoKα","","","0.05","","","","0.114","","","","","","1.04","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00","" "2200760","14.461","0.003","15.863","0.003","19.166","0.003","90","","108.98","0.02","90","","4157.5","1.4","295","2","295","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Diphenic acid‒acridine(1/1)","Diphenic acid‒acridine (1/1)","","- C54 H38 N2 O8 -","- C54 H38 N2 O8 -","- C216 H152 N8 O32 -","4","1","TK6040","Shaameri, Zurina; Shan, Ning; Jones, William","Diphenic acid‒acridine (1/1)","Acta Crystallographica Section E","2001","57","11","o1075","o1077","10.1107/S160053680101618X","","","0.71073","MoKα","","0.198","0.064","","","","0.211","","","","","","1.01","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00","" "2200761","7.2233","0.0019","10.354","0.003","18.825","0.002","90","","91.334","0.019","90","","1407.5","0.6","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","alloevodionol methyl ether","1-(5,7-dimethoxy-2,2-dimethyl-2H-1-benzopyran-8-yl)-ethanone","","- C15 H18 O4 -","- C15 H18 O4 -","- C60 H72 O16 -","4","1","TK6041","Graham Smith; Ertong Wang; John P. Bartley; Raymond C. Bott","Alloevodionol methyl ether","Acta Crystallographica Section E","2001","57","11","o1111","o1112","10.1107/S160053680101786X","","","0.71069","MoKα","","0.1645","0.063","","","","0.2243","","","","","","1.389","","","","has coordinates","201973","2020-10-21","18:00:00","" "2200762","11.166","0.001","11.409","0.001","11.724","0.001","107.63","0.01","110.44","0.01","96.68","0.01","1291.9","0.3","123","2","","","","","","","","","","5","P -1","-P 1","2","","","","- C68 H50 N4 O2 Sn -","- C68 H50 N4 O2 Sn -","- C68 H50 N4 O2 Sn -","1","0.5","TK6042","Fallon, Gary D.; Lee, Marcia A.-P.; Langford, Steven J.","Bis(2-naphthoxy)[5,10,15,20-tetra-p-tolylporphyrinato]tin(IV)","Acta Crystallographica Section E","2001","57","12","m564","m565","10.1107/S1600536801017214","","","0.71073","MoKα","","","0.027","","","","0.067","","","","","","1.03","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00","" "2200763","14.9106","0.001","8.9361","0.0006","30.252","0.002","90","","102.074","0.009","90","","3941.7","0.5","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C18 H24 B4 F4 Mo O2 -","- C18 H24 B4 F4 Mo O2 -","- C144 H192 B32 F32 Mo8 O16 -","8","2","WN6036","Anderson, Kirsty M.; Kündig, E. Peter; Norman, Nicholas C.; Orpen, A. Guy; Pardoe, Jennifer A.J.; Smith, David W.; Timms, Peter L.","Dicarbonylbis(1,4-difluoro-2,3,5,6-tetramethyl-1,4-diboracyclohexa-2,5-diene)molybdenum","Acta Crystallographica Section E","2001","57","10","m419","m420","10.1107/S1600536801014167","","","0.71073","MoKα","","0.0318","0.0231","","","","0.0526","","","","","","0.977","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00","" "2200764","9.432","0.002","20.957","0.005","14.728","0.003","90","","98.899","0.009","90","","2876.2","1.1","173","2","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","tris(2,4-pentadionato)(1,10-phenanthroline)samarium(III)","","- C27 H29 N2 O6 Sm -","- C27 H29 N2 O6 Sm -","- C108 H116 N8 O24 Sm4 -","4","1","WN6044","Urs, Usha K.; Shalini, K.; Cameron, T. S.; Shivashankar, S. A.; Guru Row, T. N.","Low-temperature structure of a twinned crystal of tris(2,4-pentanedionato)(1,10-phenanthroline)samarium(III)","Acta Crystallographica Section E","2001","57","10","m457","m458","10.1107/S1600536801014398","","","0.71069","MoKα","","","0.0729","","","","0.2006","","","","","","1.323","","","","has coordinates,has Fobs","176428","2020-10-21","18:00:00","" "2200765","11.709","0.005","14.551","0.004","17.558","0.006","90","","107.38","0.03","90","","2854.9","1.8","220","2","220","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","[1,2-Bis(diphenylphosphino)ethane]dibromonickel(II) tetrahydrofuran solvate","","- C30 H32 Br2 Ni O P2 -","- C30 H32 Br2 Ni O P2 -","- C120 H128 Br8 Ni4 O4 P8 -","4","1","WN6045","Sophie Beaudoin; Davit Zargarian; Francine Bélanger-Gariépy; Frédéric-Georges Fontaine","[1,2-Bis(diphenylphosphino)ethane]dibromonickel(II) tetrahydrofuran solvate","Acta Crystallographica Section E","2001","57","10","m433","m434","10.1107/S1600536801014581","","","1.54056","CuKα1","","0.0578","0.0516","","0.1419","","0.138","","","1.016","","","1.079","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00","" "2200766","7.6427","0.0014","11.035","0.002","37.95","0.005","90","","90","","90","","3200.6","0.9","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","(2SR,4RS)-(4-Iodo-5,5-dimethyl-2-hexylsulfonyl)benzene","","- C14 H21 I O2 S -","- C14 H21 I O2 S -","- C112 H168 I8 O16 S8 -","8","1","WN6046","Guido J. Reiß; Marek Masnyk","(2SR,4RS)-(4-Iodo-5,5-dimethyl-2-hexylsulfonyl)benzene","Acta Crystallographica Section E","2001","57","10","o959","o960","10.1107/S1600536801015069","","","0.71073","MoKα","","0.0722","0.0374","","","","0.0686","","","","","","1.01","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00","" "2200767","6.1329","0.0008","14.3524","0.0013","9.4381","0.001","90","","103.919","0.009","90","","806.37","0.16","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","(2R,4R)-(4-Iodo-5,5-dimethyl-2-hexylsulfonyl)benzene","","- C14 H21 I O2 S -","- C14 H21 I O2 S -","- C28 H42 I2 O4 S2 -","2","1","WN6047","Guido J. Reiß; Marek Masnyk","(2R,4R)-(4-Iodo-5,5-dimethyl-2-hexylsulfonyl)benzene","Acta Crystallographica Section E","2001","57","10","o961","o963","10.1107/S1600536801015070","","","0.71073","MoKα","","0.046","0.035","","","","0.0656","","","","","","1.067","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00","" "2200768","9.9226","0.0005","10.8473","0.0007","13.3665","0.0007","90","","106.578","0.003","90","","1378.88","0.14","150","2","150","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","Quinoline","Quinoline","","- C9 H7 N -","- C9 H7 N -","- C72 H56 N8 -","8","2","WN6048","Davies, John E.; Bond, Andrew D.","Quinoline","Acta Crystallographica Section E","2001","57","10","o947","o949","10.1107/S1600536801014891","","","0.7107","MoKα","","0.0636","0.0448","","","","0.1239","","","","","","1.039","","","","has coordinates","201973","2020-10-21","18:00:00","" "2200769","12.57","0.002","14.285","0.003","17.502","0.004","85.082","0.01","69.225","0.012","87.07","0.02","2926.8","1","160","2","160","2","","","","","","","","6","P -1","-P 1","2","","Aqua{5,15-bis[4-(2-trimethylsilylacetylene)phenyl]-2,8,12,18-tetrakis(2- methoxycarbonylethyl)-3,7,13,17-tetramethyl-10,20-dioxoporphyrinato}zinc(II)","","- C62 H68 N4 O11 Si2 Zn -","- C62 H68 N4 O11 Si2 Zn -","- C124 H136 N8 O22 Si4 Zn2 -","2","1","WN6049","Bond, Andrew D.; Feeder, Neil; Teat, Simon J.; Clyde-Watson, Zoe; Bampos, Nick; Sanders, Jeremy K. M.","Aqua{5,15-bis[4-(2-trimethylsilylacetylene)phenyl]-2,8,12,18-tetrakis(2-methoxycarbonylethyl)-3,7,13,17-tetramethyl-10,20-dioxoporphyrinato}zinc(II)","Acta Crystallographica Section E","2001","57","10","m454","m456","10.1107/S1600536801014854","","","0.6879","synchrotron","","0.0756","0.0539","","","","0.1354","","","","","","0.915","","","","has coordinates,has disorder","176774","2020-10-21","18:00:00","" "2200770","11.0977","0.0002","23.7744","0.0002","17.1024","0.0001","90","","94.347","0.001","90","","4499.34","0.09","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C45 H38 Br2 Cu2 N10 O4 -","- C45 H38 Br2 Cu2 N10 O4 -","- C180 H152 Br8 Cu8 N40 O16 -","4","1","WN6050","Guido Kickelbick","The unexpected fixation of CO~2~ employing a Cu^I^Br(bpy)~2~ complex","Acta Crystallographica Section E","2001","57","10","m475","m477","10.1107/S1600536801015276","","","0.71073","MoKα","","0.0577","0.0473","","","","0.1098","","","","","","1.173","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00","" "2200771","7.6547","0.0001","19.1163","0.0002","10.8285","0.0001","90","","106.041","0.001","90","","1522.83","0.03","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Diaquabis(nicotinamide)bis(o-sulfobenzimidato-N)cadmium(II)","","- C26 H24 Cd N6 O10 S2 -","- C26 H24 Cd N6 O10 S2 -","- C52 H48 Cd2 N12 O20 S4 -","2","0.5","WN6051","C̨akir, Semiha; Naumov, Panče; Bulut, İclal; Bic̨er, Ender; C̨akir, Osman; Jovanovski, Gligor; Ibrahim Abdul Razak; Chantrapromma, Suchada; Fun, Hoong-Kun; Ng, Seik Weng","Diaquabis(nicotinamide)bis(o-sulfobenzimidato-N)cadmium(II)","Acta Crystallographica Section E","2001","57","10","m431","m432","10.1107/S1600536801014453","","","0.71073","MoKα","","0.0455","0.0372","","","","0.0958","","","","","","0.985","","","","has coordinates","176774","2020-10-21","18:00:00","" "2200772","5.8955","0.001","5.8955","0.001","9.599","0.001","90","","90","","120","","288.93","0.08","290","","","","","","","","","","","4","P 63 m c","P 6c -2c","186","","","","- F6 H8 N2 Si -","- F6 H8 N2 Si -","- F12 H16 N4 Si2 -","2","0.166667","WN6052","Fábry, Jan; Chval, Jindřich; Petříček, Vaclav","A new modification of diammonium hexafluorosilicate, (NH~4~)~2~SiF~6~","Acta Crystallographica Section E","2001","57","10","i90","i91","10.1107/S160053680101501X","","","0.71069","MoKα","","0.0192","0.0178","","","","0.0221","","","","","","1.7","","","","has coordinates","176435","2020-10-21","18:00:00","" "2200773","26.519","0.004","5.1011","0.0009","12.143","0.002","90","","110.019","0.004","90","","1543.4","0.4","160","2","160","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Diaquabis(4-nitrobenzoato)zinc(II)","","- C14 H12 N2 O10 Zn -","- C14 H12 N2 O10 Zn -","- C56 H48 N8 O40 Zn4 -","4","0.5","WN6053","Necefoglu, Hacali; Clegg, William; Scott, Andrew J.","Diaquabis(4-nitrobenzoato)zinc(II): a redetermination","Acta Crystallographica Section E","2001","57","10","m472","m474","10.1107/S1600536801015082","","","0.71073","MoKα","","0.0286","0.0282","","","","0.0738","","","","","","1.091","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00","" "2200774","12.584","0.003","10.083","0.002","13.956","0.003","90","","102.57","0.03","90","","1728.4","0.7","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C23 H18 O3 -","- C23 H18 O3 -","- C92 H72 O12 -","4","2","WN6054","Cai, Yue-Peng; Tan, Duan-Min; Liao, Miao-Fen; Su, Cheng-Yong; Xu, Zun-Le; Kang, Bei-Sheng","1-Oxo-13c-propoxy-1,13c-dihydrodibenzo[a,kl]xanthene","Acta Crystallographica Section E","2001","57","11","o1014","o1015","10.1107/S1600536801016087","","","0.71073","MoKα","","0.0751","0.0441","","","","0.097","","","","","","1.051","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00","" "2200775","7.324","0.006","7.342","0.009","15.559","0.01","77.95","0.01","86.43","0.01","78.09","0.01","800.4","1.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C12 H21 Cl2 N3 O4 -","- C12 H21 Cl2 N3 O4 -","- C24 H42 Cl4 N6 O8 -","2","1","WN6055","John Burgess; John Fawcett; Simon A. Parsons","3-Hydroxy-1-(3-imidazolylpropyl)-2-methyl-4-pyridinone dihydrochloride dihydrate","Acta Crystallographica Section E","2001","57","11","o1016","o1018","10.1107/S1600536801016130","","","0.71073","MoKα","","0.1506","0.0621","","","","0.1514","","","","","","1.002","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00","" "2200776","10.782","0.0003","19.6026","0.0004","22.5181","0.0007","90","","90","","90","","4759.3","0.2","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","asco8-m","Diastereomer 8 of desoxazolin-ascidiacyclamide derivatives cyclo(-Ile-D-allo-MsThr-D-Val-Thz-Ile-D-allo-MsThr-D-Val-Thz-) Ms=methoxysufonyl","","- C38 H60 N8 O12 S4 -","- C38 H60 N8 O12 S4 -","- C152 H240 N32 O48 S16 -","4","1","WN6056","Mitsunobu Doi; Akiko Asano; Yoshihide Usami; Yoshio Katsuya; Masamichi Nakai; Masahiro Sasaki; Taizo Taniguchi; Hiroshi Hasegawa","A folded conformation of an ascidiacyclamide derivative: 3-methoxysulfoxide-(2R,3R)-threoninyl desoxazoline-ascidiacyclamide","Acta Crystallographica Section E","2001","57","11","o1019","o1021","10.1107/S1600536801016129","","","0.836","synchrotron","","0.0783","0.075","","","","0.2014","","","","","","1.047","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00","" "2200777","14.522","0.001","10.439","0.001","10.523","0.001","90","","109.46","0.004","90","","1504.1","0.2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","N-methyl-N-(4-nitro-2-phenoxyphenyl)methanesulfonamide","","- C14 H14 N2 O5 S -","- C14 H14 N2 O5 S -","- C56 H56 N8 O20 S4 -","4","1","WN6057","Michaux, Catherine; Charlier, Caroline; Julémont, Fabien; Norberg, Bernadette; Dogné Jean-Michel; Durant, François","FJ6, N-methyl-N-(4-nitro-2-phenoxyphenyl)methanesulfonamide","Acta Crystallographica Section E","2001","57","11","o1012","o1013","10.1107/S1600536801015823","","","1.54178","CuKα","","0.044","0.0413","","","","0.1176","","","","","","1.049","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00","" "2200778","32.0245","0.0014","7.1329","0.0003","14.6141","0.0006","90","","116.864","0.001","90","","2978","0.2","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","Dichlorobis(3,4,5,6-tetrahydropyrimidinium-2-thiolato-S)cobalt(II)","","- C8 H16 Cl2 Co N4 S2 -","- C8 H16 Cl2 Co N4 S2 -","- C64 H128 Cl16 Co8 N32 S16 -","8","1","WN6058","Ibrahim Abdul Razak; Anwar Usman; Hoong-Kun Fun; Bohari M. Yamin; Goh Wooi Keat","Dichlorobis(3,4,5,6-tetrahydropyrimidinium-2-thiolato-S)cobalt(II)","Acta Crystallographica Section E","2001","57","11","m527","m528","10.1107/S1600536801016828","","","0.71073","MoKα","","0.0687","0.0507","","","","0.1416","","","","","","0.984","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00","" "2200779","10.113","0.0004","8.9101","0.0002","15.6434","0.0007","90","","96.855","0.0017","90","","1399.52","0.09","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","6-(2-Thienyl)-9-(2-phenylethyl)-9H-purine","","- C16 H12 N4 S -","- C16 H12 N4 S -","- C64 H48 N16 S4 -","4","1","WN6059","Mazumdar, Pooja Anjali; Das, Amit Kumar; Bakkestuen, Ann Kristin; Gundersen, Lise-Lotte; Bertolasi, Valerio","9-(2-Phenylethyl)-6-(2-thienyl)-9H-purine","Acta Crystallographica Section E","2001","57","11","o1052","o1054","10.1107/S1600536801016907","","","0.7107","MoKα","","0.062","0.047","","","","0.1303","","","","","","1.089","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00","" "2200780","30.1055","0.0018","7.5383","0.0011","13.8612","0.0014","90","","90.338","0.004","90","","3145.7","0.6","200","2","200","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","2-[3-(4-Chlorophenyl)pyrazol-5-yl]-1-(2-hydroxy-4-methoxyphenyl)ethanone","","- C18 H15 Cl N2 O3 -","- C18 H15 Cl N2 O3 -","- C144 H120 Cl8 N16 O24 -","8","1","WN6060","Errington, William; Kumar, Rajesh; Kumar, Naresh; Parmar, Virinder S.; Roy, Sucharita","2-[3-(4-Chlorophenyl)pyrazol-5-yl]-1-(2-hydroxy-4-methoxyphenyl)ethanone","Acta Crystallographica Section E","2001","57","11","o1084","o1086","10.1107/S1600536801017421","","","0.71073","MoKα","","0.073","0.042","","","","0.1052","","","","","","0.913","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00","" "2200781","20.626","0.004","10.099","0.002","17.183","0.003","90","","90","","90","","3579.3","1.2","293","2","293","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C32 H56 B9 N -","- C32 H56 B9 N -","- C128 H224 B36 N4 -","4","1","WN6061","Rosair, Georgina M.; Schmidt, Falk H.; Welch, Alan J.","Tetra-n-butylammonium 7-phenylethynyl-8-phenyl-7,8-nido-dicarbadecahydroundecaborate(1{-})","Acta Crystallographica Section E","2001","57","12","o1171","o1172","10.1107/S1600536801018888","","","0.71073","MoKα","","0.2212","0.1015","","","","0.3023","","","","","","1.015","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00","" "2200782","5.904","0.003","13.519","0.006","7.883","0.006","90","","90.26","0.06","90","","629.2","0.6","150","2","150","2","","","","","","","Synthetic","4","P 1 21/n 1","-P 2yn","14","zinc(II) sulfate tetrahydrate","zinc(II) sulfate tetrahydrate","Boyleite","- H16 O16 S2 Zn2 -","- H16 O16 S2 Zn2 -","- H32 O32 S4 Zn4 -","2","0.5","WN6062","Blake, Alexander J.; Cooke, Paul A.; Hubberstey, Peter; Sampson, Claire L.","Zinc(II) sulfate tetrahydrate","Acta Crystallographica Section E","2001","57","12","i109","i111","10.1107/S1600536801017998","","","0.71073","MoKα","","0.094","0.059","","","","0.157","","","","","","1.077","","","","has coordinates,has Fobs","282068","2023-03-26","10:12:33","" "2200783","10.8877","0.0002","24.1232","0.0004","16.7066","0.0002","90","","95.772","0.001","90","","4365.68","0.12","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C48.5 H45 Cu P2 S2 -","- C48.5 H45 Cu P2 S2 -","- C194 H180 Cu4 P8 S8 -","4","1","WN6063","Theivanayagam C Deivaraj; Jagadese J. Vittal","Bis(dithioacetato-κ^2^S)bis(triphenylphosphine-κP)copper(I) 1.5-toluene solvate","Acta Crystallographica Section E","2001","57","12","m566","m567","10.1107/S1600536801018281","","","0.71073","MoKα","","0.091","0.0642","","","","0.1605","","","","","","1.102","","","","has coordinates,has disorder,has Fobs","176435","2020-10-21","18:00:00","" "2200784","7.024","0.003","7.556","0.004","14.102","0.004","90","","97.52","0.04","90","","742","0.6","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","β-alaninium perchlorate","β-alaninium perchlorate","","- C3 H8 Cl N O6 -","- C3 H8 Cl N O6 -","- C12 H32 Cl4 N4 O24 -","4","1","WN6064","S. Pandiarajan; B. Sridhar; R. K. Rajaram","β-Alaninium perchlorate","Acta Crystallographica Section E","2001","57","11","o1130","o1132","10.1107/S1600536801018128","","","0.71073","MoKα","","0.07","0.0619","","","","0.2164","","","","","","1.12","","","","has coordinates,has disorder,has Fobs","176435","2020-10-21","18:00:00","" "2200785","5.451","0.001","8.807","0.002","22.649","0.005","90","","90","","90","","1087.3","0.4","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","D-phenylglycinium perchlorate","D-phenylglycinium perchlorate","","- C8 H10 Cl N O6 -","- C8 H10 Cl N O6 -","- C32 H40 Cl4 N4 O24 -","4","1","WN6065","S.Ramaswamy; B.Sridhar; V.Ramakrishnan; R.K.Rajaram","D-Phenylglycinium perchlorate","Acta Crystallographica Section E","2001","57","12","o1149","o1151","10.1107/S160053680101858X","","","0.71073","MoKα","","0.058","0.0556","","","","0.1612","","","","","","1.073","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00","" "2200786","8.6314","0.0007","10.3062","0.0008","11.972","0.0009","75.4198","0.001","83.3078","0.001","84.9883","0.001","1021.81","0.14","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C36 H62 Cl2 Ni P2 S2 -","- C36 H62 Cl2 Ni P2 S2 -","- C36 H62 Cl2 Ni P2 S2 -","1","0.5","WN6066","Ilia A. Guzei; Makwena J. Moloto; James Darkwa","Bis(p-chlorothiophenolato)bis(tri-n-butylphosphine)nickel(II)","Acta Crystallographica Section E","2001","57","12","m568","m569","10.1107/S1600536801018554","","","0.71073","MoKα","","0.0533","0.0425","","","","0.1258","","","","","","1.071","","","","has coordinates","176774","2020-10-21","18:00:00","" "2200787","15.5665","0.0011","15.5665","0.0011","6.7777","0.0006","90","","90","","120","","1422.31","0.19","297","2","297","2","","","","","","","","5","P -3","-P 3","147","[CdBr4] [CdBr3] + 3 DEAH","","","- C12 H36 Br7 Cd2 N3 -","- C12 H36 Br7 Cd2 N3 -","- C24 H72 Br14 Cd4 N6 -","2","0.333333","WN6067","Willett, Roger D.; Twamley, Brendan","Diethylammonium heptabromidedicadmium(II)","Acta Crystallographica Section E","2001","57","12","m573","m575","10.1107/S1600536801018852","","","0.71073","MoKα","","0.0699","0.0389","","","","0.082","","","","","","1.016","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00","" "2200788","6.7155","0.0008","14.6106","0.0011","10.3011","0.0008","90","","95.333","0.01","90","","1006.34","0.16","293","2","293","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","copper(II)diene dichloride","","","- C8 H28 Cl4 Cu2 N6 O -","- C8 H28 Cl4 Cu2 N6 O -","- C16 H56 Cl8 Cu4 N12 O2 -","2","0.5","WN6069","Willett, Roger D.","Aqua-di-μ~2~-chloro-bis(diethylenetriamine)dicopper(II) dichloride","Acta Crystallographica Section E","2001","57","12","m605","m606","10.1107/S1600536801019808","","","0.71073","MoKα","","0.0472","0.0407","","","","0.1159","","","","","","1.033","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00","" "2200789","15.575","0.003","10.434","0.008","12.217","0.003","90","","94.65","0.01","90","","1978.8","1.6","150","2","150","2","","","","","","","","5","P 1 21 1","P 2yb","4","","(4R,5R)-2-(N-Methyl-benzylamino)-3-nitro-4-(1',2',3',4',5'-penta-O-acetyl-D- manno-pentitol-1-yl)-5-phenyl-5-phenylcarbamoyl-4,5-dihydrothiophene","","- C40 H43 N3 O13 S -","- C40 H43 N3 O13 S -","- C80 H86 N6 O26 S2 -","2","1","WN6070","Diánez, María Jesús; Estrada, María Dolores; López-Castro, Amparo; Pérez-Garrido, Simeón","(4R,5R)-2-(N-Methyl-benzylamino)-3-nitro-4-(1',2',3',4',5'-penta-O-acetyl-D-manno-pentitol-1-yl)-5-phenyl-5-phenylcarbamoyl-4,5-dihydrothiophene at 150K","Acta Crystallographica Section E","2001","57","12","o1255","o1257","10.1107/S1600536801019559","","","0.71069","MoKα","","0.0544","0.0413","","","","0.1076","","","1.02","","","1.042","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00","" "2200790","11.8845","0.001","14.8554","0.0018","21.652","0.003","90","","97.372","0.009","90","","3791","0.8","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Palladium, tetrakis[μ-(cyano-C:N)]tetrakis(pentafluorophenyl) tetrakis(triethylphosphine)tetra-, cyclo (9CI), ditoluene","","- C66 H76 F20 N4 P4 Pd4 -","- C66 H76 F20 N4 P4 Pd4 -","- C132 H152 F40 N8 P8 Pd8 -","2","0.5","YA6040","Jonathan P. H. Charmant; Pablo Espinet; Katerina Soulantica","Square [Pd~4~(μ-CN)~4~(C~6~F~5~)~4~(PEt~3~)~4~]·2C~6~H~5~CH~3~","Acta Crystallographica Section E","2001","57","10","m451","m453","10.1107/S1600536801014994","","","0.71073","MoKα","","0.039","0.025","","","","0.061","","","","","","0.97","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00","" "2200791","12.536","0.016","5.378","0.004","14.962","0.009","90","","107.83","0.08","90","","960.3","1.6","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","L-Phenylalanine‒nitric acid (2/1)","L-Phenylalanine‒nitric acid (2/1)","","- C18 H23 N3 O7 -","- C18 H16 N3 O7 -","- C36 H32 N6 O14 -","2","1","YA6047","Srinivasan, N.; Sridhar, B.; Rajaram, R. K.","L-Phenylalanine‒nitric acid (2/1)","Acta Crystallographica Section E","2001","57","10","o916","o918","10.1107/S1600536801014350","","","0.71073","MoKα","","0.093","0.069","","","","0.22","","","","","","1.09","","","","has coordinates","176774","2020-10-21","18:00:00","" "2200792","8.5196","0.0009","9.144","0.001","11.386","0.004","69.41","0.02","89.44","0.01","84.22","0.01","825.8","0.3","295","2","295","2","","","","","","","","4","P -1","-P 1","2","","Acridine‒isophthalic acid","","- C21 H15 N O4 -","- C21 H15 N O4 -","- C42 H30 N2 O8 -","2","1","YA6049","Shaameri, Zurina; Shan, Ning; Jones, William","Acridinium isophthalate","Acta Crystallographica Section E","2001","57","10","o945","o946","10.1107/S1600536801013927","","","0.71073","MoKα","","0.074","0.045","","","","0.12","","","","","","1.11","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00","" "2200793","8.659","0.004","10.036","0.0017","13.292","0.003","91.731","0.016","91.17","0.03","109.09","0.02","1090.5","0.6","293","1","293","1","","","","","","","","5","P -1","-P 1","2","","","","- C14 H18 Co2 O6 Sn2 -","- C14 H18 Co2 O6 Sn2 -","- C28 H36 Co4 O12 Sn4 -","2","1","YA6054","Zachwieja, Uwe; Preut, Hans; Mitchell, Terence; Zavgorodnii, Vladislav S.; Golosovskii, Andrei V.; Klyuchinskii, Sergei A.","{[μ,η^2^-Bis(trimethylstannyl)]acetylene}hexacarbonyldicobalt","Acta Crystallographica Section E","2001","57","11","m531","m532","10.1107/S1600536801016154","","","0.56083","AgKα","","0.047","0.034","","","","0.091","","","","","","1.03","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00","" "2200794","10.713","0.0003","9.0471","0.0003","20.6565","0.0007","90","","90.1565","0.0013","90","","2002.05","0.11","291","1","291","1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C22 H24 N2 O3 -","- C22 H24 N2 O3 -","- C88 H96 N8 O12 -","4","1","YA6055","Kolev, Tsonko; Glavcheva, Zornitza; Schürmann, Markus; Kleb, Dirk-Christian; Preut, Hans; Bleckmann, Paul","Monoclinic form of 2-{5,5-dimethyl-3-[2-(2,4,6-trimethoxyphenyl)vinyl]cyclohex-2-enylidene}malononitrile","Acta Crystallographica Section E","2001","57","10","o964","o965","10.1107/S1600536801015203","","","0.71073","MoKα","","0.167","0.054","","","","0.136","","","","","","0.95","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00","" "2200795","7.5983","0.0003","11.4757","0.0004","11.5774","0.0004","84.8457","0.0015","82.2149","0.0016","79.0257","0.0017","979.77","0.06","291","1","291","1","","","","","","","","4","P -1","-P 1","2","","","","- C22 H24 N2 O3 -","- C22 H24 N2 O3 -","- C44 H48 N4 O6 -","2","1","YA6056","Kolev, Tsonko; Glavcheva, Zornitza; Yancheva, Denitsa; Schürmann, Markus; Kleb, Dirk-Christian; Preut, Hans; Bleckmann, Paul","Triclinic form of 2-{5,5-dimethyl-3-[2-(2,4,6-trimethoxyphenyl)vinyl]cyclohex-2-enylidene}malononitrile","Acta Crystallographica Section E","2001","57","10","o966","o967","10.1107/S1600536801015197","","","0.71073","MoKα","","0.203","0.053","","","","0.118","","","","","","0.9","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00","" "2200796","7.2637","0.0003","14.4294","0.0005","15.1081","0.0005","70.368","0.003","78.55","0.002","89.08","0.0014","1459.56","0.1","120","1","120","1","","","","","","","","5","P -1","-P 1","2","","11-Chloro-5H-6,7-dihydrobenzothiazolo[2,3-b]benzo[h]quinazoline","","- C18 H13 Cl N2 S -","- C18 H13 Cl N2 S -","- C72 H52 Cl4 N8 S4 -","4","2","YA6057","Low, John Nicolson; Cobo, Justo; Nogueras, Manuel; Sánchez, Adolfo; Quiroga, Jairo; Hernández, Pedro","11-Chloro-5,7-dihydro-6H-benzothiazolo[2,3-b]benzo[h]quinazoline","Acta Crystallographica Section E","2001","57","10","o937","o938","10.1107/S1600536801014787","","","0.71073","MoKα","","0.073","0.042","","","","0.102","","","","","","1.03","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00","" "2200797","16.012","0.003","13.761","0.002","18.126","0.004","90","","98.49","0.02","90","","3950.1","1.3","291","1","291","1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C37 H40 Co2 O4 P2 Sn2 -","- C37 H40 Co2 O4 P2 Sn2 -","- C148 H160 Co8 O16 P8 Sn8 -","4","1","YA6058","Zachwieja, Uwe; Preut, Hans; Mitchell, Terence; Zavgorodnii, Vladislav S.; Golosovskii, Andrei V.; Karpov, Maxim G.","[Bis(diphenylphosphino)methane][μ,η^2^-bis(trimethylstannyl)acetylene]tetracarbonyldicobalt","Acta Crystallographica Section E","2001","57","11","m533","m534","10.1107/S1600536801016166","","","0.56083","AgKα","","0.094","0.036","","","","0.105","","","","","","0.99","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00","" "2200798","7.128","0.005","9.995","0.005","25.55","0.02","90","","94.26","0.06","90","","1815","2","123","2","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H21 Cl2 P Ru -","- C18 H21 Cl2 P Ru -","- C72 H84 Cl8 P4 Ru4 -","4","1","YA6059","Jensen, Svend B.; Spicer, Mark D.","(η^6^-Benzene)dichloro(diallylphenylphosphine)ruthenium(II), the first structurally characterized complex with the diallylphosphine ligand","Acta Crystallographica Section E","2001","57","10","o978","o979","10.1107/S1600536801015215","","","0.71073","MoKα","","0.051","0.03","","","","0.079","","","","","","1.03","","","","has coordinates","176774","2020-10-21","18:00:00","" "2200799","4.1204","0.0006","10.7106","0.0017","13.842","0.002","97.45","0.004","94.291","0.004","97.184","0.004","598.38","0.16","200","2","200","2","","","","","","","","4","P -1","-P 1","2","","4-(1-Chloroethyl)coumarin-7-yl acetate","","- C13 H11 Cl O4 -","- C13 H11 Cl O4 -","- C26 H22 Cl2 O8 -","2","1","YA6060","Errington, William; Parmar, Virinder S.; Singh, Amarjit; Singh, Ishwar","7-Acetoxy-4-(1-chloroethyl)coumarin","Acta Crystallographica Section E","2001","57","10","o939","o940","10.1107/S1600536801014799","","","0.71073","MoKα","","0.0574","0.0422","","","","0.1179","","","","","","1","","","","has coordinates","176774","2020-10-21","18:00:00","" "2200800","9.171","0.002","11.353","0.002","20.314","0.004","101.98","0.01","94.56","0.02","107.28","0.02","1952.9","0.7","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","1,4:2,3-bis(μ-2,4,6-trimethylphenyl-C:C)-1,2:3,4-bis[μ- bis(trimethylsilyl)amido-N:N]tetracopper(I)","","- C30 H58 Cu4 N2 Si4 -","- C30 H58 Cu4 N2 Si4 -","- C60 H116 Cu8 N4 Si8 -","2","1","YA6061","Niemeyer, Mark","A heteroleptic tetranuclear copper amide/aryl complex: 1,4:2,3-bis(μ-2,4,6-trimethylphenyl-C,C)-1,2:3,4-bis[μ-bis(trimethylsilyl)amido-N,N]tetracopper(I)","Acta Crystallographica Section E","2001","57","10","m491","m493","10.1107/S1600536801015550","","","0.71073","MoKα","","0.047","0.037","","","","0.101","","","","","","1.07","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00","" "2200801","19.706","0.006","4.614","0.002","12.308","0.004","90","","104.7","0.03","90","","1082.5","0.7","295","2","295","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","4-chloro-2-(phenyldiazenyl)phenol","","- C12 H9 Cl N2 O -","- C12 H9 Cl N2 O -","- C48 H36 Cl4 N8 O4 -","4","1","YA6063","Yatsenko, A. V.; Paseshnichenko, K. A.; Schenk, H.","4-Chloro-2-(phenyldiazenyl)phenol from powder data: a form stable at room temperature","Acta Crystallographica Section E","2001","57","12","o1154","o1155","10.1107/S1600536801018426","","","1.5418","CuKα","","","","","","","","","","1.09","","","","","","","has coordinates","201973","2020-10-21","18:00:00","" "2200802","12.384","0.004","19.767","0.006","4.554","0.002","90","","93.27","0.03","90","","1113","0.7","295","2","295","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","4-chloro-2-(phenyldiazenyl)phenol","","- C12 H9 Cl N2 O -","- C12 H9 Cl N2 O -","- C48 H36 Cl4 N8 O4 -","4","1","YA6064","Yatsenko, A. V.; Paseshnichenko, K. A.; Schenk, H.","4-Chloro-2-(phenyldiazenyl)phenol from powder data: a form metastable at room temperature","Acta Crystallographica Section E","2001","57","12","o1156","o1157","10.1107/S1600536801018438","","","1.5418","CuKα","","","","","","","","","","1.71","","","","","","","has coordinates","201973","2020-10-21","18:00:00","" "2200803","15.036","0.005","12.722","0.004","7.042","0.003","90","","90","","90","","1347.1","0.8","295","2","295","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","Pigment Orange 2","1-[(2-nitrophenyl)hydrazono]-1H-naphthalen-2-one","","- C16 H11 N3 O3 -","- C16 H11 N3 O3 -","- C64 H44 N12 O12 -","4","1","YA6065","Yatsenko, Alexandr V.; Paseshnichenko, Ksenia A.; Chernyshev, Vladimir V.; Schenk, Henk","1-[(2-Nitrophenyl)hydrazono]-1H-naphthalen-2-one (Pigment Orange 2) from powder data","Acta Crystallographica Section E","2001","57","12","o1152","o1153","10.1107/S1600536801018268","","","1.5418","CuKα","","","","","","","","","","3.86","","","","","","","has coordinates","201973","2020-10-21","18:00:00","" "2200804","11.3398","0.0006","11.3398","0.0006","17.3584","0.0011","90","","90","","120","","1933.09","0.19","173","2","173","2","","","","","","","","6","R -3 :H","-R 3","148","(MeCN)6Fe (SbF6)2","hexakis(acetonitrile) iron(II) hexafluoroantimonate","","- C12 H18 F12 Fe N6 Sb2 -","- C12 H18 F12 Fe N6 Sb2 -","- C36 H54 F36 Fe3 N18 Sb6 -","3","0.166667","YA6066","Brennessel, William W.; Brooks, Neil R.; Mehn, Mark P.; Que Jr, Lawrence; Young Jr, Victor G.","Hexakis(acetonitrile)iron(II) hexafluoroantimonate","Acta Crystallographica Section E","2001","57","11","m545","m546","10.1107/S1600536801017585","","","0.71073","MoKα","","0.025","0.024","","","","0.069","","","","","","1.12","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00","" "2200805","14.3726","0.0007","14.6998","0.0011","15.9304","0.0009","90","","115.156","0.004","90","","3046.5","0.3","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C31 H32 N4 O6 Pd2 -","- C31 H32 N4 O6 Pd2 -","- C124 H128 N16 O24 Pd8 -","4","1","YA6067","Olga Juanes; Juan-Carlos Rodriguez-Ubis; César J. Pastor","Double cyclometallation of bis[3-(3-methoxyphenyl)pyrazol-1-yl]methane in a bis[(acetylacetonato)palladium(II)] complex","Acta Crystallographica Section E","2001","57","12","m576","m577","10.1107/S1600536801018712","","","1.54178","CuKα","","0.035","0.033","","","","0.088","","","","","","1.07","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00","" "2200806","12.1298","0.0017","9.5303","0.0013","17.144","0.002","90","","90","","90","","1981.9","0.5","203","2","203","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","Bis-Tris","","","- C8 H19 N O5 -","- C8 H19 N O5 -","- C64 H152 N8 O40 -","8","1","YA6068","Nicholson, Kirsten N.; Twamley, Brendan; Wood, Scott","[Bis(2-hydroxyethyl)amino]tris(hydroxymethyl)methane (Bis‒Tris), an important complexing agent","Acta Crystallographica Section E","2001","57","11","o1133","o1135","10.1107/S1600536801017974","","","0.71073","MoKα","","0.043","0.034","","","","0.084","","","","","","1.03","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00","" "2200807","7.0317","0.0001","11.0201","0.0002","5.3323","0.0001","90","","90","","90","","413.2","0.012","130","2","130","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","maleic anhydride","2,5-furandione","","- C4 H2 O3 -","- C4 H2 O3 -","- C16 H8 O12 -","4","1","YA6070","Lutz, Martin","Maleic anhydride, redetermination at 130K","Acta Crystallographica Section E","2001","57","11","o1136","o1138","10.1107/S1600536801017962","","","0.71073","MoKα","","0.031","0.027","","","","0.07","","","","","","0.93","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00","" "2200808","35.262","0.003","8.3791","0.0005","24.9461","0.0017","90","","120.536","0.006","90","","6348.4","0.9","297","2","297","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C30 H27.5 Br2 N4.5 O4 Pd2 -","- C30 H27.5 Br2 N4.5 O4 Pd2 -","- C240 H220 Br16 N36 O32 Pd16 -","8","1","YA6071","Olga Juanes; Juan-Carlos Rodriguez-Ubis; César J. Pastor","Double cyclometallation of bis[3-(3-bromophenyl)pyrazol-1-yl]methane in the bis[acetylacetonatopalladium(II)] complex","Acta Crystallographica Section E","2001","57","12","m595","m596","10.1107/S1600536801019419","","","1.54178","CuKα","","0.06","0.055","","","","0.143","","","","","","1.12","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00","" "2200809","9.754","0.003","11.9028","0.0018","17.093","0.003","75.923","0.014","74.367","0.018","66.56","0.016","1732.5","0.7","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","bis(1,1':3',1''-terphenyl-κC^2'^)bis(tetrahydrofuran-κO)ytterbium(II)","","- C44 H42 O2 Yb -","- C44 H42 O2 Yb -","- C88 H84 O4 Yb2 -","2","1","YA6073","Niemeyer, Mark","A solvated ytterbium diaryl: bis(1,1':3',1''-terphenyl-C^2'^)bis(tetrahydrofuran-O)ytterbium(II)","Acta Crystallographica Section E","2001","57","12","m578","m580","10.1107/S1600536801018797","","","0.71073","MoKα","","0.04","0.032","","","","0.078","","","","","","1.19","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00","" "2200810","13.1374","0.0003","13.2089","0.0003","19.7506","0.0004","90","","90","","90","","3427.33","0.13","291","1","291","1","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C20 H20 N2 O -","- C20 H20 N2 O -","- C160 H160 N16 O8 -","8","1","YA6074","Kolev, Tsonko; Glavcheva, Zornitza; Schürmann, Markus; Kleb, Dirk-Christian; Preut, Hans; Bleckmann, Paul","2-{5,5-Dimethyl-3-[2-(2-methoxyphenyl)vinyl]cyclohex-2-enylidene}malononitrile","Acta Crystallographica Section E","2001","57","12","o1166","o1167","10.1107/S1600536801018700","","","0.71073","MoKα","","0.137","0.049","","","","0.125","","","","","","0.98","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00","" "2200811","34.1913","0.0012","10.7042","0.0004","19.1129","0.0009","90","","118.186","0.002","90","","6165.6","0.4","120","2","120","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","Methyl 5-methyl-3,4-diphenyl-1H-pyrrole-2-carboxylate","","- C19 H17 N O2 -","- C19 H17 N O2 -","- C304 H272 N16 O32 -","16","2","YA6076","Light, Mark E.; Camiolo, Salvatore; Gale, Philip A.; Hursthouse, Michael B.","Methyl 5-methyl-3,4-diphenyl-1H-pyrrole-2-carboxylate","Acta Crystallographica Section E","2001","57","12","o1245","o1246","10.1107/S1600536801019225","","","0.71073","MoKα","","0.128","0.06","","","","0.171","","","","","","1","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00","" "2300392","7.3188","0.0004","11.2018","0.0006","24.0156","0.0014","90","","90","","90","","1968.89","0.19","120","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","L-(-)Ephedrine hemihydrate","(1R,2S)-(-)-2-(N-methylamino)-1-phenylpropan-1-ol hemihydrate","","- C10 H16 N O1.5 -","- C10 H16 N O1.5 -","- C80 H128 N8 O12 -","8","2","","Krebs, Frederik C.; Jørgensen, Mikkel; Lebech, Bente; Frydenvang, Karla","A perdeuterated cryoprotectant for neutron studies and a demonstration of its use for neutron powder diffraction onL-(−)-ephedrine hemihydrate","Journal of Applied Crystallography","2001","34","2","203","","10.1107/S0021889800018987","","","0.71073","MoKα","","0.0455","0.0335","","","0.0796","0.0843","","","","","","0.989","","","","has coordinates","176809","2020-10-21","18:00:00","" "2300393","7.3105","0.0012","11.1878","0.0006","23.979","0.004","90","","90","","90","","1961.2","0.5","6","1","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","L-(-)Ephedrine hemihydrate","(1R,2S)-(-)-2-(N-methylamino)-1-phenylpropan-1-ol hemihydrate","","- C10 H16 N O1.5 -","- C10 H16 N O1.5 -","- C80 H128 N8 O12 -","8","2","","Krebs, Frederik C.; Jørgensen, Mikkel; Lebech, Bente; Frydenvang, Karla","A perdeuterated cryoprotectant for neutron studies and a demonstration of its use for neutron powder diffraction onL-(−)-ephedrine hemihydrate","Journal of Applied Crystallography","2001","34","2","203","","10.1107/S0021889800018987","","neutron","1.5418","neutron","","","","","","","","","","","","","","","","","has coordinates","211332","2020-10-21","18:00:00","" "2300442","10.652","0.004","10.374","0.006","7.582","0.002","90","","130.8","0.02","90","","634.2","0.5","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","Gadollinium potassium wolframate","","- Gd K O8 W2 -","- Gd K O8 W2 -","- Gd4 K4 O32 W8 -","4","0.5","","Pujol, M. C.; Solé, R.; Massons, J.; Gavaldà, Jna.; Solans, X.; Zaldo, C.; Díaz, F.; Aguiló, M.","Structural study of monoclinic KGd(WO4)2and effects of lanthanide substitution","Journal of Applied Crystallography","2001","34","1","1","","10.1107/S0021889800013352","","","0.71069","MoKα","","0.0731","0.0533","","0.1926","0.1301","","","","1.106","1.108","1.108","","","","","has coordinates","176809","2020-10-21","18:00:00","" "2300443","17.566","0.002","10.0964","0.0008","18.696","0.002","90","","114.458","0.011","90","","3018.3","0.6","10","1","10","1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C12 H24 B2 F8 Fe N24 -","- C12 H24 B2 F8 Fe N24 -","- C48 H96 B8 F32 Fe4 N96 -","4","1","","Kusz, Joachim; Spiering, Hartmut; Gütlich, Philipp","X-ray structure study of the light-induced metastable states of the spin-crossover compound [Fe(mtz)6](BF4)2","Journal of Applied Crystallography","2001","34","3","229","","10.1107/S0021889801000462","","","0.71073","MoKα","","0.0833","0.0557","","0.1473","0.1388","","","","1.077","1.221","1.221","","","","","has coordinates","176809","2020-10-21","18:00:00","" "2300444","17.4887","0.0015","10.0914","0.0008","18.517","0.002","90","","115.243","0.01","90","","2955.9","0.5","10","1","10","1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C12 H24 B2 F8 Fe N24 -","- C12 H24 B2 F8 Fe N24 -","- C48 H96 B8 F32 Fe4 N96 -","4","1","","Kusz, Joachim; Spiering, Hartmut; Gütlich, Philipp","X-ray structure study of the light-induced metastable states of the spin-crossover compound [Fe(mtz)6](BF4)2","Journal of Applied Crystallography","2001","34","3","229","","10.1107/S0021889801000462","","","0.71073","MoKα","","0.0821","0.0526","","0.1553","0.1275","","","","1.083","1.205","1.205","","","","","has coordinates","176809","2020-10-21","18:00:00","" "2300445","17.207","0.002","10.214","0.0014","18.406","0.003","90","","113.912","0.015","90","","2957.2","0.8","10","1","10","1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C12 H24 B2 F8 Fe N24 -","- C12 H24 B2 F8 Fe N24 -","- C48 H96 B8 F32 Fe4 N96 -","4","1","","Kusz, Joachim; Spiering, Hartmut; Gütlich, Philipp","X-ray structure study of the light-induced metastable states of the spin-crossover compound [Fe(mtz)6](BF4)2","Journal of Applied Crystallography","2001","34","3","229","","10.1107/S0021889801000462","","","0.71073","MoKα","","0.0835","0.055","","0.1559","0.1465","","","","1.102","1.259","1.259","","","","","has coordinates","176809","2020-10-21","18:00:00","" "2300522","6.3616","","6.3616","","6.837","","90","","90","","90","","276.693","","","","","","","","","","","","","2","P 4/m c c","-P 4 2c","124","","","","- Nb Te4 -","- Nb Te4 -","- Nb2 Te8 -","2","0.125","","Dusek, M.; Petricek, V.; Dinnebier, R.E.; Wunschel, M.; van Smaalen, S.","Refinement of modulated structures against X-ray powder diffraction data with JANA2000","Journal of Applied Crystallography","2001","34","","398","404","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00","" "2310326","9.046","","12.579","","6.882","","90","","90","","90","","783.1","","","","","","","","","","","","","3","P n a m","-P 2c 2n","62","","K2 (Zn Cl4)","","- Cl4 K2 Zn -","- Cl4 K2 Zn -","- Cl16 K8 Zn4 -","4","0.5","","Ferrari, E. S.; Roberts, K. J.; Thomson, G. B.; Gale, J. D.; Catlow, C. R. A.","Interatomic potential parameters for potassium tetrachlorozincate and their application to modelling its phase transformations","Acta Crystallographica Section A","2001","57","3","264","271","10.1107/S0108767300017955","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "2310327","27.251","","12.578","","7.239","","90","","90","","90","","2481.26","","","","","","","","","","","","","3","P n a 21","P 2c -2n","33","","K2 (Zn Cl4)","","- Cl4 K2 Zn -","- Cl4 K2 Zn -","- Cl48 K24 Zn12 -","12","3","","Ferrari, E. S.; Roberts, K. J.; Thomson, G. B.; Gale, J. D.; Catlow, C. R. A.","Interatomic potential parameters for potassium tetrachlorozincate and their application to modelling its phase transformations","Acta Crystallographica Section A","2001","57","3","264","271","10.1107/S0108767300017955","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "2310328","7.151","","7.54","","5.918","","90","","90","","90","","319.09","","","","","","","","","","","","","3","P b n m","-P 2c 2ab","62","","Al2 (Si O4) O","","- Al2 O5 Si -","- Al2 O5 Si -","- Al8 O20 Si4 -","4","0.5","","Oganov, A. P.; Price, G. D.; Brodholt, J. P.","Theoretical investigation of metastable Al~2~SiO~5~ polymorphs","Acta Crystallographica Section A","2001","57","5","548","557","10.1107/S0108767301007644","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "2310329","7.679","","7.727","","5.666","","90","","90","","90","","336.196","","","","","","","","","","","","","3","P n n m","-P 2 2n","58","","Al2 (Si O4) O","","- Al2 O5 Si -","- Al2 O5 Si -","- Al8 O20 Si4 -","4","0.5","","Oganov, A. P.; Price, G. D.; Brodholt, J. P.","Theoretical investigation of metastable Al~2~SiO~5~ polymorphs","Acta Crystallographica Section A","2001","57","5","548","557","10.1107/S0108767301007644","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "2310330","5.891","","7.443","","6.044","","90","","90","","90","","265.01","","","","","","","","","","","","","3","P b n m","-P 2c 2ab","62","","Al2 (Si O4) O","","- Al2 O5 Si -","- Al2 O5 Si -","- Al8 O20 Si4 -","4","0.5","","Oganov, A. P.; Price, G. D.; Brodholt, J. P.","Theoretical investigation of metastable Al~2~SiO~5~ polymorphs","Acta Crystallographica Section A","2001","57","5","548","557","10.1107/S0108767301007644","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "2311061","11.0616","","7.7264","","15.558","","90","","90","","90","","1329.69","","","","","","","","","","","","","6","P c a 21","P 2c -2ac","29","","Zn (S C (N H2)2)3 (S O4)","","- C3 H12 N6 O4 S4 Zn -","- C3 H12 N6 O4 S4 Zn -","- C12 H48 N24 O16 S16 Zn4 -","4","1","","Cole, J. M.; McIntyre, G. J.; Lehmann, M. S.; Myles, D. A. A.; Wilkinson, C.; Howard, J. A. K.","Rapid neutron-diffraction data collection for hydrogen-bonding studies: application of the Laue diffractometer (LADI) to the case study zinc tris(thiourea) sulfate","Acta Crystallographica Section A","2001","57","4","429","434","10.1107/S010876730100349X","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "2311602","7.472","0.002","12.141","0.004","10.537","0.003","90","","95.348","0.005","90","","951.7","0.5","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","trans-diiodobis(1,3,5-triaza-7-phosphaadamantane)platinum(II)","","- C12 H24 I2 N6 P2 Pt -","- C12 H24 I2 N6 P2 Pt -","- C24 H48 I4 N12 P4 Pt2 -","2","0.5","","Otto, S.; Roodt, A.","trans-Diiodobis(1,3,5-triaza-7-phosphaadamantane)platinum(II).","Acta crystallographica. Section C, Crystal structure communications","2001","57","Pt 5","540","541","10.1107/s0108270101002864","","","0.71073","MoKα","","0.0272","0.0222","","","","0.0502","","","","","","0.976","","","","has coordinates","246017","2020-10-21","18:00:00","" "4000031","10.1661","0.0006","10.1661","0.0006","5.9306","0.0004","90","","90","","120","","530.81","0.06","293","2","293","2","","","","","","","","4","P 63","P 6c","173","","","","- Ba3 O3 S4 V2 -","- Ba3 O3 S4 V2 -","- Ba6 O6 S8 V4 -","2","0.333333","","Calvagna, Frank; Zhang, Jianhua; Li, Shoujian; Zheng, Chong","Synthesis and Structural Analysis of Ba3V2O3S4","Chemistry of Materials","2001","13","2","304","307","10.1021/cm000350k","","","0.71073","MoKα","","0.0444","0.0318","","","0.055","0.0604","","","","","","1.206","","","","has coordinates","203582","2020-10-21","18:00:00","" "4000032","10.18","0.0006","15.8992","0.0009","23.2271","0.0012","90","","90","","90","","3759.4","0.4","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C10 H56 N10 O29 P6 Ti3 -","- C10 H35 N10 O29 P6 Ti3 -","- C40 H140 N40 O116 P24 Ti12 -","4","1","","Guo, Yanghong; Shi, Zhan; Yu, Jihong; Wang, Jidong; Liu, Yunling; Bai, Ni; Pang, Wenqin","Solvothermal Synthesis and Characterization of a New Titanium Phosphate with a One-Dimensional Chiral Chain","Chemistry of Materials","2001","13","1","203","207","10.1021/cm000642l","","","0.71073","MoKα","","0.0603","0.0461","","","0.1132","0.1199","","","","","","1.062","","","","has coordinates","178255","2020-10-21","18:00:00","" "4000033","15.93","0.004","15.93","0.004","21.213","0.005","90","","90","","90","","5383","2","130","2","130","2","","","","","","","","3","I 41/a c d :2","-I 4bd 2c","142","","","","- Eu14 Mn P11 -","- Eu14 Mn P11 -","- Eu112 Mn8 P88 -","8","0.25","","Payne, Amy C.; Olmstead, Marilyn M.; Kauzlarich, Susan M.; Webb, David J.","Structure, Magnetism, and Magnetoresistance of the Compounds Eu~14~MnAs~11~ and Eu~14~MnP~11~","Chemistry of Materials","2001","13","4","1398","1406","10.1021/cm0007050","","","0.71073","MoKα","","0.039","0.0279","","","0.0483","0.0513","","","","","","0.968","","","","has coordinates","203582","2020-10-21","18:00:00","" "4000034","16.318","0.002","16.318","0.002","21.684","0.004","90","","90","","90","","5773.7","1.6","130","2","130","2","","","","","","","","3","I 41/a c d :2","-I 4bd 2c","142","","","","- As11 Eu14 Mn -","- As11 Eu14 Mn -","- As88 Eu112 Mn8 -","8","0.25","","Payne, Amy C.; Olmstead, Marilyn M.; Kauzlarich, Susan M.; Webb, David J.","Structure, Magnetism, and Magnetoresistance of the Compounds Eu~14~MnAs~11~ and Eu~14~MnP~11~","Chemistry of Materials","2001","13","4","1398","1406","10.1021/cm0007050","","","0.71073","MoKα","","0.0788","0.0459","","","0.0781","0.0887","","","","","","0.996","","","","has coordinates","203582","2020-10-21","18:00:00","" "4000035","7.7102","0.0002","9.4112","0.0002","16.2819","0.0004","94.259","0.001","99.989","0.001","100.99","0.002","1135.14","0.05","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C12 H22 Cr Gd N8 O6 -","- C12 H20 Cr Gd N8 O6 -","- C24 H40 Cr2 Gd2 N16 O12 -","2","1","","Kou, Hui-Zhong; Gao, Song; Sun, Bai-Wang; Zhang, Jing","Metamagnetism of the First Cyano-Bridged Two-Dimensional Brick-Wall-like 4f‒3d Array","Chemistry of Materials","2001","13","5","1431","1433","10.1021/cm000889i","","","0.71073","MoKα","","0.0423","0.0392","","","0.1022","0.104","","","","","","1.136","","","","has coordinates","203582","2020-10-21","18:00:00","" "4000036","5.6171","0.0005","7.7555","0.0001","18.185","0.002","90","","94.719","0.01","90","","789.52","0.09","296.2","","296.2","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C18 H16 N2 O4 -","- C18 H16 N2 O4 -","- C36 H32 N4 O8 -","2","1","","Muthuraman, Meiyappan; Masse, René; Nicoud, Jean-François; Desiraju, Gautam R.","Molecular Complexation as a Design Tool in the Crystal Engineering of Noncentrosymmetric Structures. Ideal Orientation of Chromophores Linked by O‒H···O and C‒H···O Hydrogen Bonds for Nonlinear Optics","Chemistry of Materials","2001","13","5","1473","1479","10.1021/cm000927y","","","0.5608","AgKα","","","","","","","","","","","","","","","","","has coordinates","203582","2020-10-21","18:00:00","" "4000037","5.3737","0.0008","7.9572","0.0001","20.561","0.004","90.001","0.01","97.938","0.01","89.98","0.02","870.7","0.2","296.2","","296.2","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C20 H18 N2 O4 -","- C20 H18 N2 O4 -","- C40 H36 N4 O8 -","2","1","","Muthuraman, Meiyappan; Masse, René; Nicoud, Jean-François; Desiraju, Gautam R.","Molecular Complexation as a Design Tool in the Crystal Engineering of Noncentrosymmetric Structures. Ideal Orientation of Chromophores Linked by O‒H···O and C‒H···O Hydrogen Bonds for Nonlinear Optics","Chemistry of Materials","2001","13","5","1473","1479","10.1021/cm000927y","","","0.5608","AgKα","","","","","","","","","","","","","","","","","has coordinates","203582","2020-10-21","18:00:00","" "4000038","37.17","0.003","5.6947","0.0004","7.6038","0.0006","90","0.005","90","0.005","90","0.005","1609.5","0.2","296.2","","296.2","","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C18 H13 N3 O4 -","- C18 H13 N3 O4 -","- C72 H52 N12 O16 -","4","1","","Muthuraman, Meiyappan; Masse, René; Nicoud, Jean-François; Desiraju, Gautam R.","Molecular Complexation as a Design Tool in the Crystal Engineering of Noncentrosymmetric Structures. Ideal Orientation of Chromophores Linked by O‒H···O and C‒H···O Hydrogen Bonds for Nonlinear Optics","Chemistry of Materials","2001","13","5","1473","1479","10.1021/cm000927y","","","0.5608","AgKα","","","","","","","","","","","","","","","","","has coordinates","203582","2020-10-21","18:00:00","" "4000039","41.576","0.003","5.4115","0.0002","7.8364","0.0006","90","0.005","90","0.005","90","0.005","1763.1","0.2","296.2","","296.2","","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C20 H15 N3 O4 -","- C20 H15 N3 O4 -","- C80 H60 N12 O16 -","4","1","","Muthuraman, Meiyappan; Masse, René; Nicoud, Jean-François; Desiraju, Gautam R.","Molecular Complexation as a Design Tool in the Crystal Engineering of Noncentrosymmetric Structures. Ideal Orientation of Chromophores Linked by O‒H···O and C‒H···O Hydrogen Bonds for Nonlinear Optics","Chemistry of Materials","2001","13","5","1473","1479","10.1021/cm000927y","","","0.5608","AgKα","","","","","","","","","","","","","","","","","has coordinates","203582","2020-10-21","18:00:00","" "4000040","14.0195","0.0005","8.1263","0.0004","15.0153","0.0006","90","","108.207","0.002","90","","1625","0.11","296.2","","296.2","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C17 H13 N3 O6 -","- C17 H13 N3 O6 -","- C68 H52 N12 O24 -","4","1","","Muthuraman, Meiyappan; Masse, René; Nicoud, Jean-François; Desiraju, Gautam R.","Molecular Complexation as a Design Tool in the Crystal Engineering of Noncentrosymmetric Structures. Ideal Orientation of Chromophores Linked by O‒H···O and C‒H···O Hydrogen Bonds for Nonlinear Optics","Chemistry of Materials","2001","13","5","1473","1479","10.1021/cm000927y","","","0.5608","AgKα","","","","","","","","","","","","","","","","","has coordinates","203582","2020-10-21","18:00:00","" "4000041","12.305","0.002","5.642","0.0007","25.979","0.004","90","","103.401","0.005","90","","1754.5","0.4","296.2","","296.2","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C19 H15 N3 O6 -","- C19 H14 N3 O6 -","- C76 H56 N12 O24 -","4","2","","Muthuraman, Meiyappan; Masse, René; Nicoud, Jean-François; Desiraju, Gautam R.","Molecular Complexation as a Design Tool in the Crystal Engineering of Noncentrosymmetric Structures. Ideal Orientation of Chromophores Linked by O‒H···O and C‒H···O Hydrogen Bonds for Nonlinear Optics","Chemistry of Materials","2001","13","5","1473","1479","10.1021/cm000927y","","","0.5608","AgKα","","","","","","","","","","","","","","","","","has coordinates","203582","2020-10-21","18:00:00","" "4000042","15.7886","0.0011","10.0214","0.0007","16.142","0.0012","90","","106.046","0.006","90","","2454.5","0.3","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","spiro[4,5]([2,1-b:3,4-b']dithieno)decane","","- C14 H14 S2 -","- C14 H14 S2 -","- C112 H112 S16 -","8","2","","Benincori, T.; Consonni, V.; Gramatica, P.; Pilati, T.; Rizzo, S.; Sannicolo,́ F.; Todeschini, R'; Zotti, G.","Steric Control of Conductivity in Highly Conjugated Polythiophenes","Chemistry of Materials","2001","13","5","1665","1673","10.1021/cm0009118","","","0.71073","MoKα","","0.0542","0.038","","0.1002","0.0896","","","","1.022","1.043","1.043","","","","","has coordinates","203582","2020-10-21","18:00:00","" "4000043","10.6898","0.0009","10.6898","0.0009","12.909","0.0013","90","","90","","90","","1475.1","0.2","293","2","293","2","","","","","","","","3","P 43 21 2","P 4nw 2abw","96","","4-(9-bicyclo[3.3.1]nonanylidene)cyclopenta[2,1-b:3,4-b']dithiophene","","- C18 H18 S2 -","- C18 H18 S2 -","- C72 H72 S8 -","4","0.5","","Benincori, T.; Consonni, V.; Gramatica, P.; Pilati, T.; Rizzo, S.; Sannicolo,́ F.; Todeschini, R'; Zotti, G.","Steric Control of Conductivity in Highly Conjugated Polythiophenes","Chemistry of Materials","2001","13","5","1665","1673","10.1021/cm0009118","","","0.71073","MoKα","","0.0676","0.0422","","0.0976","0.0853","","","","1.061","1.076","1.076","","","","","has coordinates","203582","2020-10-21","18:00:00","" "4000044","18.593","0.011","9.663","0.003","10.159","0.003","90","","104.79","0.04","90","","1764.7","1.2","296","","296.2","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C12 H10 O S9 -","- C12 H10 O S9 -","- C48 H40 O4 S36 -","4","1","","Yamada, Jun-ichi; Oka, Rika; Mangetsu, Takashi; Akutsu, Hiroki; Nakatsuji, Shin'ichi; Nishikawa, Hiroyuki; Ikemoto, Isao; Kikuchi, Koichi","Tetrathiafulvalene Derivatives Linking a Dichalcogenolane Ring through the σ-Bond: New Donor Components for Organic Metals","Chemistry of Materials","2001","13","5","1770","1777","10.1021/cm000842x","","","0.7107","MoKα","","","","","","","","","","","","","","","","","has coordinates","203582","2020-10-21","18:00:00","" "4000045","5.086","0.002","11.5","0.003","15.08","0.005","99.01","0.02","90.16","0.03","91.09","0.02","871","0.5","298","","","","","","","","","","","6","P -1","-P 1","2","","","","- C24 H20 As F6 O4 S16 -","- C24 H20 As O4 S16 -","- C24 H20 As O4 S16 -","1","0.5","","Yamada, Jun-ichi; Oka, Rika; Mangetsu, Takashi; Akutsu, Hiroki; Nakatsuji, Shin'ichi; Nishikawa, Hiroyuki; Ikemoto, Isao; Kikuchi, Koichi","Tetrathiafulvalene Derivatives Linking a Dichalcogenolane Ring through the σ-Bond: New Donor Components for Organic Metals","Chemistry of Materials","2001","13","5","1770","1777","10.1021/cm000842x","","","0.71073","MoK-alpha","","","0.074","","","0.085","","","","","2.558","2.558","","","","","has coordinates","203582","2020-10-21","18:00:00","" "4000046","8.0813","0.0004","24.418","0.003","6.707","0.002","90.35","0.02","105.766","0.013","95.495","0.008","1267.2","0.4","296","","296.2","","","","","","","","","5","P -1","-P 1","2","","","","- C23 H12 N4 O2 S8 -","- C23 H12 N4 O2 S8 -","- C46 H24 N8 O4 S16 -","2","1","","Yamada, Jun-ichi; Oka, Rika; Mangetsu, Takashi; Akutsu, Hiroki; Nakatsuji, Shin'ichi; Nishikawa, Hiroyuki; Ikemoto, Isao; Kikuchi, Koichi","Tetrathiafulvalene Derivatives Linking a Dichalcogenolane Ring through the σ-Bond: New Donor Components for Organic Metals","Chemistry of Materials","2001","13","5","1770","1777","10.1021/cm000842x","","","0.7107","MoKα","","","","","","","","","","","","","","","","","has coordinates","203582","2020-10-21","18:00:00","" "4000047","6.4216","0.0002","10.099","0.0005","6.5008","0.0003","90","","99.622","0.003","90","","415.66","0.03","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C4 H4 Mn N8 O2 -","- C4 H4 Mn N8 O2 -","- C8 H8 Mn2 N16 O4 -","2","0.5","","Ma, Bao-Qing; Sun, Hao-Ling; Gao, Song; Su, Gang","A Novel Azido and Pyrazine-Dioxide Bridged Three-Dimensional Manganese(II) Network with Antiferromagnetic Ordering (TN= 62 K) and a Spin Flop State","Chemistry of Materials","2001","13","6","1946","1948","10.1021/cm000941a","","","0.71073","MoKα","","0.0334","0.0262","","","0.0697","0.0732","","","","","","0.994","","","","has coordinates","203582","2020-10-21","18:00:00","" "4000048","40.131","0.008","7.9554","0.0016","7.2309","0.0014","90","","91.71","0.03","90","","2307.5","0.8","293","2","293","2","","","","","","","","5","C 1 2 1","C 2y","5","","Bis(N-pentadecylpyridinium)tetrachlorocuprate(II)","","- C40 H72 Cl4 Cu N2 -","- C20 H36 Cl2.003 Cu0.501 N -","- C80 H144 Cl8.012 Cu2.004 N4 -","4","1","","Neve, Francesco; Francescangeli, Oriano; Crispini, Alessandra; Charmant, Jonathan","A~2~[MX~4~] Copper(II) Pyridinium Salts. From Ionic Liquids to Layered Solids to Liquid Crystals","Chemistry of Materials","2001","13","6","2032","2041","10.1021/cm000804d","","","0.71073","MoKα","","0.1277","0.0797","","","0.2465","0.2803","","","","","","0.941","","","","has coordinates,has disorder","203582","2020-10-21","18:00:00","" "4000049","7.284","0.002","16.032","0.005","19.029","0.009","90","","92.38","0.06","90","","2220.3","1.4","173","2","173","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","Bis(N-pentadecylpyridinium)tetrachlorocuprate(II)","","- C20 H36 Cl2 Cu0.5 N -","- C20 H5 Cl2 Cu0.5 N -","- C80 H20 Cl8 Cu2 N4 -","4","1","","Neve, Francesco; Francescangeli, Oriano; Crispini, Alessandra; Charmant, Jonathan","A~2~[MX~4~] Copper(II) Pyridinium Salts. From Ionic Liquids to Layered Solids to Liquid Crystals","Chemistry of Materials","2001","13","6","2032","2041","10.1021/cm000804d","","","0.71073","MoKα","","0.1637","0.0832","","","0.2052","0.2422","","","","","","1.032","","","","has coordinates,has disorder","203582","2020-10-21","18:00:00","" "4000050","12.5566","0.0006","12.5566","0.0006","32.0324","0.0017","90","","90","","90","","5050.5","0.4","223","2","223","2","","","","","","","","4","P 41 21 2","P 4abw 2nw","92","","","","- C36 H84 Ga4 O12 -","- C36 H84 Ga4 O12 -","- C144 H336 Ga16 O48 -","4","0.5","","Valet, Murielle; Hoffman, David M.","Synthesis of Homoleptic Gallium Alkoxide Complexes and the Chemical Vapor Deposition of Gallium Oxide Films","Chemistry of Materials","2001","13","6","2135","2143","10.1021/cm0014177","","","0.71073","MoKα","","0.0353","0.028","","","0.0704","0.0759","","","","","","1.06","","","","has coordinates,has disorder","203582","2020-10-21","18:00:00","" "4000051","9.1778","0.0005","17.5206","0.0009","33.606","0.0018","90","","93.985","0.001","90","","5390.8","0.5","223","2","223","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C30 H66 Ga2 O6 -","- C30 H66 Ga2 O6 -","- C180 H396 Ga12 O36 -","6","1.5","","Valet, Murielle; Hoffman, David M.","Synthesis of Homoleptic Gallium Alkoxide Complexes and the Chemical Vapor Deposition of Gallium Oxide Films","Chemistry of Materials","2001","13","6","2135","2143","10.1021/cm0014177","","","0.71073","MoKα","","0.0387","0.0258","","","0.065","0.0723","","","","","","1.097","","","","has coordinates,has disorder","203582","2020-10-21","18:00:00","" "4000052","10.1444","0.0008","12.8117","0.001","14.4492","0.0011","90","","92.085","0.001","90","","1876.7","0.3","223","2","223","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C14 H34 Ga N O3 -","- C14 H34 Ga N O3 -","- C56 H136 Ga4 N4 O12 -","4","1","","Valet, Murielle; Hoffman, David M.","Synthesis of Homoleptic Gallium Alkoxide Complexes and the Chemical Vapor Deposition of Gallium Oxide Films","Chemistry of Materials","2001","13","6","2135","2143","10.1021/cm0014177","","","0.71073","MoKα","","0.0461","0.0253","","","0.0598","0.0663","","","","","","0.962","","","","has coordinates,has disorder","203582","2020-10-21","18:00:00","" "4000053","10.3518","0.0008","22.4134","0.0018","8.3186","0.0007","90","","126.149","0.001","90","","1558.5","0.2","173","2","173","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C16 H12 N2 O4 Zn -","- C16 H12 N2 O4 Zn -","- C64 H48 N8 O16 Zn4 -","4","1","","Evans, Owen R.; Lin, Wenbin","Crystal Engineering of Nonlinear Optical Materials Based on Interpenetrated Diamondoid Coordination Networks","Chemistry of Materials","2001","13","8","2705","2712","10.1021/cm010301n","","","0.71073","MoKα","","0.0277","0.0255","","","0.0664","0.0677","","","","","","1.041","","","","has coordinates","203582","2020-10-21","18:00:00","" "4000054","12.0137","0.0002","22.3435","0.0004","7.7738","0.0001","90","","123.509","0.001","90","","1739.89","0.05","198","2","198","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C16 H14 Cd N2 O5 -","- C16 H12 Cd N2 O5 -","- C64 H48 Cd4 N8 O20 -","4","1","","Evans, Owen R.; Lin, Wenbin","Crystal Engineering of Nonlinear Optical Materials Based on Interpenetrated Diamondoid Coordination Networks","Chemistry of Materials","2001","13","8","2705","2712","10.1021/cm010301n","","","0.71073","MoKα","","0.0545","0.0536","","","0.1444","0.1472","","","","","","1.068","","","","has coordinates","203582","2020-10-21","18:00:00","" "4000055","22.92","0.02","28.738","0.017","22.999","0.013","90","","94.908","0.008","90","","15093","19","193","2","193","2","","","","","","","","5","I 1 a 1","I -2ya","9","","","","- C24 H16 Cd N2 O4 -","- C24 H16 Cd N2 O4.35714 -","- C672 H448 Cd28 N56 O122 -","28","7","","Evans, Owen R.; Lin, Wenbin","Crystal Engineering of Nonlinear Optical Materials Based on Interpenetrated Diamondoid Coordination Networks","Chemistry of Materials","2001","13","8","2705","2712","10.1021/cm010301n","","","0.71073","MoKα","","0.1197","0.067","","","0.1559","0.1808","","","","","","1.102","","","","has coordinates","203583","2020-10-21","18:00:00","" "4000056","22.0278","0.0014","6.7802","0.0004","24.3992","0.0015","90","","105.096","0.001","90","","3518.3","0.4","193","2","193","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C38 H31 N3 O8 Zn2 -","- C36.852 H25 N3 O7.426 Zn2 -","- C147.408 H100 N12 O29.704 Zn8 -","4","1","","Evans, Owen R.; Lin, Wenbin","Crystal Engineering of Nonlinear Optical Materials Based on Interpenetrated Diamondoid Coordination Networks","Chemistry of Materials","2001","13","8","2705","2712","10.1021/cm010301n","","","0.71073","MoKα","","0.1242","0.061","","","0.1845","0.2117","","","","","","0.996","","","","has coordinates","203582","2020-10-21","18:00:00","" "4000057","14.9179","0.0013","12.7554","0.0011","16.3222","0.0014","90","","93.89","0.002","90","","3098.7","0.5","183","2","183","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C32 H26 Cl4 Hg N2 -","- C32 H26 Cl4 Hg N2 -","- C128 H104 Cl16 Hg4 N8 -","4","1","","Ciurtin, Delia M.; Pschirer, Neil G.; Smith, Mark D.; Bunz, Uwe H. F.; zur Loye, Hans-Conrad","Two Luminescent Coordination Polymers with a Triple-Helix Structure: HgX2(C31H24N2)·CH2Cl2(X = Cl and Br)","Chemistry of Materials","2001","13","9","2743","2745","10.1021/cm0103545","","","0.71073","MoKα","","0.0803","0.0502","","","0.1274","0.1391","","","","","","0.992","","","","has coordinates","203582","2020-10-21","18:00:00","" "4000058","15.2145","0.0013","12.7376","0.0011","16.4406","0.0015","90","","94.706","0.002","90","","3175.4","0.5","183","2","183","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C32 H26 Br2 Cl2 Hg N2 -","- C32 H26 Br2 Cl2 Hg N2 -","- C128 H104 Br8 Cl8 Hg4 N8 -","4","1","","Ciurtin, Delia M.; Pschirer, Neil G.; Smith, Mark D.; Bunz, Uwe H. F.; zur Loye, Hans-Conrad","Two Luminescent Coordination Polymers with a Triple-Helix Structure: HgX2(C31H24N2)·CH2Cl2(X = Cl and Br)","Chemistry of Materials","2001","13","9","2743","2745","10.1021/cm0103545","","","0.71073","MoKα","","0.0658","0.0443","","","0.1052","0.111","","","","","","1.002","","","","has coordinates","203582","2020-10-21","18:00:00","" "4000059","8.8775","0.0007","8.8775","0.0007","23.775","0.003","90","","90","","120","","1622.7","0.2","293","2","293","2","","","","","","","","8","P -3 1 c","-P 3 2c","163","","","","- C6 H28 Cl Co N6 O26 P6 Zn8 -","- C6 H24 Cl Co N6 O26 P6 Zn8 -","- C12 H48 Cl2 Co2 N12 O52 P12 Zn16 -","2","0.166667","","Yu, Jihong; Wang, Yu; Shi, Zhan; Xu, Ruren","Hydrothermal Synthesis and Characterization of Two New Zinc Phosphates Assembled about a Chiral Metal Complex: [CoII(en)3]2[Zn6P8O32H8] and [CoIII(en)3][Zn8P6O24Cl].2H2O","Chemistry of Materials","2001","13","9","2972","2978","10.1021/cm010302f","","","0.71073","MoKα","","0.0423","0.041","","","0.1078","0.1089","","","","","","1.162","","","","has coordinates","203582","2020-10-21","18:00:00","" "4000060","16.623","0.002","30.589","0.005","17.441","0.002","90","","90.352","0.01","90","","8868","2","293","2","293","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C12 H56 Co2 N12 O32 P8 Zn6 -","- C12 H56 Co2 N12 O32 P8 Zn6 -","- C96 H448 Co16 N96 O256 P64 Zn48 -","8","1","","Yu, Jihong; Wang, Yu; Shi, Zhan; Xu, Ruren","Hydrothermal Synthesis and Characterization of Two New Zinc Phosphates Assembled about a Chiral Metal Complex: [CoII(en)3]2[Zn6P8O32H8] and [CoIII(en)3][Zn8P6O24Cl].2H2O","Chemistry of Materials","2001","13","9","2972","2978","10.1021/cm010302f","","","0.71073","MoKα","","0.1572","0.0515","","","0.0893","0.1101","","","","","","0.899","","","","has coordinates","203582","2020-10-21","18:00:00","" "4000061","7.7094","0.0002","7.7094","0.0002","20.3266","0.0007","90","","90","","90","","1208.11","0.06","198","2","198","2","","","","","","","","5","P 43 21 2","P 4nw 2abw","96","","","","- C12 H8 N2 O4 Zn -","- C16 H10.6667 N2.66667 O5.33333 Zn1.33333 -","- C48 H32 N8 O16 Zn4 -","3","0.375","","","","Chemistry of Materials","2001","","","","","","","","0.71073","MoKα","","0.1016","0.0827","","","0.1866","0.1967","","","","","","1.465","","","","has coordinates","130149","2020-10-21","18:00:00","" "4000062","10.0548","0.0008","10.2194","0.0008","12.7326","0.001","90","","105.169","0.002","90","","1262.74","0.17","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C12 H8 Cd N2 O4 -","- C12 H8 Cd N2 O4 -","- C48 H32 Cd4 N8 O16 -","4","1","","","","Chemistry of Materials","2001","","","","","","","","0.71073","MoKα","","0.065","0.0355","","","0.087","0.0944","","","","","","0.981","","","","has coordinates","178377","2020-10-21","18:00:00","" "4000063","20.6215","0.0004","36.4257","0.0002","6.2408","0.0001","90","","90","","90","","4687.79","0.12","198","2","198","2","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C28 H20 Cd N2 O4 -","- C28 H20 Cd N2 O4 -","- C224 H160 Cd8 N16 O32 -","8","0.5","","","","Chemistry of Materials","2001","","","","","","","","0.71073","MoKα","","0.0612","0.0397","","","0.0755","0.0792","","","","","","0.883","","","","has coordinates","130149","2020-10-21","18:00:00","" "4000064","21.8745","0.0012","15.1576","0.0008","32.8632","0.0018","90","","102.997","0.001","90","","10617.1","1","173","2","173","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C35 H25.75 N2.25 O4.75 Zn -","- C31.5 H20 N2.25 O4.75 Zn -","- C504 H320 N36 O76 Zn16 -","16","4","","","","Chemistry of Materials","2001","","","","","","","","0.71073","MoKα","","0.1789","0.0658","","","0.1502","0.1936","","","","","","0.87","","","","has coordinates","178377","2020-10-21","18:00:00","" "4000065","7.6251","0.0005","25.4296","0.0018","5.8625","0.0004","90","","90","","90","","1136.76","0.13","198","2","198","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C28 H22 N2 O5 Zn -","- C28 H22 N2 O4.38 Zn -","- C56 H44 N4 O8.76 Zn2 -","2","0.5","","","","Chemistry of Materials","2001","","","","","","","","0.71073","MoKα","","0.0582","0.0364","","","0.088","0.0966","","","","","","1.021","","","","has coordinates","130149","2020-10-21","18:00:00","" "4000066","17.1501","0.0015","9.9657","0.0009","12.1082","0.0011","90","","90","","90","","2069.4","0.3","173","2","173","2","","","","","","","","6","P c c a","-P 2a 2ac","54","","","","- C24 H16 N2 O4 S2 Zn -","- C24 H16 N2 O4 S2 Zn -","- C96 H64 N8 O16 S8 Zn4 -","4","0.5","","","","Chemistry of Materials","2001","","","","","","","","0.71073","MoKα","","0.1124","0.0451","","","0.0724","0.0877","","","","","","0.882","","","","has coordinates","178377","2020-10-21","18:00:00","" "4000067","7.2214","0.001","7.5155","0.001","14.9226","0.0019","88.007","0.002","82.683","0.002","61.762","0.002","707.39","0.16","173","2","173","2","","","","","","","","5","P -1","-P 1","2","Bis(guanidinium) 4,4'-biphenyldisulfonate. (1,2-dimethylnaphthalene) clathrate","","","- C13 H16 N3 O3 S -","- C13.75 H10 N3 O3 S -","- C27.5 H20 N6 O6 S2 -","2","1","","Pivovar, Adam M.; Holman, K. Travis; Ward, Michael D.","Shape-Selective Separation of Molecular Isomers with Tunable Hydrogen-Bonded Host Frameworks","Chemistry of Materials","2001","13","9","3018","","10.1021/cm0104452","","","0.71073","MoKα","","0.0812","0.073","","","0.2068","0.2125","","","","","","0.993","","","","has coordinates","178377","2020-10-21","18:00:00","" "4000068","7.308","0.0004","7.4666","0.0005","15.0563","0.0009","90.319","0.001","97.553","0.001","118.995","0.001","710.08","0.08","173","2","173","2","","","","","","","J. Swift, Prof. M. Ward","5","P -1","-P 1","2","98296","","","- C26 H32 N6 O6 S2 -","- C26 H32 N6 O6 S2 -","- C26 H32 N6 O6 S2 -","1","0.5","","Pivovar, Adam M.; Holman, K. Travis; Ward, Michael D.","Shape-Selective Separation of Molecular Isomers with Tunable Hydrogen-Bonded Host Frameworks","Chemistry of Materials","2001","13","9","3018","","10.1021/cm0104452","","","0.71073","MoKα","","0.0842","0.0681","","0.1938","0.1692","","","","1.001","1.043","1.043","","","","","has coordinates,has disorder","178377","2020-10-21","18:00:00","" "4000069","7.5289","0.0004","12.4257","0.0007","25.4206","0.0015","90","","95.539","0.001","90","","2367","0.2","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","bis(guanidinium)(4,4'-biphenyldisulfonate).3(1,6-dimethylnaphthalene)","","","- C25 H28 N3 O3 S -","- C25 H10 N3 O3 S -","- C100 H40 N12 O12 S4 -","4","1","","Pivovar, Adam M.; Holman, K. Travis; Ward, Michael D.","Shape-Selective Separation of Molecular Isomers with Tunable Hydrogen-Bonded Host Frameworks","Chemistry of Materials","2001","13","9","3018","","10.1021/cm0104452","","","0.71073","MoKα","","0.114","0.0759","","","0.2292","0.2521","","","","","","1.057","","","","has coordinates,has disorder","178377","2020-10-21","18:00:00","" "4000070","6.2313","0.0008","7.1774","0.001","14.736","0.002","78.793","0.002","89.763","0.002","86.279","0.002","645.11","0.15","173","2","173","2","","","","","","","","5","P -1","-P 1","2","bis(guanidinium)(4,4'-biphenyldisulfonate).3/4(1,7-dimethylnaphthalene)","","","- C23 H29 N6 O6 S2 -","- C25.28 H20 N6 O6 S2 -","- C25.28 H20 N6 O6 S2 -","1","0.5","","Pivovar, Adam M.; Holman, K. Travis; Ward, Michael D.","Shape-Selective Separation of Molecular Isomers with Tunable Hydrogen-Bonded Host Frameworks","Chemistry of Materials","2001","13","9","3018","","10.1021/cm0104452","","","0.71073","MoKα","","0.0723","0.0584","","","0.1679","0.1762","","","","","","1.126","","","","has coordinates,has disorder","178377","2020-10-21","18:00:00","" "4000071","6.2313","0.0008","7.1774","0.001","14.736","0.002","78.793","0.002","89.763","0.002","86.279","0.002","645.11","0.15","173","2","173","2","","","","","","","","5","P -1","-P 1","2","bis(guanidinium)(4,4'-biphenyldisulfonate).0.75(1,7-dimethylnaphthalene)","","","- C23 H29 N6 O6 S2 -","- C14 H20 N6 O6 S2 -","- C14 H20 N6 O6 S2 -","1","0.5","","Pivovar, Adam M.; Holman, K. Travis; Ward, Michael D.","Shape-Selective Separation of Molecular Isomers with Tunable Hydrogen-Bonded Host Frameworks","Chemistry of Materials","2001","13","9","3018","","10.1021/cm0104452","","","0.71073","MoKα","","0.0497","0.041","","","0.1121","0.1159","","","","","","1.068","","","","has coordinates,has disorder","178377","2020-10-21","18:00:00","" "4000072","17.3485","0.0012","7.4584","0.0005","21.6256","0.0015","90","","90","","90","","2798.2","0.3","173","2","173","2","","","","","","","","5","P n a 21","P 2c -2n","33","bis(guanidinium)(4,4'-biphenyldisulfonate).(1,8-dimethylnaphthalene)","","","- C26 H32 N6 O6 S2 -","- C26 H32 N6 O6 S2 -","- C104 H128 N24 O24 S8 -","4","1","","Pivovar, Adam M.; Holman, K. Travis; Ward, Michael D.","Shape-Selective Separation of Molecular Isomers with Tunable Hydrogen-Bonded Host Frameworks","Chemistry of Materials","2001","13","9","3018","","10.1021/cm0104452","","","0.7107","MoKα","","0.1458","0.0703","","","0.19","0.2227","","","","","","0.936","","","","has coordinates,has disorder","178377","2020-10-21","18:00:00","" "4000073","17.3485","0.0012","7.4584","0.0005","21.6256","0.0015","90","","90","","90","","2798.2","0.3","173","2","173","2","","","","","","","","5","P n a 21","P 2c -2n","33","bis(guanidinium)(4,4'-biphenyldisulfonate).(1,8-dimethylnaphthalene)","","","- C26 H32 N6 O6 S2 -","- C14 H20 N6 O6 S2 -","- C56 H80 N24 O24 S8 -","4","1","","Pivovar, Adam M.; Holman, K. Travis; Ward, Michael D.","Shape-Selective Separation of Molecular Isomers with Tunable Hydrogen-Bonded Host Frameworks","Chemistry of Materials","2001","13","9","3018","","10.1021/cm0104452","","","0.71073","MoKα","","0.0961","0.0452","","","0.0585","0.0627","","","","","","0.982","","","","has coordinates","178377","2020-10-21","18:00:00","" "4000074","7.5509","0.0007","25.493","0.002","12.0573","0.0012","90","","91.574","0.002","90","","2320.1","0.4","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","bis(guanidinium)(4,4'-biphenyldisulfonate).3(2,3-dimethylnaphthalene)","","","- C25 H28 N3 O3 S -","- C25 H28 N3 O3 S -","- C100 H112 N12 O12 S4 -","4","1","","Pivovar, Adam M.; Holman, K. Travis; Ward, Michael D.","Shape-Selective Separation of Molecular Isomers with Tunable Hydrogen-Bonded Host Frameworks","Chemistry of Materials","2001","13","9","3018","","10.1021/cm0104452","","","0.71073","MoKα","","0.0814","0.043","","","0.088","0.095","","","","","","0.852","","","","has coordinates,has disorder","178377","2020-10-21","18:00:00","" "4000075","31.569","0.002","7.356","0.0005","12.7025","0.0009","90","","109.611","0.003","90","","2778.7","0.3","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","bis(guanidinium)(4,4'-biphenyldisulfonate).(2,6-dimethylnaphthalene)","","","- C26 H32 N6 O6 S2 -","- C26 H32 N6 O6 S2 -","- C104 H128 N24 O24 S8 -","4","0.5","","Pivovar, Adam M.; Holman, K. Travis; Ward, Michael D.","Shape-Selective Separation of Molecular Isomers with Tunable Hydrogen-Bonded Host Frameworks","Chemistry of Materials","2001","13","9","3018","","10.1021/cm0104452","","","0.71073","MoKα","","0.0659","0.0453","","","0.1161","0.1235","","","","","","1.005","","","","has coordinates","178377","2020-10-21","18:00:00","" "4000076","7.5382","0.0005","25.5444","0.0016","11.9693","0.0008","90","","92.656","0.001","90","","2302.3","0.3","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","bis(guanidinium)(4,4'-biphenyldisulfonate).3(2,6-dimethylnaphthalene)","","","- C25 H28 N3 O3 S -","- C25 H28 N3 O3 S -","- C100 H112 N12 O12 S4 -","4","1","","Pivovar, Adam M.; Holman, K. Travis; Ward, Michael D.","Shape-Selective Separation of Molecular Isomers with Tunable Hydrogen-Bonded Host Frameworks","Chemistry of Materials","2001","13","9","3018","","10.1021/cm0104452","","","0.71073","MoKα","","0.0521","0.0384","","","0.0979","0.1029","","","","","","1.046","","","","has coordinates","178377","2020-10-21","18:00:00","" "4000077","13.854","0.0009","77.733","0.005","7.5814","0.0005","90","","121.055","0.001","90","","6994.3","0.8","173","2","173","2","","","","","","","","5","C 1 m 1","C -2y","8","bis(guanidinium)(4,4'-biphenyldisulfonate).3(2,7-dimethylnaphthalene)","","","- C75 H84 N9 O9 S3 -","- C75 H84 N9 O9 S3 -","- C300 H336 N36 O36 S12 -","4","1","","Pivovar, Adam M.; Holman, K. Travis; Ward, Michael D.","Shape-Selective Separation of Molecular Isomers with Tunable Hydrogen-Bonded Host Frameworks","Chemistry of Materials","2001","13","9","3018","","10.1021/cm0104452","","","0.71073","MoKα","","0.0598","0.0473","","","0.1087","0.1133","","","","","","0.994","","","","has coordinates","178377","2020-10-21","18:00:00","" "4000078","9.208","0.0003","9.208","0.0003","3.3169","0.0002","90","","90","","120","","243.553","0.018","293","2","293","2","","","","","","","","3","P 63/m","-P 6c","176","","","","- Ba S8 V6 -","- Ba0.4758 S8 V6 -","- Ba0.4758 S8 V6 -","1","0.0833333","","","","Chemistry of Materials","2001","","","","","","","","0.71073","MoKα","","0.0258","0.024","","","0.056","0.0567","","","","","","1.374","","","","has coordinates","130149","2020-10-21","18:00:00","" "4000079","28.135","0.003","8.4347","0.0009","17.6423","0.0019","90","","91.797","0.002","90","","4184.6","0.8","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C15 H12 Cd Cl2 N4 O7 -","- C15 H12 Cd Cl2 N4 O7 -","- C120 H96 Cd8 Cl16 N32 O56 -","8","1","","Zaman, Md. Badruz; Smith, Mark D.; zur Loye, Hans-Conrad","Organizing chain and square-grid architectures by employing coordination bonds between inorganic and organic components. New coordination polymers formed from Cd(II), Co(II) and Cu(II) nitrate salts and 1,4-bis(4-pyridyl)butadiyne","Chemistry of Materials","2001","","","","","","","","0.71073","MoKα","","0.0563","0.0396","","","0.0946","0.1004","","","","","","1.01","","","","has coordinates","178377","2020-10-21","18:00:00","" "4000080","22.999","0.003","23.338","0.003","7.3888","0.0011","90","","90","","90","","3966.1","1","293","2","293","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C14 H12 Co N4 O10 -","- C14 H12 Co N4 O10 -","- C112 H96 Co8 N32 O80 -","8","1","","Zaman, Md. Badruz; Smith, Mark D.; zur Loye, Hans-Conrad","Organizing chain and square-grid architectures by employing coordination bonds between inorganic and organic components. New coordination polymers formed from Cd(II), Co(II) and Cu(II) nitrate salts and 1,4-bis(4-pyridyl)butadiyne","Chemistry of Materials","2001","","","","","","","","0.71073","MoKα","","0.1211","0.0649","","","0.124","0.1443","","","","","","0.972","","","","has coordinates","178377","2020-10-21","18:00:00","" "4000081","14.3826","0.0013","22.7555","0.0019","8.9757","0.0008","90","","90","","90","","2937.6","0.4","293","2","293","2","","","","","","","","6","C 2 2 21","C 2c 2","20","","","","- C29 H18 Cl2 Cu N6 O6 -","- C29 H18 Cl2 Cu N6 O6 -","- C116 H72 Cl8 Cu4 N24 O24 -","4","0.5","","Zaman, Md. Badruz; Smith, Mark D.; zur Loye, Hans-Conrad","Organizing chain and square-grid architectures by employing coordination bonds between inorganic and organic components. New coordination polymers formed from Cd(II), Co(II) and Cu(II) nitrate salts and 1,4-bis(4-pyridyl)butadiyne","Chemistry of Materials","2001","","","","","","","","0.71073","MoKα","","0.0366","0.0358","","","0.1029","0.1036","","","","","","1.071","","","","has coordinates,has disorder","178377","2020-10-21","18:00:00","" "4000082","14.0364","0.0012","23.7595","0.0019","8.9706","0.0007","90","","90","","90","","2991.7","0.4","173","2","173","2","","","","","","","","6","C 2 2 21","C 2c 2","20","","","","- C29 H18 Cl2 Co N6 O6 -","- C29 H18 Cl2 Co N6 O6 -","- C116 H72 Cl8 Co4 N24 O24 -","4","0.5","","Zaman, Md. Badruz; Smith, Mark D.; zur Loye, Hans-Conrad","Organizing chain and square-grid architectures by employing coordination bonds between inorganic and organic components. New coordination polymers formed from Cd(II), Co(II) and Cu(II) nitrate salts and 1,4-bis(4-pyridyl)butadiyne","Chemistry of Materials","2001","","","","","","","","0.71073","MoKα","","0.0365","0.0353","","","0.0974","0.098","","","","","","1.061","","","","has coordinates","130149","2020-10-21","18:00:00","" "4000083","6.711","0.001","6.614","0.001","17.72","0.004","90","","90","","90","","786.5","0.2","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C H4 Mn N Se -","- C H4 Mn N Se -","- C8 H32 Mn8 N8 Se8 -","8","1","","Huang, Xiaoying; Heulings, IV, Harry R.; Le, Vina; Li, Jing","Inorganic-Organic Hybrid Composites Containing MQ (II-VI) Slabs: A New Class of Nanostructures with Strong Quantum Confinement and Periodic Arrangement","Chemistry of Materials","2001","13","10","3754","3759","10.1021/cm010403d","","","0.71073","MoKα","","0.0407","0.0278","","","0.0655","0.0694","","","","","","1.132","","","","has coordinates","218969","2020-10-21","18:00:00","" "4000084","20.383","0.004","6.719","0.001","6.565","0.001","90","","90","","90","","899.1","0.3","293","2","293","2","","","","","","","","5","C m c 21","C 2c -2","36","","","","- C3 H10 Mn2 N2 Se2 -","- C3 H10 Mn2 N2 Se2 -","- C12 H40 Mn8 N8 Se8 -","4","0.5","","Huang, Xiaoying; Heulings, IV, Harry R.; Le, Vina; Li, Jing","Inorganic-Organic Hybrid Composites Containing MQ (II-VI) Slabs: A New Class of Nanostructures with Strong Quantum Confinement and Periodic Arrangement","Chemistry of Materials","2001","13","10","3754","3759","10.1021/cm010403d","","","0.71073","MoKα","","0.0466","0.0367","","","0.0886","0.0924","","","","","","1.147","","","","has coordinates","218969","2020-10-21","18:00:00","" "4000085","11.396","0.001","11.49","0.001","20.141","0.002","78.49","0.005","89.59","0.005","88","0.005","2582.7","0.4","293","2","293","2","","","","","","","","3","P -1","-P 1","2","Hesathia[11]heterohelicene","Hesathia[11]heterohelicene","","- C34 H14 S6 -","- C34 H14 S6 -","- C136 H56 S24 -","4","2","","","","Chemistry of Materials","2001","","","","","","","","1.54178","CuKα","","0.1165","0.0626","","","0.1316","0.1625","","","","","","1.019","","","","has coordinates","178377","2020-10-21","18:00:00","" "4000086","11.498","0.006","16.858","0.012","15.235","0.003","90","","104.9","0.1","90","","2854","6","230","","230","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","[Cu(hfac)MHY]","","","- C12 H11 Cu F6 O2 -","- C12 Cu F6 O2 -","- C96 Cu8 F48 O16 -","8","2","","Chen, T.-Y.; Vaissermann, J.; Ruiz, E.; Senateur, J. P.; Doppelt, P.","2-Methyl-1-hexen-3-yne Lewis Base Stabilized β-Diketonate Copper(I) Complexes: X-ray Structures, Theoretical Study, and Low-Temperature Chemical Vapor Deposition of Copper Metal","Chemistry of Materials","2001","13","11","3993","4004","10.1021/cm0012318","","","0.71069","MoKα","","","0.0697","","","0.0801","","","","","1.0582","1.0582","","","","","has coordinates","211332","2020-10-21","18:00:00","" "4000087","6.918","0.004","10.654","0.007","10.884","0.003","63.28","0.04","71.44","0.04","71.07","0.05","663.5","0.7","238","","238","","","","","","","","","5","P -1","-P 1","2","[Cu(tfac)(MHY)]","","","- C12 H14 Cu F3 O2 -","- C12 H14 Cu F3 O2 -","- C24 H28 Cu2 F6 O4 -","2","1","","Chen, T.-Y.; Vaissermann, J.; Ruiz, E.; Senateur, J. P.; Doppelt, P.","2-Methyl-1-hexen-3-yne Lewis Base Stabilized β-Diketonate Copper(I) Complexes: X-ray Structures, Theoretical Study, and Low-Temperature Chemical Vapor Deposition of Copper Metal","Chemistry of Materials","2001","13","11","3993","4004","10.1021/cm0012318","","","0.71069","MoKα","","","0.0521","","","0.0632","","","","","0.9909","0.9909","","","","","has coordinates","211332","2020-10-21","18:00:00","" "4000088","7.321","0.005","20.312","0.011","9.868","0.006","90","","93.26","0.05","90","","1465","2","223","","223","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","[Cu(pfac)(MHY)]","","","- C12 H10 Cu F7 O2 -","- C12 H10 Cu F7 O2 -","- C48 H40 Cu4 F28 O8 -","4","1","","Chen, T.-Y.; Vaissermann, J.; Ruiz, E.; Senateur, J. P.; Doppelt, P.","2-Methyl-1-hexen-3-yne Lewis Base Stabilized β-Diketonate Copper(I) Complexes: X-ray Structures, Theoretical Study, and Low-Temperature Chemical Vapor Deposition of Copper Metal","Chemistry of Materials","2001","13","11","3993","4004","10.1021/cm0012318","","","0.71069","MoKα","","","0.0506","","","0.0606","","","","","1.1331","1.1331","","","","","has coordinates","211332","2020-10-21","18:00:00","" "4000089","11.6273","0.0018","21.161","0.003","14.706","0.002","90","","103.93","0.003","90","","3512","0.9","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- H21 N3 O39 U11 -","- N3 O39 U11 -","- N12 O156 U44 -","4","0.5","","Li, Yaping; Cahill, Christopher L.; Burns, Peter C.","Synthesis, Structural Characterization, and Topological Rearrangement of a Novel Open Framework U−O Material: (NH4)3(H2O)2{[(UO2)10O10(OH)][(UO4)(H2O)2]","Chemistry of Materials","2001","13","11","4026","4031","10.1021/cm0008359","","","0.71073","MoKα","","0.1613","0.077","","","0.1601","0.1812","","","","","","1.009","","","","has coordinates","192412","2020-10-21","18:00:00","" "4000090","19.615","0.005","7.239","0.002","12.064","0.003","90","","127.929","0.004","90","","1351.2","0.6","293","2","293","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- Cl Cs3 H12 O25 U6 -","- Cl Cs3 O25 U6 -","- Cl2 Cs6 O50 U12 -","2","0.5","","","","Chemistry of Materials","2001","","","","","","","","0.71073","MoKα","","0.1024","0.072","","","0.1596","0.1705","","","","","","1.021","","","","has coordinates","176467","2020-10-21","18:00:00","" "4000091","3.7928","0.0006","3.7928","0.0006","14.802","0.003","90","","90","","90","","212.94","0.07","295","2","295","2","","","","","","","","3","I 4/m m m","-I 4 2","139","","","","- As Ti Zr -","- As Ti Zr -","- As4 Ti4 Zr4 -","4","0.125","","","","Chemistry of Materials","2001","","","","","","","","0.71073","MoKα","","0.0407","0.0406","","0.0981","0.098","","","","1.479","1.497","1.497","","","","","has coordinates","134621","2020-10-21","18:00:00","" "4000092","3.7325","0.0008","3.7325","0.0008","14.495","0.005","90","","90","","90","","201.94","0.09","295","2","295","2","","","","","","","","3","I 4/m m m","-I 4 2","139","","","","- As Ti1.42 Zr0.58 -","- As Ti0.42 Zr0.58 -","- As4 Ti1.68 Zr2.32 -","4","0.125","","","","Chemistry of Materials","2001","","","","","","","","0.71073","MoKα","","0.0304","0.0269","","0.0708","0.0701","","","","1.082","1.144","1.144","","","","","has coordinates","176467","2020-10-21","18:00:00","" "4000093","23.2272","0.0004","7.1751","0.0011","6.9727","0.0006","90","","90","","90","","1162.1","0.2","293","2","293","2","","","","","","","","5","C m m m","-C 2 2","65","","","","- H17 Na8 O47.5 Si12 Ti5 -","- Na8 O47.5 Si12 Ti5 -","- Na8 O47.5 Si12 Ti5 -","1","0.0625","","","","Chemistry of Materials","2001","","","","","","","","0.71073","MoKα","","0.1019","0.0677","","","0.1593","0.1795","","","","","","1.119","","","","has coordinates","176467","2020-10-21","18:00:00","" "4000094","23.19","0.005","7.2259","0.0013","6.9699","0.0013","90","","90","","90","","1167.9","0.4","293","2","293","2","","","","","","","","5","C m m m","-C 2 2","65","","","","- Na0.8 O7.6 Si2.4 Sr0.8 Ti -","- Na0.2 O9.464 Si2.4 Sr0.8 Ti -","- Na O47.32 Si12 Sr4 Ti5 -","5","0.3125","","","","Chemistry of Materials","2001","","","","","","","","0.71073","MoKα","","0.1111","0.0728","","","0.1692","0.1876","","","","","","1.168","","","","has coordinates","176467","2020-10-21","18:00:00","" "4000095","10.9267","0.0003","10.9267","0.0003","10.9267","0.0003","90","","90","","90","","1304.57","0.06","293","0.2","293","0.2","","","","","","","","4","P a -3","-P 2ac 2ab 3","205","","","","- Ga K O14 Te6 -","- Ga K O14 Te6 -","- Ga4 K4 O56 Te24 -","4","0.166667","","Ok, Kang Min; Halasyamani, P. Shiv","New Tellurites: Syntheses, Structures, and Characterization of K2Te4O9·3.2H2O, KGaTe6O14, and KGaTe2O6·1.8H2O","Chemistry of Materials","2001","13","11","4278","4284","10.1021/cm0103489","","","0.71073","MoKα","","0.0175","0.0173","","0.0462","0.0461","","","","1.319","1.321","1.321","","","","","has coordinates","208250","2020-10-21","18:00:00","" "4000096","8.8361","0.0006","9.1648","0.0006","9.9531","0.0007","115.395","0.001","93.973","0.001","116.011","0.001","620.63","0.07","293","0.2","","","","","","","","","","5","P -1","-P 1","2","","","","- Ga H3.6 K O7.8 Te2 -","- Ga K O7.8 Te2 -","- Ga3 K3 O23.4 Te6 -","3","1.5","","Ok, Kang Min; Halasyamani, P. Shiv","New Tellurites: Syntheses, Structures, and Characterization of K2Te4O9·3.2H2O, KGaTe6O14, and KGaTe2O6·1.8H2O","Chemistry of Materials","2001","13","11","4278","4284","10.1021/cm0103489","","","","","","0.0271","0.0234","","","0.0619","0.0632","","","","","","1.114","","","","has coordinates","277839","2022-09-14","18:07:02","" "4000097","11.302","0.002","12.505","0.002","13.007","0.002","80.78","0.01","76.67","0.01","86.51","0.01","1765.1","0.5","173","2","173","2","","","","","","","","5","P -1","-P 1","2","Bis(dibenzoylmethanato)bis(2-methylpyridine)ni","Bis(1,3-diphenyl-1,3-propanediono)bis(2-methylpyridine)nickel(II), stable form","","- C42 H36 N2 Ni O4 -","- C42 H36 N2 Ni O4 -","- C84 H72 N4 Ni2 O8 -","2","1","","","","Chemistry of Materials","2001","","","","","","","","0.71073","MoKα","","0.0595","0.0424","","","0.118","0.126","","","","","","1.063","","","","has coordinates,has disorder","178377","2020-10-21","18:00:00","" "4000098","8.768","0.001","35.91","0.005","12","0.002","90","","110.97","0.01","90","","3528.1","0.9","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","Bis(dibenzoylmethanato)bis(2-methylpyridine)ni","Bis(1,3-diphenyl-1,3-propanediono)bis(2-methylpyridine)nickel(II), metastable f","","- C42 H36 N2 Ni O4 -","- C42 H36 N2 Ni O4 -","- C168 H144 N8 Ni4 O16 -","4","1","","","","Chemistry of Materials","2001","","","","","","","","0.71073","MoKα","","0.0507","0.0343","","","0.0826","0.0873","","","","","","1.033","","","","has coordinates,has disorder","178377","2020-10-21","18:00:00","" "4000099","11.765","0.002","12.861","0.002","21.378","0.003","98.92","0.01","99.23","0.01","100.29","0.01","3084.7","0.8","173","2","173","2","","","","","","","","5","P -1","-P 1","2","Bis(dibenzoylmethanato)bis(2-methylpyridine)ni","Bis(1,3-diphenyl-1,3-propanediono)bis(2-methylpyridine)nickel(II), clathrate wi","","- C50 H44 N2 Ni O4 -","- C50 H44 N2 Ni O4 -","- C150 H132 N6 Ni3 O12 -","3","1.5","","","","Chemistry of Materials","2001","","","","","","","","0.71073","MoKα","","0.0918","0.0396","","","0.0798","0.0897","","","","","","0.877","","","","has coordinates,has disorder","178377","2020-10-21","18:00:00","" "4000100","8.234","0.001","9.595","0.002","13.214","0.002","79.51","0.01","77","0.01","82.23","0.01","995.4","0.3","173","2","173","2","","","","","","","","6","P -1","-P 1","2","Bis(dibenzoylmethanato)bis(2-methylpyridine)ni","Bis(1,3-diphenyl-1,3-propanediono)bis(2-methylpyridine)nickel(II), clathrate wi","","- C48 H41 Cl N2 Ni O4 -","- C48 H41 Cl N2 Ni O4 -","- C48 H41 Cl N2 Ni O4 -","1","0.5","","","","Chemistry of Materials","2001","","","","","","","","0.71073","MoKα","","0.0469","0.0379","","","0.1021","0.1055","","","","","","1.059","","","","has coordinates,has disorder","178377","2020-10-21","18:00:00","" "4000101","21.189","0.003","28.212","0.004","10.05","0.002","90","","90","","90","","6007.7","1.7","173","2","173","2","","","","","","","","5","F d d 2","F 2 -2d","43","Bis(dibenzoylmethanato)(2-methylpyridine)zinc(","Bis(1,3-diphenyl-1,3-propanediono)(2-methylpyridine)zinc(II)","","- C36 H29 N O4 Zn -","- C36 H29 N O4 Zn -","- C288 H232 N8 O32 Zn8 -","8","0.5","","","","Chemistry of Materials","2001","","","","","","","","0.71073","MoKα","","0.0271","0.0251","","","0.066","0.0674","","","","","","1.039","","","","has coordinates,has disorder","178377","2020-10-21","18:00:00","" "4000102","13.953","0.002","15.902","0.003","16","0.003","90","","102.73","0.01","90","","3462.8","1","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Bis(dibenzoylmethanato)bis(2-methylpyridine)ca","Bis(1,3-diphenyl-1,3-propanediono)bis(2-methylpyridine)cadmium(II), cis form","","- C42 H36 Cd N2 O4 -","- C42 H36 Cd N2 O4 -","- C168 H144 Cd4 N8 O16 -","4","1","","","","Chemistry of Materials","2001","","","","","","","","0.71073","MoKα","","0.0654","0.0362","","","0.0749","0.0808","","","","","","0.917","","","","has coordinates","178377","2020-10-21","18:00:00","" "4000103","11.516","0.002","16.417","0.002","18.622","0.003","90","","90","","90","","3520.6","0.9","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","Bis(dibenzoylmethanato)bis(2-methylpyridine)ca","Bis(1,3-diphenyl-1,3-propanediono)bis(2-methylpyridine)cadmium(II), trans form","","- C42 H36 Cd N2 O4 -","- C42 H36 Cd N2 O4 -","- C168 H144 Cd4 N8 O16 -","4","1","","","","Chemistry of Materials","2001","","","","","","","","0.71073","MoKα","","0.0191","0.0172","","","0.0432","0.0438","","","","","","1.021","","","","has coordinates,has disorder","178377","2020-10-21","18:00:00","" "4000104","9.483","0.004","9.483","0.004","15.697","0.005","90","","90","","120","","1222.5","0.8","293","2","293","2","","","","","","","","6","P 65","P 65","170","","","","- B Fe1.05 H0 N0.41 O10.59 P2 -","- B Fe1.051 N0.402 O10.598 P2 -","- B6 Fe6.306 N2.412 O63.588 P12 -","6","1","","Huang, Ya-Xi; Schäfer, Gerd; Carrillo-Carbrera, Wilder; Cardoso, Raul; Schnelle, Walter; Zhao, Jing-Tai; Kniep, Rüdiger","Open-Framework Borophosphates: (NH4)0.4Fe1.05(H2O)2[BP2O8]*0.6H2O and NH4Fe[BP2O8(OH)]","Chemistry of Materials","2001","","","","","","","","0.56087","AgKα","","0.0321","0.0261","","","0.062","0.0641","","","","","","1.066","","","","has coordinates","176467","2020-10-21","18:00:00","" "4000105","9.3698","0.0011","8.3092","0.0015","9.68","0.001","90","","102.049","0.013","90","","737.04","0.18","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- B Fe H5 N O9 P2 -","- B Fe H5 N O9 P2 -","- B4 Fe4 H20 N4 O36 P8 -","4","1","","","","Chemistry of Materials","2001","","","","","","","","0.56087","AgKα","","0.0891","0.0412","","","0.0596","0.0674","","","","","","0.864","","","","has coordinates","176467","2020-10-21","18:00:00","" "4000106","16.7265","0.0002","16.7265","0.0002","20.5822","0.0004","90","","90","","120","","4986.92","0.13","296","2","296","2","","","","","","","","4","P 65 2 2","P 65 2 (0 0 1)","179","","","","- C27 H28 Co3 O26 -","- C27 H27 Co3 O26 -","- C162 H162 Co18 O156 -","6","0.5","","","","Chemistry of Materials","2001","","","","","","","","0.71073","MoKα","","0.0351","0.0298","","","0.0766","0.0788","","","","","","1.008","","","","has coordinates","178377","2020-10-21","18:00:00","" "4000107","9.6096","0.0001","12.561","0.0001","13.9736","0.0002","90","","109.239","0.001","90","","1592.5","0.03","296","2","296","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C27 H21 Co3 K O23 -","- C27 H11 Co3 K O23 -","- C54 H22 Co6 K2 O46 -","2","0.5","","","","Chemistry of Materials","2001","","","","","","","","0.71073","MoKα","","0.0367","0.0306","","","0.0861","0.0889","","","","","","1.065","","","","has coordinates,has disorder","178377","2020-10-21","18:00:00","" "4000108","15.933","0.001","7.042","0.0005","8.6496","0.0006","90","","91.661","0.001","90","","970.08","0.11","193","2","193","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C2 H10 Ce2 F10 N2 -","- C2 H10 Ce2 F10 N2 -","- C8 H40 Ce8 F40 N8 -","4","0.5","","Sykora, Richard E.; Albrecht-Schmitt, T. E.","","Chemistry of Materials","2001","","","","","","","","0.71073","MoKα","","0.0174","0.0165","","0.0419","0.0413","","","","1.099","1.11","1.11","","","","","has coordinates","178377","2020-10-21","18:00:00","" "4000109","10.9439","0.0009","6.9769","0.0006","8.7108","0.0008","90","","94.031","0.001","90","","663.46","0.1","193","2","193","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- Ce2 F10 H16 Ni O8 -","- Ce2 F10 H16 Ni O8 -","- Ce4 F20 H32 Ni2 O16 -","2","0.5","","","","Chemistry of Materials","2001","","","","","","","","0.71073","MoKα","","0.0191","0.0188","","0.0463","0.0462","","","","1.222","1.225","1.225","","","","","has coordinates","176467","2020-10-21","18:00:00","" "4000110","17.727","0.007","9.722","0.007","20.761","0.006","90","","110.88","0.02","90","","3343","2","301.2","","301.2","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C28 H42 Ba N6 O5 S2 -","- C28 H42 Ba N6 O5 S2 -","- C112 H168 Ba4 N24 O20 S8 -","4","0.5","","Chan, Suk Hang; Wong, Wing Tak; Chan, Wai Kin","Synthesis and Properties of Polyimide with Diazacrown Ether Moiety and the Corresponding Polymer Barium Complexes","Chemistry of Materials","2001","13","12","4635","4641","10.1021/cm0103500","","","0.7107","MoKalpha","","","0.0406","","","0.0358","","","","","1.255","1.255","","","","","has coordinates","277941","2022-09-17","18:03:31","" "4000111","6.5447","0.0004","6.5447","0.0004","7.696","0.0006","90","","90","","90","","329.64","0.04","293","2","293","2","","","","","","","","4","I -4 2 m","I -4 2","121","","","","- Eu Ge Li2 S4 -","- Eu Ge Li2 S4 -","- Eu2 Ge2 Li4 S8 -","2","0.125","","Aitken, Jennifer A.; Larson, Paul; Mahanti, S. D.; Kanatzidis, Mercouri G.","Li~2~PbGeS~4~ and Li~2~EuGeS~4~: polar chalcopyrites with a severe tetragonal compression","Chemistry of Materials","2001","13","12","4714","4721","10.1021/cm0105357","","","0.71073","MoKα","","0.0224","0.0224","","","0.0551","0.0551","","","","","","1.148","","","","has coordinates","277940","2022-09-17","16:36:05","" "4000683","7.5046","0.0005","10.7097","0.0008","10.7159","0.0008","60.849","0.001","69.918","0.001","85.968","0.001","701.49","0.09","293","0.2","293","0.2","","","","","","","","4","P 1","P 1","1","","","","- H8 K2 O12.2 Te4 -","- K2 O12.2 Te4 -","- K4 O24.4 Te8 -","2","2","","Ok, Kang Min; Halasyamani, P. Shiv","New Tellurites: Syntheses, Structures, and Characterization of K2Te4O9·3.2H2O, KGaTe6O14, and KGaTe2O6·1.8H2O","Chemistry of Materials","2001","13","11","4278","4284","10.1021/cm0103489","","","0.71073","MoKα","","0.0316","0.0313","","","0.0856","0.0859","","","","","","1.073","","","","has coordinates","209296","2020-10-21","18:00:00","" "4000685","16.012","0.002","16.012","0.002","12.447","0.002","90","","90","","120","","2763.7","0.7","293","","293","","","","","","","","","4","R -3 c :H","-R 3 2""c","167","","","","- C10 H26 N6 S3 -","- C10 H12 N6 S3 -","- C60 H72 N36 S18 -","6","0.166667","","Thierry Maris; Michael J. Henson; Stephen J. Heyes; Keith Prout","Investigations of the Phase Transitions in Thiourea Inclusion Compounds with Cycloheptane, Cyclooctane, and Cyclooctanone","Chem. Mater.","2001","13","","2483","2492","10.1021/cm991173u","","","1.5418","CuKα","","","0.0827","","","","0.1078","","","","","","0.8824","","","","has coordinates","176467","2020-10-21","18:00:00","" "4000686","12.406","0.008","15.535","0.008","10.14","0.009","90","","114.27","0.03","90","","1782","2","150","","150","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C10 H26 N6 S3 -","- C10 H26 N6 S3 -","- C40 H104 N24 S12 -","4","1","","Thierry Maris; Michael J. Henson; Stephen J. Heyes; Keith Prout","Investigations of the Phase Transitions in Thiourea Inclusion Compounds with Cycloheptane, Cyclooctane, and Cyclooctanone","Chem. Mater.","2001","13","","2483","2492","10.1021/cm991173u","","","1.5418","CuKα","","","0.0765","","","","0.0944","","","","","","1.0083","","","","has coordinates","176467","2020-10-21","18:00:00","" "4000687","16.225","0.002","16.225","0.002","12.488","0.004","90","","90","","120","","2847","1","293","","293","","","","","","","","","4","R -3 c :H","-R 3 2""c","167","","","","- C11 H28 N6 S3 -","- C11 H12 N6 S3 -","- C66 H72 N36 S18 -","6","0.166667","","Thierry Maris; Michael J. Henson; Stephen J. Heyes; Keith Prout","Investigations of the Phase Transitions in Thiourea Inclusion Compounds with Cycloheptane, Cyclooctane, and Cyclooctanone","Chem. Mater.","2001","13","","2483","2492","10.1021/cm991173u","","","1.5418","CuKα","","","0.0922","","","","0.1091","","","","","","0.9657","","","","has coordinates","176467","2020-10-21","18:00:00","" "4000688","12.465","0.005","15.555","0.007","10.392","0.004","90","","113.99","0.03","90","","1840.9","1.4","210","","210","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C11 H28 N6 S3 -","- C11 H28 N6 S3 -","- C44 H112 N24 S12 -","4","1","","Thierry Maris; Michael J. Henson; Stephen J. Heyes; Keith Prout","Investigations of the Phase Transitions in Thiourea Inclusion Compounds with Cycloheptane, Cyclooctane, and Cyclooctanone","Chem. Mater.","2001","13","","2483","2492","10.1021/cm991173u","","","1.5418","CuKα","","","0.0573","","","","0.0673","","","","","","1.0086","","","","has coordinates","176467","2020-10-21","18:00:00","" "4000689","12.416","0.0006","30.918","0.0013","10.371","0.0005","90","","113.848","0.003","90","","3641.3","0.3","150","","150","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C11 H28 N6 S3 -","- C11 H28 N6 S3 -","- C88 H224 N48 S24 -","8","2","","Thierry Maris; Michael J. Henson; Stephen J. Heyes; Keith Prout","Investigations of the Phase Transitions in Thiourea Inclusion Compounds with Cycloheptane, Cyclooctane, and Cyclooctanone","Chem. Mater.","2001","13","","2483","2492","10.1021/cm991173u","","","0.71069","MoKα","","","0.0432","","","","0.0551","","","","","","0.9775","","","","has coordinates","201982","2020-10-21","18:00:00","" "4000690","12.761","0.0015","15.631","0.002","10.3603","0.0013","90","","117.098","0.011","90","","1839.7","0.4","293","","","","","","","","","","see text","5","P 1 21/c 1","-P 2ybc","14","","","","- C11 H26 N6 O S3 -","- C11 H26 N6 O S3 -","- C44 H104 N24 O4 S12 -","4","1","","Thierry Maris; Michael J. Henson; Stephen J. Heyes; Keith Prout","Investigations of the Phase Transitions in Thiourea Inclusion Compounds with Cycloheptane, Cyclooctane, and Cyclooctanone","Chem. Mater.","2001","13","","2483","2492","10.1021/cm991173u","","","1.5418","CuKα","","","0.068","","","","0.0747","","","","","","1.086","","","","has coordinates","178377","2020-10-21","18:00:00","" "4000691","12.746","0.007","15.6205","0.0017","10.3555","0.0014","90","","117.134","0.008","90","","1834.9","1.1","280","","","","","","","","","","see text","5","P 1 21/c 1","-P 2ybc","14","","","","- C11 H26 N6 O S3 -","- C11 H26 N6 O S3 -","- C44 H104 N24 O4 S12 -","4","1","","Thierry Maris; Michael J. Henson; Stephen J. Heyes; Keith Prout","Investigations of the Phase Transitions in Thiourea Inclusion Compounds with Cycloheptane, Cyclooctane, and Cyclooctanone","Chem. Mater.","2001","13","","2483","2492","10.1021/cm991173u","","","1.5418","CuKα","","","0.0354","","","","0.0436","","","","","","0.982","","","","has coordinates","178377","2020-10-21","18:00:00","" "4000692","12.637","0.0014","15.518","0.002","10.293","0.0014","90","","117.38","0.01","90","","1792.4","0.4","120","","","","","","","","","","see text","5","P 1 21/c 1","-P 2ybc","14","","","","- C11 H26 N6 O S3 -","- C11 H26 N6 O S3 -","- C44 H104 N24 O4 S12 -","4","1","","Thierry Maris; Michael J. Henson; Stephen J. Heyes; Keith Prout","Investigations of the Phase Transitions in Thiourea Inclusion Compounds with Cycloheptane, Cyclooctane, and Cyclooctanone","Chem. Mater.","2001","13","","2483","2492","10.1021/cm991173u","","","1.5418","CuKα","","","0.0373","","","","0.0434","","","","","","1.038","","","","has coordinates","178377","2020-10-21","18:00:00","" "4001730","4.697","","21.912","","8.127","","90","","90","","90","","836.436","","","","","","","","","","","","","3","I m m 2","I 2 -2","44","","Yb Au Sn","","- Au Sn Yb -","- Au Sn Yb -","- Au12 Sn12 Yb12 -","12","1.5","","Poettgen, R.; Hoffmann, R.D.; Kussmann, D.; Muellmann, R.; Mosel, B.D.","Secondary Au-Au and Sn-Sn interactions in the superstructure of Yb Au Sn - missing link in the series of K Hg2 superstructures","Chemistry of Materials (1,1989-)","2001","13","","4019","4025","","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00","" "4001744","6.48","","6.68","","6.84","","90","","109.41","","90","","279.251","","","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Li Sr (B O3)","","- B Li O3 Sr -","- B Li O3 Sr -","- B4 Li4 O12 Sr4 -","4","1","","Zhang, H.; Zheng, F.-K.; Lin, Q.-S.; Cheng, W.-D.; Chen, J.-T.","Syntheses, crystal and electronic structures, and linear optics of Li M B O3 (M= Sr, Ba) orthoborates","Chemistry of Materials (1,1989-)","2001","13","","1841","1847","","","","","","","","","","","","","","","","","","","","","","has coordinates","176432","2020-10-21","18:00:00","" "4001748","11.043","","6.563","","9.129","","90","","91.47","","90","","661.408","","","","","","","","","","","","","4","C 1 2 1","C 2y","5","","La2 Ca (B10 O19)","","- B10 Ca La2 O19 -","- B10 Ca La2 O19 -","- B20 Ca2 La4 O38 -","2","0.5","","Wang, J.-X.; Liu, J.-G.; Fu, P.-Z.; Wu, Y.-C.; Wang, G.-F.; Zhou, H.-Y.; Chen, C.-T.","A new lanthanum and calcium borate La2 Ca Bi10 O19","Chemistry of Materials (1,1989-)","2001","13","","753","755","","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00","" "4001749","6.372","","7.022","","7.058","","90","","113.89","","90","","288.748","","","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Li Ba (B O3)","","- B Ba Li O3 -","- B Ba Li O3 -","- B4 Ba4 Li4 O12 -","4","1","","Chen, J.-T.; Cheng, W.-D.; Zhang, H.; Lin, Q.-S.; Zheng, F.-K.","Syntheses, crystal and electronic structures, and linear optics of Li M B O3 (M = Sr, Ba) orthoborates","Chemistry of Materials (1,1989-)","2001","13","","1841","1847","","","","","","","","","","","","","","","","","","","","","","has coordinates","176432","2020-10-21","18:00:00","" "4001897","2.83961","0.00011","2.83961","0.00011","14.486","0.005","90","","90","","120","","101.16","0.04","","","","","","","","","","","","3","R -3 m :H","-R 3 2""","166","","Lithium Manganese Oxide (0.48/0.89/2)","","- Li0.48 Mn0.89 O2 -","- Li0.48 Mn0.89 O2 -","- Li1.44 Mn2.67 O6 -","3","0.0833333","","Raekelboom, E.; Hector, A. L.; Owen, J.; Vitins, G.; Weller, M. T.","Syntheses, structures, and preliminary electrochemistry of the layered lithium and sodium manganese(IV) oxides, A~2~Mn~3~O~7~","Chemistry of Materials","2001","13","12","4618","4623","10.1021/cm011105j","","","","","","0.047","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00","" "4002303","4.9218","","5.6675","","5.8826","","69.49","","91.46","","116.14","","136.34","","","","","","","","","","","","","4","P -1","-P 1","2","","Li2 Co (W O4)2","","- Co Li2 O8 W2 -","- Co Li2 O8 W2 -","- Co Li2 O8 W2 -","1","0.5","","Alvarez-Vega, M.; Rodriguez-Carvajal, J.; Reyes-Cardenas, J.G.; Fuentes, A.F.; Amador, U.","Synthesis and characterization of new double tungstates Li2 M(II) (W O4)2 (M = Co, Ni and Cu)","Chemistry of Materials (1,1989-)","2001","13","","3871","3875","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "4002304","4.907","","5.602","","5.8403","","70.92","","88.52","","115.45","","134.374","","","","","","","","","","","","","4","P -1","-P 1","2","","Li2 Ni (W O4)2","","- Li2 Ni O8 W2 -","- Li2 Ni O8 W2 -","- Li2 Ni O8 W2 -","1","0.5","","Alvarez-Vega, M.; Rodriguez-Carvajal, J.; Reyes-Cardenas, J.G.; Fuentes, A.F.; Amador, U.","Synthesis and characterization of new double tungstates Li2 M(II) (W O4)2 (M = Co, Ni and Cu)","Chemistry of Materials (1,1989-)","2001","13","","3871","3875","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "4002305","4.9669","","5.4969","","5.8883","","70.72","","85.99","","66.04","","138.289","","","","","","","","","","","","","4","P -1","-P 1","2","","Li2 Cu (W O4)2","","- Cu Li2 O8 W2 -","- Cu Li2 O8 W2 -","- Cu Li2 O8 W2 -","1","0.5","","Alvarez-Vega, M.; Amador, U.; Rodriguez-Carvajal, J.; Reyes-Cardenas, J.G.; Fuentes, A.F.","Synthesis and characterization of new double tungstates Li2 M(II) (W O4)2 (M = Co, Ni and Cu)","Chemistry of Materials (1,1989-)","2001","13","","3871","3875","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "4002306","4.2454","","16.636","","5.284","","90","","107.57","","90","","355.781","","","","","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","(U O2) (I O3)2","","- I2 O8 U -","- I2 O8 U -","- I4 O16 U2 -","2","0.5","","Bean, A.C.; Peper, S.M.; Albrecht-Schmitt, T.E.","Structural relationships, interconversion, and optical properties of the uranyl iodates, U O2 (I O3)2 and U O2 (I O3)2 (H2 O): a comparison of reactions under mild and supercritical conditions","Chemistry of Materials (1,1989-)","2001","13","","1266","1272","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "4002307","8.452","","7.707","","12.271","","90","","90","","90","","799.328","","","","","","","","","","","","","4","P b c n","-P 2n 2ab","60","","(U O2) (I O3)2 (H2 O)","","- H2 I2 O9 U -","- I2 O9 U -","- I8 O36 U4 -","4","0.5","","Bean, A.C.; Peper, S.M.; Albrecht-Schmitt, T.E.","Structural relationships, interconversion, and optical properties of the uranyl iodates, U O2 (I O3)2 and U O2 (I O3)2 (H2 O): a comparison of reactions under mild and supercritical conditions","Chemistry of Materials (1,1989-)","2001","13","","1266","1272","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "4002308","5.538","","7.058","","7.12","","107.66","","112.21","","95.65","","238.238","","","","","","","","","","","","","4","P -1","-P 1","2","","Na0.96 Bi3.04 V2 O10","","- Bi3.04 Na0.96 O10 V2 -","- Bi3.046 Na0.952 O10 V2 -","- Bi3.046 Na0.952 O10 V2 -","1","0.5","","Bliesner, R.; Sleight, A.W.; Uma, S.; Yokochi, A.","Structure of Na Bi3 V2 O10 and implications for ionic conductivity","Chemistry of Materials (1,1989-)","2001","13","","3825","3826","","","","","","","","","","","","","","","","","","","","","","has coordinates","146726","2020-10-21","18:00:00","" "4002309","6.4394","","7.4299","","9.854","","90","","90","","90","","471.456","","","","","","","","","","","","","6","P m c 21","P 2c -2","26","","(N H4) (Co2 (H2 O)2 H V O2 (P O4)2)","","- Co2 H9 N O12 P2 V -","- Co2 N O12 P2 V -","- Co4 N2 O24 P4 V2 -","2","0.5","","Boudin, S.; Raveau, B.; Chardon, J.","A novel cobalt(II) vanadophosphate with a quasi zeolithic intersecting tunnel structure N H4 Co2 (H2 O)2 H V O2 (P O4)2","Chemistry of Materials (1,1989-)","2001","13","","4101","4104","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "4002310","3.89477","","3.89477","","27.6961","","90","","90","","90","","420.129","","","","","","","","","","","","","5","I 4/m m m","-I 4 2","139","","Sr4 Fe (Cr O6) (C O3)","","- C Cr Fe O9 Sr4 -","- C Cr Fe O9 Sr4 -","- C2 Cr2 Fe2 O18 Sr8 -","2","0.0625","","Breard, Y.; Michel, C.; Hervieu, M.; Nguyen, N.; Ducouret, A.; Suard, E.; Studer, F.; Maignan, A.; Raveau, B.","A layered oxycarbonate involving trivalent chromium: Sr4 Fe Cr O6 C O3","Chemistry of Materials (1,1989-)","2001","13","","2423","2429","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "4002311","4.1349","","11.2842","","13.2408","","90","","90","","90","","617.803","","","","","","","","","","","","","3","C m c m","-C 2c 2","63","","","","- Eu4 Ga8 Ge16 -","- Eu4 Ga7.9992 Ge16.0008 -","- Eu4 Ga7.9992 Ge16.0008 -","1","0.0625","","Bryan, J.D.; Stucky, G.D.","Eu4 Ga8 Ge16: a new four-coordinate clathrate network","Chemistry of Materials (1,1989-)","2001","13","","253","257","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00","" "4002312","10.568","","10.568","","10.568","","90","","90","","90","","1180.26","","","","","","","","","","","","","5","P 21 3","P 2ac 2ab 3","198","","Cs Na2 (H S O4)3","","- Cs H3 Na2 O12 S3 -","- Cs H3 Na2 O12 S3 -","- Cs4 H12 Na8 O48 S12 -","4","0.333333","","Chisholm, C.R.I.; Cowan, L.A.; Klooster, W.T.; Haile, S.M.","Synthesis, structure and properties of compounds in the Na H S O4 - Cs H S O4 system. 1. Crystal structures of Cs2 Na (H S O4)3 and Cs Na2 (H S O4)3","Chemistry of Materials (1,1989-)","2001","13","","2574","2583","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "4002313","8.5712","","8.5712","","9.98","","90","","90","","120","","634.957","","","","","","","","","","","","","5","P 63/m","-P 6c","176","","Cs2 Na (H S O4)3","","- Cs2 H3 Na O12 S3 -","- Cs2 H3 Na O12 S3 -","- Cs4 H6 Na2 O24 S6 -","2","0.166667","","Chisholm, C.R.I.; Cowan, L.A.; Haile, S.M.; Klooster, W.T.","Synthesis, structure and properties of compounds in the Na H S O4 -Cs H S O4 system. 1. Crystal structures of Cs2 Na (H S O4)3 and Cs Na2 (H S O4)3","Chemistry of Materials (1,1989-)","2001","13","","2574","2583","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "4002314","3.8503","","3.8503","","11.2841","","90","","90","","90","","167.285","","","","","","","","","","","","","5","P 4/m m m","-P 4 2","123","","Rb0.9 Sr (Nb2 O6 F)","","- F Nb2 O6 Rb0.9 Sr -","- F Nb2 O6 Rb0.9 Sr -","- F Nb2 O6 Rb0.9 Sr -","1","0.0625","","Choy, J.-H.; Kim, J.-Y.; Kim, S.-J.; Sohn, J.-S.","New Dion-Jacobson-type layered perovskite oxyfluorides, A Sr Nb2 O6F (A = Li, Na and Rb)","Chemistry of Materials (1,1989-)","2001","13","","906","912","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "4002315","3.8304","","3.8304","","20.837","","90","","90","","90","","305.72","","","","","","","","","","","","","5","I 4/m m m","-I 4 2","139","","Li0.9 Sr (Nb2 O6 F)","","- F Li0.9 Nb2 O6 Sr -","- F Li0.9 Nb2 O6 Sr -","- F2 Li1.8 Nb4 O12 Sr2 -","2","0.0625","","Choy, J.-H.; Kim, S.-J.; Kim, J.-Y.; Sohn, J.-S.","New Dion-Jacobson-type layered perovskite oxyfluorides, A Sr Nb2 O6 F (A = Li, Na and Rb)","Chemistry of Materials (1,1989-)","2001","13","","906","912","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "4002316","10.7455","","6.3469","","20.48","","90","","104.286","","90","","1353.56","","","","","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","(Ti2 (H P O4)3 (P O4)) (C4 N2 H12)0.5","","- C2 H9 N O16 P4 Ti2 -","- C2 H9 N O16 P4 Ti2 -","- C8 H36 N4 O64 P16 Ti8 -","4","1","","Liu, Y.-L.; Shi, Z.; Zhang, L.-R.; Li, B.-Z.; Pang, W.-Q.; Chen, J.-S.; Fu, Y.-L.; Hua, J.","Hydrothermal synthesis and characterization of two three-dimensional titanium phosphates","Chemistry of Materials (1,1989-)","2001","13","","2017","2022","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "4002317","16.864","","16.864","","12.334","","90","","90","","120","","3037.78","","","","","","","","","","","","","6","R -3 :H","-R 3","148","","(Ti7 (H P O4)6 (P O4)6) (C6 N2 H14)","","- C6 H20 N2 O48 P12 Ti7 -","- C6 N2 O48 P12 Ti7 -","- C18 N6 O144 P36 Ti21 -","3","0.166667","","Liu, Y.-L.; Shi, Z.; Zhang, L.-R.; Hua, J.; Chen, J.-S.; Li, B.-Z.; Fu, Y.-L.; Pang, W.-Q.","Hydrothermal synthesis and characterization of two three-dimensional titanium phosphates","Chemistry of Materials (1,1989-)","2001","13","","2017","2022","","","","","","","","","","","","","","","","","","","","","","has coordinates","146867","2020-10-21","18:00:00","" "4002318","3.76932","","3.76932","","12.6641","","90","","90","","90","","179.929","","","","","","","","","","","","","5","I 4/m m m","-I 4 2","139","","(Sr0.9 La1.1) (Al0.9 Mg0.1) O4","","- Al0.9 La1.1 Mg0.1 O4 Sr0.9 -","- Al0.9 La1.1 Mg0.1 O4 Sr0.9 -","- Al1.8 La2.2 Mg0.2 O8 Sr1.8 -","2","0.0625","","Magrez, A.; Cochet, M.; Louarn, G.; Joubert, O.; Ganne, M.; Chauvet, O.","High internal stresses in Sr1-x La1+x Al1-x Mgx O4 solid solution (0 <= x <= 0.7) characterized by infrared and Raman spectroscopies coupled with crystal structure refinement","Chemistry of Materials (1,1989-)","2001","13","","3893","3898","","","","","","","","","","","","","","","","","","","","","","has coordinates","146962","2020-10-21","18:00:00","" "4002319","3.79121","","3.79121","","12.6821","","90","","90","","90","","182.283","","","","","","","","","","","","","5","I 4/m m m","-I 4 2","139","","(Sr0.7 La1.3) (Al0.7 Mg0.3) O4","","- Al0.7 La1.3 Mg0.3 O4 Sr0.7 -","- Al0.7 La1.3 Mg0.3 O4 Sr0.7 -","- Al1.4 La2.6 Mg0.6 O8 Sr1.4 -","2","0.0625","","Magrez, A.; Louarn, G.; Joubert, O.; Cochet, M.; Ganne, M.; Chauvet, O.","High internal stresses in Sr1-x La1+x Al1-x Mgx O4 solid solution (0 <= x <= 0.7) characterized by infrared and Raman spectroscopies coupled with crystal structure refinement","Chemistry of Materials (1,1989-)","2001","13","","3893","3898","","","","","","","","","","","","","","","","","","","","","","has coordinates","146964","2020-10-21","18:00:00","" "4002320","3.80413","","3.80413","","12.6852","","90","","90","","90","","183.573","","","","","","","","","","","","","5","I 4/m m m","-I 4 2","139","","(Sr0.6 La1.4) (Al0.6 Mg0.4) O4","","- Al0.6 La1.4 Mg0.4 O4 Sr0.6 -","- Al0.6 La1.4 Mg0.4 O4 Sr0.6 -","- Al1.2 La2.8 Mg0.8 O8 Sr1.2 -","2","0.0625","","Magrez, A.; Ganne, M.; Cochet, M.; Chauvet, O.; Joubert, O.; Louarn, G.","High internal stresses in Sr1-x La1+x Al1-x Mgx O4 solid solution (0 <= x <= 0.7) characterized by infrared and Raman spectroscopies coupled with crystal structure refinement","Chemistry of Materials (1,1989-)","2001","13","","3893","3898","","","","","","","","","","","","","","","","","","","","","","has coordinates","146966","2020-10-21","18:00:00","" "4002321","3.81611","","3.81611","","12.6832","","90","","90","","90","","184.702","","","","","","","","","","","","","5","I 4/m m m","-I 4 2","139","","(Sr0.5 La1.5) (Al0.5 Mg0.5) O4","","- Al0.5 La1.5 Mg0.5 O4 Sr0.5 -","- Al0.5 La1.5 Mg0.5 O4 Sr0.5 -","- Al La3 Mg O8 Sr -","2","0.0625","","Magrez, A.; Cochet, M.; Joubert, O.; Louarn, G.; Ganne, M.; Chauvet, O.","High internal stresses in Sr1-x La1+x Al1-x Mgx O4 solid solution (0 <= x <= 0.7) characterized by infrared and Raman spectroscopies coupled with crystal structure refinement","Chemistry of Materials (1,1989-)","2001","13","","3893","3898","","","","","","","","","","","","","","","","","","","","","","has coordinates","146968","2020-10-21","18:00:00","" "4002322","3.84414","","3.84414","","12.671","","90","","90","","90","","187.245","","","","","","","","","","","","","5","I 4/m m m","-I 4 2","139","","(Sr0.3 La1.7) (Al0.3 Mg0.7) O4","","- Al0.3 La1.7 Mg0.7 O4 Sr0.3 -","- Al0.3 La1.7 Mg0.7 O4 Sr0.3 -","- Al0.6 La3.4 Mg1.4 O8 Sr0.6 -","2","0.0625","","Magrez, A.; Cochet, M.; Ganne, M.; Joubert, O.; Louarn, G.; Chauvet, O.","High internal stresses in Sr1-x La1+x Al1-x Mgx O4 solid solution (0 <= x <= 0.7) characterized by infrared and Raman spectroscopies coupled with crystal structure refinement","Chemistry of Materials (1,1989-)","2001","13","","3893","3898","","","","","","","","","","","","","","","","","","","","","","has coordinates","146970","2020-10-21","18:00:00","" "4002323","6.1413","","6.1413","","11.4122","","90","","90","","120","","372.753","","","","","","","","","","","","","3","P 63 c m","P 6c -2","185","","Ho (Mn O3)","","- Ho Mn O3 -","- Ho Mn O3 -","- Ho6 Mn6 O18 -","6","0.5","","Munoz, A.; Alonso, J.A.; Martinez-Lope, M.J.; Casais, M.T.; Martinez, J.L.; Fernandez-Diaz, M.T.","Evolution of the magnetic structure of hexagonal Ho Mn O3 from neutron powder diffraction data","Chemistry of Materials (1,1989-)","2001","13","","1497","1505","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "4002324","23.2272","","7.1751","","6.9727","","90","","90","","90","","1162.05","","","","","","","","","","","","","5","C m m m","-C 2 2","65","","Na8 (Ti5 H2 Si12 O39) (H2 O)8.45","","- H18.9 Na8 O47.45 Si12 Ti5 -","- Na8 O47.45 Si12 Ti5 -","- Na8 O47.45 Si12 Ti5 -","1","0.0625","","Nair, S.; Jeong, H.-K.; Tsapatsis, M.; Chandrasekaran, A.; Kuznicki, S.M.; Braunbarth, C.","Synthesis and structure determination of ETS-4 single crystals","Chemistry of Materials (1,1989-)","2001","13","","4247","4254","","","","","","","","","","","","","","","","","","","","","","has coordinates","147220","2020-10-21","18:00:00","" "4002325","23.19","","7.2259","","6.9699","","90","","90","","90","","1167.94","","","","","","","","","","","","","6","C m m m","-C 2 2","65","","Na0.5 Sr4 (Ti5 H1.5 Si12 O39) (H2 O)8.05","","- H17.6 Na0.5 O47.05 Si12 Sr4 Ti5 -","- Na0.5 O47.05 Si12 Sr4 Ti5 -","- Na0.5 O47.05 Si12 Sr4 Ti5 -","1","0.0625","","Nair, S.; Jeong, H.-K.; Chandrasekaran, A.; Tsapatsis, M.; Braunbarth, C.; Kuznicki, S.M.","Synthesis and structure determination of ETS-4 single crystals","Chemistry of Materials (1,1989-)","2001","13","","4247","4254","","","","","","","","","","","","","","","","","","","","","","has coordinates","147222","2020-10-21","18:00:00","" "4002326","12.736","","7.3392","","15.061","","90","","105.29","","90","","1357.95","","","","","","","","","","","","","4","C 1 c 1","C -2yc","9","","Rb2 (Ti Si6 O15)","","- O15 Rb2 Si6 Ti -","- O15 Rb2 Si6 Ti -","- O60 Rb8 Si24 Ti4 -","4","1","","Nyman, M.; Bonhomme, F.; Maxwell, R.S.; Nenoff, T.M.","First Rb silicotitanate phase and its K-structural analogue: new members of the SNL-A family (Cc - A2 Ti Si6 O15; A = K, Rb, Cs)","Chemistry of Materials (1,1989-)","2001","13","","4603","4611","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "4002327","12.57","","7.2534","","15.082","","90","","106.49","","90","","1318.55","","","","","","","","","","","","","4","C 1 c 1","C -2yc","9","","K2 (Ti Si6 O15)","","- K2 O15 Si6 Ti -","- K2 O15 Si6 Ti -","- K8 O60 Si24 Ti4 -","4","1","","Nyman, M.; Bonhomme, F.; Maxwell, R.S.; Nenoff, T.M.","First Rb silicotitanate phase and its K-structural analogue: new members of the SNL-A family (Cc - A2 Ti Si6 O15; A = K, Rb, Cs)","Chemistry of Materials (1,1989-)","2001","13","","4603","4611","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "4002328","4.122979","","4.122979","","18.65868","","90","","90","","90","","317.178","","","","","","","","","","","","","5","I 4/m m m","-I 4 2","139","","Sr2 (Mn0.996 Zn1.88 As2 O2)","","- As2 Mn0.996 O2 Sr2 Zn1.88 -","- As2 Mn0.996 O2 Sr2 Zn1.88 -","- As4 Mn1.992 O4 Sr4 Zn3.76 -","2","0.0625","","Ozawa, T.C.; Kauzlarich, S.M.; Gardner, J.S.; Wiebe, C.R.; Bieringer, M.; Greedan, J.E.","The effect of interlayer cations on the magnetic properties of the mixed-metal pnictide oxides: A2 Mn Zn2 As2 O2 (A = Sr, Ba)","Chemistry of Materials (1,1989-)","2001","13","","973","980","","","","","","","","","","","","","","","","","","","","","","has coordinates","147340","2020-10-21","18:00:00","" "4002329","6.61909","","6.83962","","7.5282","","105.773","","106.841","","111.632","","274.398","","","","","","","","","","","","","3","P -1","-P 1","2","","Na2 (Mn3 O7)","","- Mn3 Na2 O7 -","- Mn3 Na2 O7 -","- Mn6 Na4 O14 -","2","1","","Raekelboom, E.; Hector, A.L.; Owen, J.; Vitins, G.; Weller, M.T.","Syntheses, structures, and preliminary electrochemistry of the layered lithium and sodium manganese(IV) oxides, A2 Mn3 O7","Chemistry of Materials (1,1989-)","2001","13","","4618","4623","","","","","","","","","","","","","","","","","","","","","","has coordinates","147464","2020-10-21","18:00:00","" "4002330","8.58","","8.58","","5.788","","90","","90","","90","","426.092","","","","","","","","","","","","","3","P 4/n c c :2","-P 4a 2ac","130","","","","- Bi2.08 Cu0.84 O4 -","- Bi2.08 Cu0.84 O4 -","- Bi8.32 Cu3.36 O16 -","4","0.25","","Henry, N.; Mentre, O.; Boivin, J.C.; Abraham, F.","Local perturbation in Bi2 Cu O4: hydrothermal synthesis, crystal structure and characterization of the new Bi2 (Cu1-2x Mx) O4 (M = Bi, Pb)","Chemistry of Materials (1,1989-)","2001","13","","543","551","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00","" "4002331","8.535","","8.535","","5.812","","90","","90","","90","","423.382","","","","","","","","","","","","","4","P 4/n c c :2","-P 4a 2ac","130","","Bi2 Pb0.04 Cu0.92 O4","","- Bi2 Cu0.92 O4 Pb0.04 -","- Bi2 Cu0.92 O4 Pb0.04 -","- Bi8 Cu3.68 O16 Pb0.16 -","4","0.25","","Henry, N.; Boivin, J.C.; Mentre, O.; Abraham, F.","Local perturbation in Bi2 Cu O4: hydrothermal synthesis, crystal structure and characterization of the new Bi2 (Cu1-2x Mx) O4 (M = Bi, Pb)","Chemistry of Materials (1,1989-)","2001","13","","543","551","","","","","","","","","","","","","","","","","","","","","","has coordinates","147470","2020-10-21","18:00:00","" "4002332","3.8611","","3.8611","","12.4258","","90","","90","","90","","185.245","","","","","","","","","","","","","4","I 4/m m m","-I 4 2","139","","(La0.5 Sr1.5) (Mn O4)","","- La0.5 Mn O4 Sr1.5 -","- La0.5 Mn O4 Sr1.5 -","- La Mn2 O8 Sr3 -","2","0.0625","","Hong, C.S.; Lee, K.W.; Kim, W.S.; Hur, N.H.; Chi, E.O.; Lee, C.H.","Magnetic properties and structural evolution in Nd0.5 Sr1.5 Mn O4","Chemistry of Materials (1,1989-)","2001","13","","945","951","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "4002333","3.8362","","3.8362","","12.395","","90","","90","","90","","182.41","","","","","","","","","","","","","4","I 4/m m m","-I 4 2","139","","(Pr0.5 Sr1.5) (Mn O4)","","- Mn O4 Pr0.5 Sr1.5 -","- Mn O4 Pr0.5 Sr1.5 -","- Mn2 O8 Pr Sr3 -","2","0.0625","","Hong, C.S.; Chi, E.O.; Lee, K.W.; Hur, N.H.; Kim, W.S.; Lee, C.H.","Magnetic properties and structural evolution in Nd0.5 Sr1.5 Mn O4","Chemistry of Materials (1,1989-)","2001","13","","945","951","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "4002334","3.8311","","3.8311","","12.3685","","90","","90","","90","","181.537","","","","","","","","","","","","","4","I 4/m m m","-I 4 2","139","","(Nd0.5 Sr1.5) (Mn O4)","","- Mn Nd0.5 O4 Sr1.5 -","- Mn Nd0.5 O4 Sr1.5 -","- Mn2 Nd O8 Sr3 -","2","0.0625","","Hong, C.S.; Hur, N.H.; Chi, E.O.; Kim, W.S.; Lee, K.W.; Lee, C.H.","Magnetic properties and structural evolution in Nd0.5 Sr1.5 Mn O4","Chemistry of Materials (1,1989-)","2001","13","","945","951","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "4002335","4.849","","8.216","","28.317","","90","","90.52","","90","","1128.08","","","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Na Rb2 Al2 (P O4)3","","- Al2 Na O12 P3 Rb2 -","- Al2 Na O12 P3 Rb2 -","- Al8 Na4 O48 P12 Rb8 -","4","1","","Huang, Q.; Hwu, S.-J.","High-temperature synthesis of two new aluminophosphates, Na Rb2 Al2(P O4)3 and Na Cs2 Al (P O4)2 in molten alkali metal chloride media","Chemistry of Materials (1,1989-)","2001","13","","1794","1799","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "4002336","10.992","","9.192","","18.998","","90","","90.35","","90","","1919.49","","","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Na Cs2 Al (P O4)2","","- Al Cs2 Na O8 P2 -","- Al Cs2 Na O8 P2 -","- Al8 Cs16 Na8 O64 P16 -","8","2","","Huang, Q.; Hwu, S.-J.","High-temperature synthesis of two new aluminophosphates, Na Rb2 Al2(P O4)3 and Na Cs2 Al (P O4)2 in molten alkali metal chloride media","Chemistry of Materials (1,1989-)","2001","13","","1794","1799","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "4002337","13.4931","","4.1558","","24.876","","90","","96.571","","90","","1385.75","","","","","","","","","","","","","3","P 1 21/m 1","-P 2yb","11","","Rb2 Bi8 Se13","","- Bi8 Rb2 Se13 -","- Bi8 Rb2 Se13 -","- Bi16 Rb4 Se26 -","2","0.5","","Iordanidis, L.; Kyratsi, T.; Brazis, P.W.; Ireland, J.; Ghelani, N.; Kannewurf, C.R.; Lane, M.; Chen, W.; Uher, C.; Kanatzidis, M.G.; Hogan, T.; Dyck, J.S.","A2 Bi8 Se13 (A= Rb, Cs), Cs Bi3.67 Se6 and Ba Bi2 Se4: new ternary semiconducting bismuth selenides","Chemistry of Materials (1,1989-)","2001","13","","622","633","","","","","","","","","","","","","","","","","","","","","","has coordinates","147610","2020-10-21","18:00:00","" "4002338","13.704","","4.1532","","25.008","","90","","96.848","","90","","1413.19","","","","","","","","","","","","","3","P 1 21/m 1","-P 2yb","11","","Cs2 Bi8 Se13","","- Bi8 Cs2 Se13 -","- Bi8 Cs2 Se13 -","- Bi16 Cs4 Se26 -","2","0.5","","Iordanidis, L.; Brazis, P.W.; Kyratsi, T.; Ireland, J.; Lane, M.; Kannewurf, C.R.; Dyck, J.S.; Ghelani, N.; Chen, W.; Uher, C.; Hogan, T.; Kanatzidis, M.G.","A2 Bi8 Se13 (A= Rb, Cs), Cs Bi3.67 Se6 and Ba Bi2 Se4: new ternary semiconducting bismuth selenides","Chemistry of Materials (1,1989-)","2001","13","","622","633","","","","","","","","","","","","","","","","","","","","","","has coordinates","147612","2020-10-21","18:00:00","" "4002339","23.421","","4.1877","","13.71","","90","","90","","90","","1344.68","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","Cs Bi3.67 Se6","","- Bi3.67 Cs Se6 -","- Bi3.67 Cs Se6 -","- Bi14.68 Cs4 Se24 -","4","0.5","","Iordanidis, L.; Hogan, T.; Brazis, P.W.; Kanatzidis, M.G.; Kyratsi, T.; Ireland, J.; Uher, C.; Lane, M.; Chen, W.; Kannewurf, C.R.; Ghelani, N.; Dyck, J.S.","A2 Bi8 Se13 (A = Rb, Cs), Cs Bi3.67 Se6 and Ba Bi2 Se4: new ternary semiconducting bismuth selenides","Chemistry of Materials (1,1989-)","2001","13","","622","633","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "4002340","26.157","","26.157","","4.3245","","90","","90","","120","","2562.37","","","","","","","","","","","","","3","P 63/m","-P 6c","176","","","","- Ba1.073 Bi2 Se4 -","- Ba1.07267 Bi2 Se4 -","- Ba12.872 Bi24 Se48 -","12","1","","Iordanidis, L.; Brazis, P.W.; Kyratsi, T.; Kanatzidis, M.G.; Ireland, J.; Hogan, T.; Lane, M.; Kannewurf, C.R.; Chen, W.; Ghelani, N.; Dyck, J.S.; Uher, C.","A2 Bi8 Se13 (A = Rb, Cs), Cs Bi3.67 Se6 and Ba Bi2 Se4: new ternary semiconducting bismuth selenides","Chemistry of Materials (1,1989-)","2001","13","","622","633","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00","" "4002341","17.991","","6.648","","10.765","","90","","90","","90","","1287.54","","","","","","","","","","","","","4","P n 21 a","P -2ac -2n","33","","Na4 Mn3 (P O4)2 (P2 O7)","","- Mn3 Na4 O15 P4 -","- Mn3 Na4 O15 P4 -","- Mn12 Na16 O60 P16 -","4","1","","Sanz, F.; Parada, C.; Rojo, J.M.; Ruiz-Valero, C.","Synthesis, structural characterization, magnetic properties, and ionic conductivity of Na4 M(II)3 (P O4)2 (P2 O7) (M(II) = Mn, Co, Ni)","Chemistry of Materials (1,1989-)","2001","13","","1334","1340","","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00","" "4002342","9.5804","","9.5804","","2.8436","","90","","90","","90","","260.997","","","","","","","","","","","","","3","P 4/m b m","-P 4 2ab","127","","Sn Mo4 O6","","- Mo4 O6 Sn -","- Mo4 O6 Sn -","- Mo8 O12 Sn2 -","2","0.125","","Jung, D.; Kim, S.-J.; Lee, B.-H.; Kang, W.","Synthesis, characterization, and electronic structure of a new molybdenum bronze Sn Mo4 O6","Chemistry of Materials (1,1989-)","2001","13","","1625","1629","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "4002343","5.5073","","5.4936","","25.5095","","90","","90","","90","","771.787","","","","","","","","","","","","","5","A 21 a m","A -2 2a","36","","Pb0.81 Sr0.14 Bi2.05 Nb2 O9","","- Bi2.05 Nb2 O9 Pb0.81 Sr0.14 -","- Bi2.05 Nb2 O9 Pb0.81 Sr0.14 -","- Bi8.2 Nb8 O36 Pb3.24 Sr0.56 -","4","0.5","","Kennedy, B.J.; Hunter, B.A.","Cation disorder in Pb-doped Sr Bi2 Nb2 O9","Chemistry of Materials (1,1989-)","2001","13","","4612","4617","","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00","" "4002344","5.5066","","5.4966","","25.4567","","90","","90","","90","","770.513","","","","","","","","","","","","","5","A 21 a m","A -2 2a","36","","Pb0.75 Sr0.24 Bi2.01 Nb2 O9","","- Bi2.01 Nb2 O9 Pb0.75 Sr0.24 -","- Bi2.01 Nb2 O9 Pb0.75 Sr0.24 -","- Bi8.04 Nb8 O36 Pb3 Sr0.96 -","4","0.5","","Kennedy, B.J.; Hunter, B.A.","Cation disorder in Pb-doped Sr Bi2 Nb2 O9","Chemistry of Materials (1,1989-)","2001","13","","4612","4617","","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00","" "4002345","5.5067","","5.4985","","25.3852","","90","","90","","90","","768.628","","","","","","","","","","","","","5","A 21 a m","A -2 2a","36","","Pb0.62 Sr0.38 Bi2.01 Nb2 O9","","- Bi2.01 Nb2 O9 Pb0.62 Sr0.38 -","- Bi2.01 Nb2 O9 Pb0.62 Sr0.38 -","- Bi8.04 Nb8 O36 Pb2.48 Sr1.52 -","4","0.5","","Kennedy, B.J.; Hunter, B.A.","Cation disorder in Pb-doped Sr Bi2 Nb2 O9","Chemistry of Materials (1,1989-)","2001","13","","4612","4617","","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00","" "4002346","5.5074","","5.5034","","25.3326","","90","","90","","90","","767.817","","","","","","","","","","","","","5","A 21 a m","A -2 2a","36","","Pb0.49 Sr0.50 Bi2 Nb2 O9","","- Bi2 Nb2 O9 Pb0.49 Sr0.5 -","- Bi2 Nb2 O9 Pb0.49 Sr0.5 -","- Bi8 Nb8 O36 Pb1.96 Sr2 -","4","0.5","","Kennedy, B.J.; Hunter, B.A.","Cation disorder in Pb-doped Sr Bi2 Nb2 O9","Chemistry of Materials (1,1989-)","2001","13","","4612","4617","","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00","" "4002347","5.514","","5.5109","","25.28779","","90","","90","","90","","768.423","","","","","","","","","","","","","5","A 21 a m","A -2 2a","36","","Pb0.38 Sr0.63 Bi2.01 Nb2 O9","","- Bi2.01 Nb2 O9 Pb0.38 Sr0.63 -","- Bi2.01 Nb2 O9 Pb0.38 Sr0.63 -","- Bi8.04 Nb8 O36 Pb1.52 Sr2.52 -","4","0.5","","Kennedy, B.J.; Hunter, B.A.","Cation disorder in Pb-doped Sr Bi2 Nb2 O9","Chemistry of Materials (1,1989-)","2001","13","","4612","4617","","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00","" "4002348","5.5222","","5.5191","","25.24681","","90","","90","","90","","769.462","","","","","","","","","","","","","5","A 21 a m","A -2 2a","36","","Pb0.25 Sr0.76 Bi1.99 Nb2 O9","","- Bi1.99 Nb2 O9 Pb0.25 Sr0.76 -","- Bi1.99 Nb2 O9 Pb0.25 Sr0.76 -","- Bi7.96 Nb8 O36 Pb Sr3.04 -","4","0.5","","Kennedy, B.J.; Hunter, B.A.","Cation disorder in Pb-doped Sr Bi2 Nb2 O9","Chemistry of Materials (1,1989-)","2001","13","","4612","4617","","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00","" "4002349","5.5136","","5.511","","25.138","","90","","90","","90","","763.829","","","","","","","","","","","","","5","A 21 a m","A -2 2a","36","","Pb0.16 Sr0.855 Bi1.985 Nb2 O9","","- Bi1.985 Nb2 O9 Pb0.16 Sr0.855 -","- Bi1.985 Nb2 O9 Pb0.16 Sr0.855 -","- Bi7.94 Nb8 O36 Pb0.64 Sr3.42 -","4","0.5","","Kennedy, B.J.; Hunter, B.A.","Cation disorder in Pb-doped Sr Bi2 Nb2 O9","Chemistry of Materials (1,1989-)","2001","13","","4612","4617","","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00","" "4002350","7.371","","26.373","","8.827","","90","","106.777","","90","","1642.89","","","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(H0.6 (V O)3 (P O4)3 (H2 O)3) (H2 O)4","","- H14.6 O22 P3 V3 -","- H14.6 O22 P3 V3 -","- H58.4 O88 P12 V12 -","4","1","","Shpeizer, B.; Heysing, J.M.; Ouyang, X.; Clearfield, A.","Synthesis and crystal structure of a new vanadyl phosphate (H0.6 (V O)3 (P O4)3 (H2 O)3) * 4(H2 O) and its conversion to porous products","Chemistry of Materials (1,1989-)","2001","13","","2288","2296","","","","","","","","","","","","","","","","","","","","","","has coordinates","147848","2020-10-21","18:00:00","" "4002351","3.91038","","3.91038","","18.8342","","90","","90","","90","","287.995","","","","","","","","","","","","","5","P 4/m m m","-P 4 2","123","","Bi3 Pb2 Nb2 O11 Cl","","- Bi3 Cl Nb2 O11 Pb2 -","- Bi3 Cl Nb2 O11 Pb2 -","- Bi3 Cl Nb2 O11 Pb2 -","1","0.0625","","Kusainova, A.M.; Lightfoot, P.; Dolgikh, V.A.; Zhou, W.-Z.; Mosunov, A.V.; Stefanovich, S.Yu.","Ferroelectric properties and crystal structure of the layered intergrowth phase Bi3 Pb2 Nb2 O11 Cl","Chemistry of Materials (1,1989-)","2001","13","","4731","4737","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "4002352","8.7173","","8.5889","","4.9673","","90","","90","","90","","371.912","","","","","","","","","","","","","5","P n a 21","P 2c -2n","33","","(N H4) Be (P O4)","","- Be H4 N O4 P -","- Be H4 N O4 P -","- Be4 H16 N4 O16 P4 -","4","1","","Zhang, H.-Y.; Zhao, D.-Y.; Shi, Z.; Chen, M.-Q.; Zhou, Y.-M.; Xu, X.; Bu Xianhui","Hydrothermal synthesis of new pure beryllophosphate molecular sieve phases from concentrated amines","Chemistry of Materials (1,1989-)","2001","13","","2042","2048","","","","","","","","","","","","","","","","","","","","","","has coordinates","189075","2020-10-21","18:00:00","" "4002359","15.471","","7.239","","12.064","","90","","90","","90","","1351.1","","","","","","","","","","","","","5","I m 2 m","I -2 -2","44","","Cs3 ((U O2)3 O2 (O H)3)2 Cl (H2 O)3","","- Cl Cs3 H12 O25 U6 -","- Cl Cs3 O25 U6 -","- Cl2 Cs6 O50 U12 -","2","0.25","","Li, Y.-P.; Cahill, C.L.; Burns, P.C.","Synthesis, structural characterization and topological rearrangement of a novel open framework U-O material: (N H4)3 (H2 O)2 ((U O2)10 O10 (O H) ((U O4) (H2 O)2)","Chemistry of Materials (1,1989-)","2001","13","","4026","4041","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "4002560","10.431","","6.0947","","4.7366","","90","","90","","90","","301.124","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","Li Mn (P O4)","","- Li Mn O4 P -","- Li Mn O4 P -","- Li4 Mn4 O16 P4 -","4","0.5","","Garcia-Moreno, O.; Amador, U.; Alvarez-Vega, M.; Sanjuan, M.L.; Gallardo Amores, J.M.; Garcia-Jaca, J.; Garcia-Alvarado, F.","Influence of the structure on the electrochemical performance of lithium transition metal phosphates as cathodic materials in rechargeable lithium batteries: a new high-pressure form of Li M P O4 (M = Fe and Ni)","Chemistry of Materials (1,1989-)","2001","13","","1570","1576","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "4002652","6.5224","0.0005","6.5224","0.0005","7.7603","0.0008","90","","90","","90","","330.14","0.05","293","2","293","2","","","","","","","","4","I -4 2 m","I -4 2","121","","","","- Ge Li2 Pb S4 -","- Ge Li2 Pb S4 -","- Ge2 Li4 Pb2 S8 -","2","0.125","","Aitken, Jennifer A.; Larson, Paul; Mahanti, S. D.; Kanatzidis, Mercouri G.","Li~2~PbGeS~4~ and Li~2~EuGeS~4~: polar chalcopyrites with a severe tetragonal compression","Chemistry of Materials","2001","13","12","4714","4721","10.1021/cm0105357","","","0.71073","MoKα","","0.0253","0.0253","","","0.0646","0.0646","","","","","","1.114","","","","has coordinates","277940","2022-09-17","16:36:05","" "4025917","13.609","0.0004","13.59","0.0002","14.537","0.0004","90","","116.394","0.001","90","","2408.3","0.11","210","","210","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C45 H36 I4 N8 O12 U2 -","- C44 H36 Cu2 I4 N8 O12 -","- C88 H72 Cu4 I8 N16 O24 -","2","0.5","","Fedor Valach; Miroslav Tokarčík; Thierry Maris; David J. Watkin; Keith Prout","Bond-valence approach to the copper-copper and copper-nitrogen bonding in binuclear copper(II) complexes: Structure of tetrakis(2-iodobenzoato)bis(caffeine)dicopper(II) at 210 K","Journal of Organometallic Chemistry","2001","622","","166","171","10.1016/S0022-328X(00)00888-3","","","0.7107","MOKA","","","0.0533","","","","0.0389","","","","","","1.044","","","","has coordinates","176467","2020-10-21","18:00:00","" "4027820","8.95","","8.95","","8.95","","90","","90","","90","","716.917","","","","","","","","","","","","","4","P -4 3 n","P -4n 2 3","218","","(Ag3 (H2 O)4) (Al3 Si3 O12)","","- Ag3 Al3 O15 Si3 -","- Ag3 Al3 O15 Si3 -","- Ag6 Al6 O30 Si6 -","2","0.0833333","","Schneider, A.M.; Mandar, H.; Felsche, J.; Behrens, P.; Engelhardt, G.; Eiden-Assmann, S.","Silver hydrosodalite (Ag3 (H2 O)4)2 (Al3 Si3 O12)2: synthesis and structure determination by combination of X-ray refinement, thermogravimetry, FT-IR and (1)H-MAS NMR spectroscopy","European Journal of Inorganic Chemistry","2001","2001","","1527","1534","10.1002/1099-0682(200106)2001:6<1527::AID-EJIC1527>3.0.CO;2-F","","","","","","","","","","","","","","","","","","","","","has coordinates","178457","2020-10-21","18:00:00","" "4031213","10.308","","10.308","","10.308","","90","","90","","90","","1095.28","","","","","","","","","","","","","4","I -4 3 m","I -4 2 3","217","","(Ru (C O)3)4 Se4","","- C12 O12 Ru4 Se4 -","- C12 O12 Ru4 Se4 -","- C24 O24 Ru8 Se8 -","2","0.0416667","","Rupp, E.; Nowak, F.; Fiechter, S.; Reck, G.; Eyert, V.; Alonso-Vante, N.; Tributsch, H.","A new cubane-type Ru4 (C O)12 (mue3-Se)4 tetramer tailored for water photooxidation catalysis","European Journal of Inorganic Chemistry","2001","2001","","2489","2945","","","","","","","","","","","","","","","","","","","","","","has coordinates","147590","2020-10-21","18:00:00","" "4031214","13.9318","","13.9318","","17.7226","","90","","90","","120","","2979.01","","","","","","","","","","","","","3","R -3 :H","-R 3","148","","K2 In12 Se19","","- In12 K2 Se19 -","- In11.916 K1.92 Se18.923 -","- In35.748 K5.76 Se56.769 -","3","0.166667","","Schlosser, M.; Reiner, C.; Deiseroth, H.J.; Kienle, L.","K2 In12 Se19, a complex new structure type based on icosahedral units of Se(2-)","European Journal of Inorganic Chemistry","2001","2001","","2241","2247","","","","","","","","","","","","","","","","","","","","","","has coordinates","147678","2020-10-21","18:00:00","" "4031578","15.725","","10.526","","5.275","","90","","90","","90","","873.125","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","Cs (Pd2 Cl5)","","- Cl5 Cs Pd2 -","- Cl5 Cs Pd2 -","- Cl20 Cs4 Pd8 -","4","0.5","","Schuepp, B.; Keller, H.L.","Cs Pd2 Cl5 - a new structural type containing (1 infty)((Pd Cl3/2 Cl)2(-)) chains","European Journal of Inorganic Chemistry","2001","2001","","1431","1435","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "4031787","19.572","","14.849","","23.576","","90","","145.97","","90","","3834.43","","","","","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","(Ni (N H3)5)2 (Te4 (Re (C N)3)4) (H2 O)3.35","","- C12 H36.7 N22 Ni2 O3.35 Re4 Te4 -","- C12 H30 N22 Ni2 O3.35 Re4 Te4 -","- C48 H120 N88 Ni8 O13.4 Re16 Te16 -","4","1","","Mironov, Yu.V.; Simon, A.; Oeckler, O.; Fedorov, V.E.","New types of complexes based on Re4 chalcocyanide clusters - syntheses and crystal structures of (Ni (N H3)5)2 (Re4 Te4 (C N)12) * 3.4(H2 O) and (Cd (N H3)5) (Cd (N H3)3) (Re4 Te4 (C N)12) * 4(H2 O)","European Journal of Inorganic Chemistry","2001","2001","","2751","2753","","","","","","","","","","","","","","","","","","","","","","has coordinates","172852","2020-10-21","18:00:00","" "4031789","12.726","","13.408","","13.918","","111.31","","116.77","","90.17","","1935.28","","","","","","","","","","","","","7","P -1","-P 1","2","","(Cd (N H3)5) (Cd (N H3)3) (Te4 (Re (C N)3)4) (H2 O)4","","- C12 H32 Cd2 N20 O4 Re4 Te4 -","- C12 H24 Cd2 N20 O4 Re4 Te4 -","- C24 H48 Cd4 N40 O8 Re8 Te8 -","2","1","","Mironov, Yu.V.; Oeckler, O.; Simon, A.; Fedorov, V.E.","New types of complexes based on Re4 chalcocyanide clusters - syntheses and crystal structures of (Ni (N H3)5)2 (Re4 Te4 (C N)12) * 3.4(H2 O) and (Cd (N H3)5) (Cd (N H3)3) (Re4 Te4 (C N)12) * 4(H2 O)","European Journal of Inorganic Chemistry","2001","2001","","2751","2753","","","","","","","","","","","","","","","","","","","","","","has coordinates","173011","2020-10-21","18:00:00","" "4063189","7.897","0.002","8.115","0.002","13.434","0.003","80.04","0.02","74.95","0.02","61.56","0.02","729.7","0.3","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C15 H8 O5 Ru2 -","- C15 H8 O5 Ru2 -","- C30 H16 O10 Ru4 -","2","1","","A. J. Arce; Y. De Sanctis; E. Galarza; M. T. Garland; R. Gobetto; R. Machado; J. Manzur; A. Russo; E. Spodine; M. J. Stchedroff","Facile Changes in Bonding Modes of Azulene in Di- and Triruthenium Clusters upon Interaction with CO","Organometallics","2001","20","","359","362","10.1021/om000268z","","","0.71073","MoKα","","0.0351","0.023","","0.0582","0.0446","","","","1.08","1.064","1.064","","","","","has coordinates","178526","2020-10-21","18:00:00","" "4063190","12.781","0.0001","18.9967","0.0002","21.4222","0.0002","90","","90.375","0.006","90","","5201.13","0.08","163","1","163","1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C61 H54 Cl3 Os P3 -","- C61 H54 Cl3 Os P3 -","- C244 H216 Cl12 Os4 P12 -","4","1","","Walter Baratta; Eberhardt Herdtweck; Paolo Martinuzzi; Pierluigi Rigo","Carbon-Carbon Double Bond Formation from Two o-Methyl Groups in Osmium Phosphine Complexes","Organometallics","2001","20","","305","308","10.1021/om000593m","","","0.71073","MoKα","","0.0279","0.0242","","0.0671","","0.0658","","","1.074","","","1.118","","","","has coordinates","130149","2020-10-21","18:00:00","" "4063191","10.677","0.001","11.171","0.002","13.241","0.002","85.53","0.01","72.32","0.01","80.04","0.01","1481.5","0.4","200","0.2","200","0.2","","","","","","","","5","P -1","-P 1","2","","","","- C32 H41 Os P Si -","- C32 H20 Os P Si -","- C64 H40 Os2 P2 Si2 -","2","1","","Miguel Baya; Pascale Crochet; Miguel A. Esteruelas; Enrique Oñate","Generation of Functionally Substituted Cyclopentadienyl Ligands in Osmium(IV) Chemistry","Organometallics","2001","20","","240","253","10.1021/om000789m","","","0.71073","MoKα","","0.0499","0.0439","","","0.1181","0.124","","","","","","1.022","","","","has coordinates","178526","2020-10-21","18:00:00","" "4063192","12.345","0.002","20.975","0.002","13.932","0.002","90","","91.07","0.02","90","","3606.9","0.9","298","0.2","298","0.2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C38 H52 Ge N Os P -","- C38 H52 Ge N Os P -","- C152 H208 Ge4 N4 Os4 P4 -","4","1","","Miguel Baya; Pascale Crochet; Miguel A. Esteruelas; Enrique Oñate","Generation of Functionally Substituted Cyclopentadienyl Ligands in Osmium(IV) Chemistry","Organometallics","2001","20","","240","253","10.1021/om000789m","","","0.71073","MoKα","","0.0455","0.0317","","","0.0792","0.0875","","","","","","0.994","","","","has coordinates","178526","2020-10-21","18:00:00","" "4063199","12.619","0.002","14.62","0.003","14.805","0.003","90","","91.96","0.03","90","","2729.8","0.9","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C23 H37 Na O10 -","- C23 H37 Na O10 -","- C92 H148 Na4 O40 -","4","1","","Luigi Busetto; M. Cristina Cassani; Valerio Zanotti; Vincenzo G. Albano; Piera Sabatino","Coordination Chemistry of Cyclopentadienyl Ester-Disubstituted Ligands. Synthesis and Solid State Structures of [Na([18]-crown-6)][C5H3(CO2Et)2-1,2] and [Mn{C5H3(CO2Ph)2-1,2}(CO)3]","Organometallics","2001","20","","282","288","10.1021/om000662x","","","0.71073","MoKα","","0.2606","0.0854","","","0.2449","0.3071","","","","","","1.028","","","","has coordinates,has disorder","178526","2020-10-21","18:00:00","" "4063200","10.133","0.002","10.415","0.002","18.864","0.004","90","","103.94","0.03","90","","1932.2","0.7","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C22 H13 Mn O7 -","- C22 H13 Mn O7 -","- C88 H52 Mn4 O28 -","4","1","","Luigi Busetto; M. Cristina Cassani; Valerio Zanotti; Vincenzo G. Albano; Piera Sabatino","Coordination Chemistry of Cyclopentadienyl Ester-Disubstituted Ligands. Synthesis and Solid State Structures of [Na([18]-crown-6)][C5H3(CO2Et)2-1,2] and [Mn{C5H3(CO2Ph)2-1,2}(CO)3]","Organometallics","2001","20","","282","288","10.1021/om000662x","","","0.71073","MoKα","","0.1657","0.0536","","","0.1162","0.1426","","","","","","0.763","","","","has coordinates","178527","2020-10-21","18:00:00","" "4077173","14.112","0.007","14.793","0.009","15.233","0.01","90","","90","","90","","3180","3","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C10 H19 Fe N3 O4 Si -","- C10 H19 Fe N3 O4 Si -","- C80 H152 Fe8 N24 O32 Si8 -","8","1","","Braunstein, Pierre; Veith, Michael; Blin, Joël; Huch, Volker","New Mono- and Polynuclear Iron Silylene and Stannylene Complexes","Organometallics","2001","20","4","627","","10.1021/om000515z","","","0.71073","MoKα","","0.0464","0.0322","","","0.0737","0.0836","","","","","","1.065","","","","has coordinates","178660","2020-10-21","18:00:00","" "4077174","11.885","0.002","21.256","0.004","17.577","0.004","90","","100.62","0.03","90","","4364.4","1.5","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C39 H48 Fe O8 P2 Si Sn -","- C40 H40 Fe O7 P2 Si Sn -","- C160 H160 Fe4 O28 P8 Si4 Sn4 -","4","1","","Braunstein, Pierre; Veith, Michael; Blin, Joël; Huch, Volker","New Mono- and Polynuclear Iron Silylene and Stannylene Complexes","Organometallics","2001","20","4","627","","10.1021/om000515z","","","0.71073","MoKα","","0.1702","0.071","","","0.1766","0.2069","","","","","","0.881","","","","has coordinates","178660","2020-10-21","18:00:00","" "4077175","8.948","0.002","10.328","0.002","10.866","0.002","108.46","0.03","91.78","0.03","115.06","0.03","846.8","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H36 Fe2 O12 Sn2 -","- C24 H36 Fe2 O12 Sn2 -","- C24 H36 Fe2 O12 Sn2 -","1","0.5","","Braunstein, Pierre; Veith, Michael; Blin, Joël; Huch, Volker","New Mono- and Polynuclear Iron Silylene and Stannylene Complexes","Organometallics","2001","20","4","627","","10.1021/om000515z","","","0.71073","MoKα","","0.0265","0.0261","","","0.0705","0.0709","","","","","","1.133","","","","has coordinates","178660","2020-10-21","18:00:00","" "4077176","8.996","0.002","11.638","0.002","16.057","0.003","90","","92.13","0.03","90","","1679.9","0.6","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H36 Fe2 O12 Sn2 -","- C24 H36 Fe2 O12 Sn2 -","- C48 H72 Fe4 O24 Sn4 -","2","0.5","","Braunstein, Pierre; Veith, Michael; Blin, Joël; Huch, Volker","New Mono- and Polynuclear Iron Silylene and Stannylene Complexes","Organometallics","2001","20","4","627","","10.1021/om000515z","","","0.71073","MoKα","","0.0341","0.0281","","","0.0745","0.0799","","","","","","1.049","","","","has coordinates","178660","2020-10-21","18:00:00","" "4077177","12.6457","0.0008","14.0369","0.0009","16.6141","0.001","75.733","0.001","77.77","0.001","71.565","0.001","2682.6","0.3","200","2","200","2","","","","","","","","7","P -1","-P 1","2","","","","- C54 H28 B Cl2 F24 Mn O3 -","- C54 H28 B Cl2 F24 Mn O3 -","- C108 H56 B2 Cl4 F48 Mn2 O6 -","2","1","","Volland, Martin A. O.; Kudis, Steffen; Helmchen, Günter; Hyla-Kryspin, Isabella; Rominger, Frank; Gleiter, Rolf","Structure and Bonding Properties of the Complex (η5-Diphenylfulvene)Mn(CO)3+","Organometallics","2001","20","1","227","","10.1021/om000587q","","","0.71073","MoKα","","0.0889","0.0457","","","0.0983","0.1161","","","","","","1.008","","","","has coordinates,has disorder","178660","2020-10-21","18:00:00","" "4077178","19.8003","0.0003","7.0936","0.0001","27.0656","0.0002","90","","109.317","0.001","90","","3587.5","0.08","200","2","200","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C21 H15 Mn O4 -","- C21 H15 Mn O4 -","- C168 H120 Mn8 O32 -","8","1","","Volland, Martin A. O.; Kudis, Steffen; Helmchen, Günter; Hyla-Kryspin, Isabella; Rominger, Frank; Gleiter, Rolf","Structure and Bonding Properties of the Complex (η5-Diphenylfulvene)Mn(CO)3+","Organometallics","2001","20","1","227","","10.1021/om000587q","","","0.71073","MoKα","","0.037","0.031","","","0.0817","0.0851","","","","","","1.056","","","","has coordinates","178660","2020-10-21","18:00:00","" "4077179","11","0.001","30.312","0.003","9.833","0.001","90","","114.82","0.01","90","","2975.8","0.6","183","2","183","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H32 Fe2 Li2 O12 -","- C24 H32 Fe2 Li2 O12 -","- C96 H128 Fe8 Li8 O48 -","4","1","","Neumüller, Bernhard; Petz, Wolfgang","Reaction of Fe2(CO)9with Lithium: Preparation and Structures of Compounds with Strong Ion Pairing","Organometallics","2001","20","1","163","","10.1021/om000597r","","","0.71073","MoKα","","0.0935","0.0562","","","0.149","0.1707","","","","","","1.028","","","","has coordinates","178660","2020-10-21","18:00:00","" "4077180","9.982","0.001","12.998","0.002","23.862","0.003","90","","90","","90","","3096","0.7","193","2","193","2","","","","","","","","5","C m c a","-C 2ac 2","64","","","","- C24 H32 Fe2 Na2 O12 -","- C24 H32 Fe2 Na2 O12 -","- C96 H128 Fe8 Na8 O48 -","4","","","Neumüller, Bernhard; Petz, Wolfgang","Reaction of Fe2(CO)9with Lithium: Preparation and Structures of Compounds with Strong Ion Pairing","Organometallics","2001","20","1","163","","10.1021/om000597r","","","0.71073","MoKα","","0.131","0.0439","","","0.0665","0.0831","","","","","","0.791","","","","has coordinates","178660","2020-10-21","18:00:00","" "4077181","14.655","0.008","15.091","0.006","21.949","0.014","90","","92.93","0.05","90","","4848","5","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C55 H48 Cl N O3 P2 Ru -","- C55 H48 Cl N O3 P2 Ru -","- C220 H192 Cl4 N4 O12 P8 Ru4 -","4","1","","Ghosh, Kaushik; Chattopadhyay, Swarup; Pattanayak, Sujay; Chakravorty, Animesh","Alkyne Insertion into the Ru−C Bond of a Four-Membered Metallacycle. Insertion Rate and Reaction Pathway","Organometallics","2001","20","7","1419","","10.1021/om000649c","","","0.71073","MoKα","","0.1575","0.0795","","0.2407","0.1819","","","","1.031","1.089","1.089","","","","","has coordinates","178660","2020-10-21","18:00:00","" "4077182","5.2602","0.0002","6.199","0.0003","8.004","0.0003","103.818","0.001","98.718","0.001","100.192","0.001","244.258","0.018","123","2","123","2","","","","","","","commercial reagent","2","P -1","-P 1","2","","Hexamethylbenzene","","- C12 H18 -","- C12 H18 -","- C12 H18 -","1","0.5","","Le Maguères, P.; Lindeman, S. V.; Kochi, J. K.","Electron Redistribution of Aromatic Ligands in (Arene)Cr(CO)3Complexes. Structural (Bond-Length) Changes as Quantitative Measures","Organometallics","2001","20","1","115","","10.1021/om000658l","","","0.71073","MoKα","","0.0527","0.0469","","0.1781","0.133","","","","1.091","1.098","1.098","","","","","has coordinates","178660","2020-10-21","18:00:00","" "4077183","10.5037","0.0006","5.5865","0.0003","19.4","0.001","90","","92.563","0.001","90","","1137.23","0.11","123","2","123","2","","","","","","","chemical synthesis","2","C 1 2/c 1","-C 2yc","15","DMA","1,2,3,4,5,6,7,8-Octahydro-1,4:5,8-dimethanoanthracene","","- C16 H18 -","- C16 H18 -","- C64 H72 -","4","0.5","","Le Maguères, P.; Lindeman, S. V.; Kochi, J. K.","Electron Redistribution of Aromatic Ligands in (Arene)Cr(CO)3Complexes. Structural (Bond-Length) Changes as Quantitative Measures","Organometallics","2001","20","1","115","","10.1021/om000658l","","","0.71073","MoKα","","0.1439","0.0973","","0.3029","0.2285","","","","1.148","1.271","1.271","","","","","has coordinates","178660","2020-10-21","18:00:00","" "4077184","15.5421","0.0004","10.2264","0.0003","11.4845","0.0003","90","","100.692","0.001","90","","1793.65","0.08","123","2","123","2","","","","","","","chemical synthesis","2","P 1 21/c 1","-P 2ybc","14","","1,4:5,8:9,12-Triethyleno-1,2,3,4,5,6,7,8,9,10,11,12- dodecahydrotriphenylene","","- C24 H30 -","- C24 H30 -","- C96 H120 -","4","1","","Le Maguères, P.; Lindeman, S. V.; Kochi, J. K.","Electron Redistribution of Aromatic Ligands in (Arene)Cr(CO)3Complexes. Structural (Bond-Length) Changes as Quantitative Measures","Organometallics","2001","20","1","115","","10.1021/om000658l","","","0.71073","MoKα","","0.0879","0.055","","0.1447","0.1202","","","","1.093","1.081","1.081","","","","","has coordinates","201982","2020-10-21","18:00:00","" "4077185","11.459","0.002","7.003","0.001","9.985","0.002","90","","106.67","0.03","90","","767.6","0.3","93","2","93","2","","","","","","","chemical synthesis","2","C 1 2/m 1","-C 2y","12","OMB","1,2,3,4,5,6,7,8-Octamethylbiphenylene","","- C20 H24 -","- C20 H26 -","- C40 H52 -","2","0.25","","Le Maguères, P.; Lindeman, S. V.; Kochi, J. K.","Electron Redistribution of Aromatic Ligands in (Arene)Cr(CO)3Complexes. Structural (Bond-Length) Changes as Quantitative Measures","Organometallics","2001","20","1","115","","10.1021/om000658l","","","0.71073","MoKα","","0.1277","0.0628","","0.1932","0.1256","","","","0.425","0.859","0.859","","","","","has coordinates","178660","2020-10-21","18:00:00","" "4077186","5.8991","0.0001","22.0559","0.0005","8.3897","0.0002","90","","108.88","0.001","90","","1032.85","0.04","123","2","123","2","","","","","","","chemical synthesis","2","P 1 21/n 1","-P 2yn","14","","1,2,3,4,7,8,9,10-Octahydro-1,1,4,4,7,7,10,10-octamethylnaphthacene","","- C26 H36 -","- C26 H36 -","- C52 H72 -","2","0.5","","Le Maguères, P.; Lindeman, S. V.; Kochi, J. K.","Electron Redistribution of Aromatic Ligands in (Arene)Cr(CO)3Complexes. Structural (Bond-Length) Changes as Quantitative Measures","Organometallics","2001","20","1","115","","10.1021/om000658l","","","0.71073","MoKα","","0.0597","0.0478","","0.1347","0.1232","","","","1.079","1.093","1.093","","","","","has coordinates","178660","2020-10-21","18:00:00","" "4077187","5.8113","0.0001","8.5913","0.0002","14.4752","0.0001","85.457","0.001","89.104","0.001","77.373","0.001","703","0.02","123","2","123","2","","","","","","","","3","P -1","-P 1","2","","(anti)-9,10-Dimethoxy-1,2,3,4,5,6,7,8-Octahydro-1,4:5,8-dimethanoanthracene","","- C18 H22 O2 -","- C18 H22 O2 -","- C36 H44 O4 -","2","1","","Le Maguères, P.; Lindeman, S. V.; Kochi, J. K.","Electron Redistribution of Aromatic Ligands in (Arene)Cr(CO)3Complexes. Structural (Bond-Length) Changes as Quantitative Measures","Organometallics","2001","20","1","115","","10.1021/om000658l","","","0.71073","MoKα","","0.0614","0.0474","","0.1277","0.1114","","","","1.109","1.075","1.075","","","","","has coordinates","178660","2020-10-21","18:00:00","" "4077188","8.4582","0.0003","14.377","0.0005","9.9283","0.0003","90","","112.334","0.001","90","","1116.75","0.07","123","2","123","2","","","","","","","chemical synthesis","5","P 1 21/c 1","-P 2ybc","14","","(anti)-9,10-Dimethoxy-1,2,3,4,5,6,7,8-Octahydro-1,4:5,8-dimethanoanthracene hexachloroantimonate","","- C18 H22 Cl6 O2 Sb -","- C18 H22 Cl6 O2 Sb -","- C36 H44 Cl12 O4 Sb2 -","2","0.5","","Le Maguères, P.; Lindeman, S. V.; Kochi, J. K.","Electron Redistribution of Aromatic Ligands in (Arene)Cr(CO)3Complexes. Structural (Bond-Length) Changes as Quantitative Measures","Organometallics","2001","20","1","115","","10.1021/om000658l","","","0.71073","MoKα","","0.0263","0.02","","0.0452","0.0421","","","","0.897","0.99","0.99","","","","","has coordinates","178660","2020-10-21","18:00:00","" "4077189","13.5997","0.0005","13.2814","0.0005","15.1233","0.0006","90","","90","","90","","2731.62","0.18","93","2","93","2","","","","","","","chemical synthesis","4","P b c a","-P 2ac 2ab","61","","η^6^-Hexamethylbenzenechromium(0)tricarbonyl","","- C15 H18 Cr O3 -","- C15 H18 Cr O3 -","- C120 H144 Cr8 O24 -","8","1","","Le Maguères, P.; Lindeman, S. V.; Kochi, J. K.","Electron Redistribution of Aromatic Ligands in (Arene)Cr(CO)3Complexes. Structural (Bond-Length) Changes as Quantitative Measures","Organometallics","2001","20","1","115","","10.1021/om000658l","","","0.71073","MoKα","","0.0322","0.0254","","0.0874","0.0722","","","","1.011","1.028","1.028","","","","","has coordinates","178660","2020-10-21","18:00:00","" "4077190","9.879","0.0003","12.7753","0.0004","12.5201","0.0004","90","","104.85","0.01","90","","1527.35","0.11","123","2","123","2","","","","","","","chemical synthesis","4","P 1 21/c 1","-P 2ybc","14","","η^6^-1,2,3,4,5,6,7,8-Octahydro-1,4:5,8-dimethanoanthracene- chromium(0)tricarbonyl","","- C19 H18 Cr O3 -","- C19 H18 Cr O3 -","- C76 H72 Cr4 O12 -","4","1","","Le Maguères, P.; Lindeman, S. V.; Kochi, J. K.","Electron Redistribution of Aromatic Ligands in (Arene)Cr(CO)3Complexes. Structural (Bond-Length) Changes as Quantitative Measures","Organometallics","2001","20","1","115","","10.1021/om000658l","","","0.71073","MoKα","","0.1509","0.0759","","0.2002","0.1589","","","","1.021","1.082","1.082","","","","","has coordinates","178660","2020-10-21","18:00:00","" "4077191","13.6584","0.0003","15.5046","0.0003","10.0386","0.0002","90","","90","","90","","2125.85","0.08","123","2","123","2","","","","","","","chemical synthesis","4","P n m a","-P 2ac 2n","62","","η^6^-1,4:5,8:9,12-Triethyleno-1,2,3,4,5,6,7,8,9,10,11,12- dodecahydrotriphenylenechromium(0)tricarbonyl","","- C27 H30 Cr O3 -","- C27 H30 Cr O3 -","- C108 H120 Cr4 O12 -","4","0.5","","Le Maguères, P.; Lindeman, S. V.; Kochi, J. K.","Electron Redistribution of Aromatic Ligands in (Arene)Cr(CO)3Complexes. Structural (Bond-Length) Changes as Quantitative Measures","Organometallics","2001","20","1","115","","10.1021/om000658l","","","0.71073","MoKα","","0.0882","0.0481","","0.1165","0.0953","","","","1.085","1.103","1.103","","","","","has coordinates","178660","2020-10-21","18:00:00","" "4077192","9.2859","0.0005","12.5942","0.0007","16.1218","0.0009","90","","94.313","0.001","90","","1880.08","0.18","93","2","93","2","","","","","","","chemical synthesis","4","P 1 21/c 1","-P 2ybc","14","","η^^-1,2,3,4,5,6,7,8-Octamethylbiphenylenechromium(0)tricarbonyl","","- C23 H24 Cr O3 -","- C23 H24 Cr O3 -","- C92 H96 Cr4 O12 -","4","1","","Le Maguères, P.; Lindeman, S. V.; Kochi, J. K.","Electron Redistribution of Aromatic Ligands in (Arene)Cr(CO)3Complexes. Structural (Bond-Length) Changes as Quantitative Measures","Organometallics","2001","20","1","115","","10.1021/om000658l","","","0.71073","MoKα","","0.0618","0.0397","","0.1075","0.0903","","","","1.101","1.093","1.093","","","","","has coordinates","178660","2020-10-21","18:00:00","" "4077193","12.6747","0.0002","15.2089","0.0002","13.0697","0.0002","90","","90.544","0.001","90","","2519.31","0.06","123","2","123","2","","","","","","","chemical synthesis","4","P 1 21/n 1","-P 2yn","14","","η^6^-1,2,3,4,7,8,9,10-Octahydro-1,1,4,4,7,7,10,10-octamethylnaphthacene- chromium(0)tricarbonyl","","- C29 H36 Cr O3 -","- C29 H36 Cr O3 -","- C116 H144 Cr4 O12 -","4","1","","Le Maguères, P.; Lindeman, S. V.; Kochi, J. K.","Electron Redistribution of Aromatic Ligands in (Arene)Cr(CO)3Complexes. Structural (Bond-Length) Changes as Quantitative Measures","Organometallics","2001","20","1","115","","10.1021/om000658l","","","0.71073","MoKα","","0.1493","0.0625","","0.1509","0.116","","","","1","1.07","1.07","","","","","has coordinates","178660","2020-10-21","18:00:00","" "4077194","10.9954","0.0005","11.4633","0.0005","14.4954","0.0006","90","","91.072","0.001","90","","1826.73","0.14","123","2","123","2","","","","","","","chemical synthesis","4","P 1 21/n 1","-P 2yn","14","","η^6^-(anti)-9,10-Dimethoxy-1,2,3,4,5,6,7,8-Octahydro-1,4:5,8-dimethano- anthracenechromium(0)tricarbonyl","","- C21 H22 Cr O5 -","- C21 H22 Cr O5 -","- C84 H88 Cr4 O20 -","4","1","","Le Maguères, P.; Lindeman, S. V.; Kochi, J. K.","Electron Redistribution of Aromatic Ligands in (Arene)Cr(CO)3Complexes. Structural (Bond-Length) Changes as Quantitative Measures","Organometallics","2001","20","1","115","","10.1021/om000658l","","","0.71073","MoKα","","0.1437","0.0598","","0.1304","0.0976","","","","1.041","1.077","1.077","","","","","has coordinates","178660","2020-10-21","18:00:00","" "4077195","12.9243","0.0003","17.9474","0.0004","13.3904","0.0004","90","","100.09","0.001","90","","3057.97","0.13","123","2","123","2","","","","","","","chemical synthesis","6","C 1 2/c 1","-C 2yc","15","","Hexamethylbenzene Nitrosonium Hexafluorantimonate molecular complex 1:1","","- C12 H18 F6 N O Sb -","- C12 H18 F6 N O Sb -","- C96 H144 F48 N8 O8 Sb8 -","8","1","","Le Maguères, P.; Lindeman, S. V.; Kochi, J. K.","Electron Redistribution of Aromatic Ligands in (Arene)Cr(CO)3Complexes. Structural (Bond-Length) Changes as Quantitative Measures","Organometallics","2001","20","1","115","","10.1021/om000658l","","","0.71073","MoKα","","0.0434","0.0291","","0.0686","0.0608","","","","1.061","1.082","1.082","","","","","has coordinates,has disorder","178660","2020-10-21","18:00:00","" "4077196","8.0724","0.0002","17.2516","0.0004","15.0853","0.0003","90","","91.68","0.001","90","","2099.9","0.08","123","2","123","2","","","","","","","chemical synthesis","6","P 1 21/c 1","-P 2ybc","14","","1,2,3,4,5,6,7,8-Octahydro-1,4:5,8-anti-dimethanoanthracene/ nitrozonium hexachloroantimonate molecular complex 1:1","","- C16 H18 Cl6 N O Sb -","- C16 H18 Cl6 N O Sb -","- C64 H72 Cl24 N4 O4 Sb4 -","4","1","","Le Maguères, P.; Lindeman, S. V.; Kochi, J. K.","Electron Redistribution of Aromatic Ligands in (Arene)Cr(CO)3Complexes. Structural (Bond-Length) Changes as Quantitative Measures","Organometallics","2001","20","1","115","","10.1021/om000658l","","","0.71073","MoKα","","0.0309","0.0238","","0.0538","0.0494","","","","1.124","1.105","1.105","","","","","has coordinates","178660","2020-10-21","18:00:00","" "4077197","11.3172","0.0002","14.0532","0.0003","17.5608","0.0004","90","","101.967","0.001","90","","2732.22","0.1","123","2","123","2","","","","","","","chemical synthesis","6","P 1 21/c 1","-P 2ybc","14","","1,4:5,8:9,12-Triethyleno-1,2,3,4,5,6,7,8,9,10,11,12- dodecahydrotriphenylene / nitrozonium hexachloroantimonate molecular complex 1:1","","- C24 H30 Cl6 N O Sb -","- C24 H30 Cl6 N O Sb -","- C96 H120 Cl24 N4 O4 Sb4 -","4","1","","Le Maguères, P.; Lindeman, S. V.; Kochi, J. K.","Electron Redistribution of Aromatic Ligands in (Arene)Cr(CO)3Complexes. Structural (Bond-Length) Changes as Quantitative Measures","Organometallics","2001","20","1","115","","10.1021/om000658l","","","0.71073","MoKα","","0.0386","0.028","","0.0642","0.0567","","","","1.116","1.079","1.079","","","","","has coordinates,has disorder","178660","2020-10-21","18:00:00","" "4077198","12.7689","0.0003","13.098","0.0003","22.4779","0.0001","90","","90","","90","","3759.36","0.12","123","2","123","2","","","","","","","chemical synthesis","6","P 21 21 21","P 2ac 2ab","19","","1,2,3,4,7,8,9,10-octahydro-1,1,4,4,7,7,10,10-octamethylnaphthacene/ nitrozonium hexachloroantimonate molecular complex 1:1 dichloromethane disolvate","","- C28 H40 Cl10 N O Sb -","- C28 H40 Cl10 N0.99 O0.99 Sb -","- C112 H160 Cl40 N3.96 O3.96 Sb4 -","4","1","","Le Maguères, P.; Lindeman, S. V.; Kochi, J. K.","Electron Redistribution of Aromatic Ligands in (Arene)Cr(CO)3Complexes. Structural (Bond-Length) Changes as Quantitative Measures","Organometallics","2001","20","1","115","","10.1021/om000658l","","","0.71073","MoKα","","0.0962","0.0614","","0.1362","0.1127","","","","1.144","1.105","1.105","","","","","has coordinates,has disorder","178660","2020-10-21","18:00:00","" "4077199","8.8385","0.0001","20.9771","0.0002","12.7867","0.0001","90","","91.567","0.001","90","","2369.85","0.04","123","2","123","2","","","","","","","chemical synthesis","6","P 1 21 1","P 2yb","4","","9,10-Dimethoxy-1,2,3,4,5,6,7,8-octahydro-1,4:5,8-anti-dimethanoanthracene nitrozonium hexachloroantimonate complex","","- C18 H22 Cl6 N O3 Sb -","- C18 H22 Cl6 N O3 Sb -","- C72 H88 Cl24 N4 O12 Sb4 -","4","2","","Le Maguères, P.; Lindeman, S. V.; Kochi, J. K.","Electron Redistribution of Aromatic Ligands in (Arene)Cr(CO)3Complexes. Structural (Bond-Length) Changes as Quantitative Measures","Organometallics","2001","20","1","115","","10.1021/om000658l","","","0.71073","MoKα","","0.0459","0.0353","","0.0801","0.0739","","","","1.058","1.049","1.049","","","","","has coordinates","178660","2020-10-21","18:00:00","" "4077200","15.681","0.001","17.003","0.001","17.059","0.001","90","","90","","90","","4548.3","0.5","200","2","200","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C21 H33 Cl N Nb Si -","- C21 H33 Cl N Nb Si -","- C168 H264 Cl8 N8 Nb8 Si8 -","8","2","","Antiñolo, Antonio; López-Solera, Isabel; Orive, Irache; Otero, Antonio; Prashar, Sanjiv; Rodríguez, Ana M.; Villaseñor, Elena","Niobium and Zirconium Complexes Incorporating Asymmetrically SubstitutedansaLigands. X-ray Crystal Structures of [Me2Si(η5-C5Me4)(η5-C5H3R)]Nb(NtBu)Cl (R = Me,iPr) and [Me2Si(η5-C5Me4)(η5-C5H3R)]ZrCl2(R = H, Me)","Organometallics","2001","20","1","71","","10.1021/om0006662","","","0.71073","MoKα","","0.0862","0.0477","","","0.101","0.1129","","","","","","1.015","","","","has coordinates","178661","2020-10-21","18:00:00","" "4077201","12.155","0.001","14.58","0.001","14.857","0.001","90","","110.52","0.01","90","","2465.9","0.4","200","2","200","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C23 H37 Cl N Nb Si -","- C23 H37 Cl N Nb Si -","- C92 H148 Cl4 N4 Nb4 Si4 -","4","1","","Antiñolo, Antonio; López-Solera, Isabel; Orive, Irache; Otero, Antonio; Prashar, Sanjiv; Rodríguez, Ana M.; Villaseñor, Elena","Niobium and Zirconium Complexes Incorporating Asymmetrically SubstitutedansaLigands. X-ray Crystal Structures of [Me2Si(η5-C5Me4)(η5-C5H3R)]Nb(NtBu)Cl (R = Me,iPr) and [Me2Si(η5-C5Me4)(η5-C5H3R)]ZrCl2(R = H, Me)","Organometallics","2001","20","1","71","","10.1021/om0006662","","","0.71073","MoKα","","0.0514","0.0314","","","0.0696","0.0778","","","","","","1.047","","","","has coordinates","178661","2020-10-21","18:00:00","" "4077202","10.1068","0.0007","13.803","0.001","12.402","0.003","90","","90","","90","","1730.1","0.5","250","2","293","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C8 H11 Cl Si0.5 Zr0.5 -","- C8 H11 Cl Si0.5 Zr0.5 -","- C64 H88 Cl8 Si4 Zr4 -","8","1","","Antiñolo, Antonio; López-Solera, Isabel; Orive, Irache; Otero, Antonio; Prashar, Sanjiv; Rodríguez, Ana M.; Villaseñor, Elena","Niobium and Zirconium Complexes Incorporating Asymmetrically SubstitutedansaLigands. X-ray Crystal Structures of [Me2Si(η5-C5Me4)(η5-C5H3R)]Nb(NtBu)Cl (R = Me,iPr) and [Me2Si(η5-C5Me4)(η5-C5H3R)]ZrCl2(R = H, Me)","Organometallics","2001","20","1","71","","10.1021/om0006662","","","0.7107","MoKα","","0.081","0.0396","","","0.0752","0.098","","","","","","0.974","","","","has coordinates","176467","2020-10-21","18:00:00","" "4077203","10.626","0.008","13.839","0.003","12.47","0.008","90","","90","","90","","1833.8","1.9","250","2","293","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C8.5 H11.5 Cl Si0.5 Zr0.5 -","- C8.5 H11.5 Cl Si0.5 Zr0.5 -","- C68 H92 Cl8 Si4 Zr4 -","8","1","","Antiñolo, Antonio; López-Solera, Isabel; Orive, Irache; Otero, Antonio; Prashar, Sanjiv; Rodríguez, Ana M.; Villaseñor, Elena","Niobium and Zirconium Complexes Incorporating Asymmetrically SubstitutedansaLigands. X-ray Crystal Structures of [Me2Si(η5-C5Me4)(η5-C5H3R)]Nb(NtBu)Cl (R = Me,iPr) and [Me2Si(η5-C5Me4)(η5-C5H3R)]ZrCl2(R = H, Me)","Organometallics","2001","20","1","71","","10.1021/om0006662","","","0.7107","MoKα","","0.3153","0.0977","","","0.1614","0.2625","","","","","","0.832","","","","has coordinates","176467","2020-10-21","18:00:00","" "4077204","14.484","0.008","14.484","0.008","31.703","0.015","90","","90","","90","","6651","6","293","2","293","2","","","","","","","","5","I 41/a :2","-I 4ad","88","","","","- C33 H41 Fe2 Ga O4 -","- C33 H41 Fe2 Ga O4 -","- C264 H328 Fe16 Ga8 O32 -","8","0.5","","Yamaguchi, Takeshi; Ueno, Keiji; Ogino, Hiroshi","Synthesis and Structures of Mesitylgallylene-Bridged Diiron Complexes [Cp‘Fe(CO)]2(μ-CO)(μ-GaMes) (Cp‘ = η-C5Me5, η-C5H5; Mes = 2,4,6-Trimethylphenyl) and Kinetic Study of the Cis−Trans Isomerization of [(η-C5H5)Fe(CO)]2(μ-CO)(μ-GaMes)","Organometallics","2001","20","3","501","","10.1021/om000675a","","","0.71073","MoKα","","0.2371","0.0629","","","0.1087","0.1543","","","","","","0.933","","","","has coordinates","178661","2020-10-21","18:00:00","" "4077205","14.09","0.006","17.178","0.009","12.532","0.004","90","","99.59","0.03","90","","2991","2","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C32 H41 Fe2 Ga O3 -","- C32 H41 Fe2 Ga O3 -","- C128 H164 Fe8 Ga4 O12 -","4","0.5","","Yamaguchi, Takeshi; Ueno, Keiji; Ogino, Hiroshi","Synthesis and Structures of Mesitylgallylene-Bridged Diiron Complexes [Cp‘Fe(CO)]2(μ-CO)(μ-GaMes) (Cp‘ = η-C5Me5, η-C5H5; Mes = 2,4,6-Trimethylphenyl) and Kinetic Study of the Cis−Trans Isomerization of [(η-C5H5)Fe(CO)]2(μ-CO)(μ-GaMes)","Organometallics","2001","20","3","501","","10.1021/om000675a","","","0.71073","MoKα","","0.0451","0.0276","","","0.0674","0.0737","","","","","","1.021","","","","has coordinates","178661","2020-10-21","18:00:00","" "4077206","8.5605","0.0003","19.6762","0.0008","12.8157","0.0005","90","","106.46","0.003","90","","2070.19","0.14","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H21 Fe2 Ga O3 -","- C22 H21 Fe2 Ga O3 -","- C88 H84 Fe8 Ga4 O12 -","4","1","","Yamaguchi, Takeshi; Ueno, Keiji; Ogino, Hiroshi","Synthesis and Structures of Mesitylgallylene-Bridged Diiron Complexes [Cp‘Fe(CO)]2(μ-CO)(μ-GaMes) (Cp‘ = η-C5Me5, η-C5H5; Mes = 2,4,6-Trimethylphenyl) and Kinetic Study of the Cis−Trans Isomerization of [(η-C5H5)Fe(CO)]2(μ-CO)(μ-GaMes)","Organometallics","2001","20","3","501","","10.1021/om000675a","","","0.71073","MoKα","","0.0508","0.0382","","","0.1093","0.122","","","","","","1.142","","","","has coordinates","178661","2020-10-21","18:00:00","" "4077207","11.436","0.005","15.918","0.005","12.271","0.003","90","","99.79","0.03","90","","2201.3","1.3","295","","295","","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C36 H48 Br2 Mg2 O8 -","- C21 H27 Br Mg O4 -","- C84 H108 Br4 Mg4 O16 -","4","0.5","","Yang, Kuo-Ching; Chang, Chung-Cheng; Yeh, Charng-Sheng; Lee, Gene-Hsiang; Peng, Shie-Ming","Steric and Solvent Effects on the CO2Fixation of Magnesium Compounds","Organometallics","2001","20","1","126","","10.1021/om000735c","","","0.71073","MolybdenumKα","","0.073","0.039","","0.06","0.038","","","","","2.14","2.14","","","","","has coordinates","176467","2020-10-21","18:00:00","" "4077208","24.5444","0.0005","11.5108","0.0001","18.7256","0.0004","90","","91.101","0.001","90","","5289.49","0.16","200","2","200","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C36 H78 Mg3 N6 O14 P2 -","- C36 H78 Mg3 N6 O14 P2 -","- C144 H312 Mg12 N24 O56 P8 -","4","0.5","","Yang, Kuo-Ching; Chang, Chung-Cheng; Yeh, Charng-Sheng; Lee, Gene-Hsiang; Peng, Shie-Ming","Steric and Solvent Effects on the CO2Fixation of Magnesium Compounds","Organometallics","2001","20","1","126","","10.1021/om000735c","","","0.71073","MoKα","","0.09","0.0594","","0.1708","0.1536","","","","1.019","1.111","1.111","","","","","has coordinates","178661","2020-10-21","18:00:00","" "4077209","9.4391","0.0003","11.0815","0.0004","23.5656","0.0008","90","","91.777","0.001","90","","2463.76","0.15","150","1","150","1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C30 H72 Mg3 N12 O14 P2 -","- C30 H72 Mg3 N12 O14 P2 -","- C60 H144 Mg6 N24 O28 P4 -","2","0.5","","Yang, Kuo-Ching; Chang, Chung-Cheng; Yeh, Charng-Sheng; Lee, Gene-Hsiang; Peng, Shie-Ming","Steric and Solvent Effects on the CO2Fixation of Magnesium Compounds","Organometallics","2001","20","1","126","","10.1021/om000735c","","","0.71073","MoKα","","0.0659","0.0545","","0.1623","0.1534","","","","1.09","1.132","1.132","","","","","has coordinates","178661","2020-10-21","18:00:00","" "4077210","20.948","0.0003","25.1843","0.0001","16.2816","0.0001","90","","90","","90","","8589.53","0.14","295","2","295","2","","","","","","","","5","C c c a :2","-C 2a 2ac","68","","","","- C60 H120 Mg6 N12 O24 -","- C60 H120 Mg6 N12 O24 -","- C240 H480 Mg24 N48 O96 -","4","0.25","","Yang, Kuo-Ching; Chang, Chung-Cheng; Yeh, Charng-Sheng; Lee, Gene-Hsiang; Peng, Shie-Ming","Steric and Solvent Effects on the CO2Fixation of Magnesium Compounds","Organometallics","2001","20","1","126","","10.1021/om000735c","","","0.71073","MoKα","","0.1054","0.0566","","0.185","0.1593","","","","0.953","1.136","1.136","","","","","has coordinates","178661","2020-10-21","18:00:00","" "4077211","15.4528","0.0006","15.5306","0.0006","16.7324","0.0006","103.826","0.001","103.406","0.001","109.074","0.001","3468.7","0.2","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C160 H128 Mg6 N12 O25 -","- C160 H120 Mg6 N12 O25 -","- C160 H120 Mg6 N12 O25 -","1","0.5","","Yang, Kuo-Ching; Chang, Chung-Cheng; Yeh, Charng-Sheng; Lee, Gene-Hsiang; Peng, Shie-Ming","Steric and Solvent Effects on the CO2Fixation of Magnesium Compounds","Organometallics","2001","20","1","126","","10.1021/om000735c","","","0.71073","MoKα","","0.1422","0.099","","0.3111","0.2721","","","","1.062","1.161","1.161","","","","","has coordinates","178661","2020-10-21","18:00:00","" "4077212","10.7465","0.0002","18.7006","0.0003","18.1833","0.0002","90","","95.741","0.001","90","","3635.9","0.1","150","1","150","1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C68 H84 Mg2 N10 O11 P2 -","- C68 H84 Mg2 N10 O11 P2 -","- C136 H168 Mg4 N20 O22 P4 -","2","0.5","","Yang, Kuo-Ching; Chang, Chung-Cheng; Yeh, Charng-Sheng; Lee, Gene-Hsiang; Peng, Shie-Ming","Steric and Solvent Effects on the CO2Fixation of Magnesium Compounds","Organometallics","2001","20","1","126","","10.1021/om000735c","","","0.71073","MoKα","","0.0793","0.0599","","0.1689","0.157","","","","1.05","1.1","1.1","","","","","has coordinates,has disorder","178661","2020-10-21","18:00:00","" "4077213","14.8404","0.0003","22.4052","0.0005","31.4608","0.0006","90","","96.481","0.001","90","","10393.9","0.4","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C82 H164 Mg6 N10 O24 -","- C82 H164 Mg6 N10 O24 -","- C328 H656 Mg24 N40 O96 -","4","1","","Yang, Kuo-Ching; Chang, Chung-Cheng; Yeh, Charng-Sheng; Lee, Gene-Hsiang; Peng, Shie-Ming","Steric and Solvent Effects on the CO2Fixation of Magnesium Compounds","Organometallics","2001","20","1","126","","10.1021/om000735c","","","0.71073","MoKα","","0.1244","0.0627","","0.1782","0.1434","","","","1.059","1.159","1.159","","","","","has coordinates","178661","2020-10-21","18:00:00","" "4077214","16.6733","0.0003","23.0033","0.0004","27.189","0.0002","90","","92.876","0.001","90","","10415","0.3","150","1","150","1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C76 H156 Mg5 N14 O21 P2 -","- C76 H156 Mg5 N14 O21 P2 -","- C304 H624 Mg20 N56 O84 P8 -","4","1","","Yang, Kuo-Ching; Chang, Chung-Cheng; Yeh, Charng-Sheng; Lee, Gene-Hsiang; Peng, Shie-Ming","Steric and Solvent Effects on the CO2Fixation of Magnesium Compounds","Organometallics","2001","20","1","126","","10.1021/om000735c","","","0.71073","MoKα","","0.108","0.0791","","0.2045","0.1864","","","","1.045","1.104","1.104","","","","","has coordinates,has disorder","178661","2020-10-21","18:00:00","" "4077215","11.667","0.0012","15.686","0.0014","15.029","0.001","90","","100.4","0.006","90","","2705.3","0.4","293","","293","","","","","","","","see paper","4","P 1 21/c 1","-P 2ybc","14","","(μ^2^-η^1^,η^2^-ethynyl)(μ^2^-allyl)-bis(triphenylphosphine)-di- palladium(i)","","- C23 H48 P2 Pd2 -","- C23 H48 P2 Pd2 -","- C92 H192 P8 Pd8 -","4","1","","Krause, Jochen; Goddard, Richard; Mynott, Richard; Pörschke, Klaus-Richard","A Dinuclear Palladium(I) Ethynyl Complex: Synthesis, Structure, and Dynamics","Organometallics","2001","20","10","1992","","10.1021/om000765f","","","0.71069","MoKα","","0.0503","0.0349","","","0.0812","0.0877","","","","","","1.022","","","","has coordinates,has disorder","178661","2020-10-21","18:00:00","" "4077216","11.004","0.004","14.024","0.004","14.149","0.004","90","","107.64","0.02","90","","2080.8","1.2","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C20 H36 Mo Ru -","- C20 H36 Mo Ru -","- C80 H144 Mo4 Ru4 -","4","1","","Shima, Takanori; Ito, Jun-ichi; Suzuki, Hiroharu","Synthesis, Characterization, and Structure Determination of the Heterobimetallic Polyhydride Complexes (C5Me5)Ru(μ-H)3MH3(C5Me5) (M = Mo, W) Containing Group VI and Group VIII Metals","Organometallics","2001","20","1","10","","10.1021/om000769k","","","0.71069","MoKα","","0.0387","0.0366","","","0.0904","0.0926","","","","","","1.105","","","","has coordinates","178661","2020-10-21","18:00:00","" "4077217","8.07","0.003","19.196","0.005","14.32","0.004","90","","101.14","0.03","90","","2176.5","1.2","296.2","","296.2","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C20 H36 Ru W -","- C22 H6 Ru W -","- C88 H24 Ru4 W4 -","4","1","","Shima, Takanori; Ito, Jun-ichi; Suzuki, Hiroharu","Synthesis, Characterization, and Structure Determination of the Heterobimetallic Polyhydride Complexes (C5Me5)Ru(μ-H)3MH3(C5Me5) (M = Mo, W) Containing Group VI and Group VIII Metals","Organometallics","2001","20","1","10","","10.1021/om000769k","","","0.7107","MoKα","","","0.0391","","","0.0472","","","","","2.339","2.339","","","","","has coordinates","176467","2020-10-21","18:00:00","" "4077218","9.414","0.002","11.173","0.002","16.567","0.002","106.97","0.01","94.32","0.01","99.98","0.02","1626.7","0.5","296.2","","296.2","","","","","","","","","4","P -1","-P 1","2","","","","- C38 H34 Au2 P2 -","- C38 H34 Au2 P2 -","- C76 H68 Au4 P4 -","2","1","","Bennett, Martin A.; Hockless, David C. R.; Rae, A. David; Welling, Lee L.; Willis, Anthony C.","Carbon−Carbon Coupling in Dinuclear Cycloaurated Complexes Containing Bridging 2-(Diphenylphosphino)phenyl or 2-(Diethylphosphino)phenyl. Role of the Axial Ligand and the Fine Balance between Gold(II)−Gold(II) and Gold(I)−Gold(III)","Organometallics","2001","20","1","79","","10.1021/om000773w","","","1.5418","CuKα","","","0.035","","","","0.047","","","","","","3.79","","","","has coordinates","176467","2020-10-21","18:00:00","" "4077219","11.856","0.003","15.33","0.004","23.551","0.005","90","","94.34","0.02","90","","4268.2","1.8","293.2","","293.2","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C48 H28 Au2 F10 P2 -","- C48 H28 Au2 F10 P2 -","- C192 H112 Au8 F40 P8 -","4","1","","Bennett, Martin A.; Hockless, David C. R.; Rae, A. David; Welling, Lee L.; Willis, Anthony C.","Carbon−Carbon Coupling in Dinuclear Cycloaurated Complexes Containing Bridging 2-(Diphenylphosphino)phenyl or 2-(Diethylphosphino)phenyl. Role of the Axial Ligand and the Fine Balance between Gold(II)−Gold(II) and Gold(I)−Gold(III)","Organometallics","2001","20","1","79","","10.1021/om000773w","","","0.7107","MoKα","","","0.0323","","","","0.0284","","","","","","1.097","","","","has coordinates","176467","2020-10-21","18:00:00","" "4077220","16.588","0.006","12.275","0.005","21.166","0.004","90","","90.76","0.02","90","","4309","2","296.2","","296.2","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C48 H28 Au2 F10 P2 -","- C48 H28 Au2 F10 P2 -","- C192 H112 Au8 F40 P8 -","4","1","","Bennett, Martin A.; Hockless, David C. R.; Rae, A. David; Welling, Lee L.; Willis, Anthony C.","Carbon−Carbon Coupling in Dinuclear Cycloaurated Complexes Containing Bridging 2-(Diphenylphosphino)phenyl or 2-(Diethylphosphino)phenyl. Role of the Axial Ligand and the Fine Balance between Gold(II)−Gold(II) and Gold(I)−Gold(III)","Organometallics","2001","20","1","79","","10.1021/om000773w","","","0.7107","MoKα","","0.1583","0.0381","","0.0329","","0.0244","","","1.291","","","1.485","","","","has coordinates","176467","2020-10-21","18:00:00","" "4077221","18.403","0.001","8.322","0.002","22.104","0.002","90","","90.314","0.006","90","","3385.2","0.9","296.2","","296.2","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C32 H28 Au2 F10 P2 -","- C32 H28 Au2 F10 P2 -","- C128 H112 Au8 F40 P8 -","4","0.5","","Bennett, Martin A.; Hockless, David C. R.; Rae, A. David; Welling, Lee L.; Willis, Anthony C.","Carbon−Carbon Coupling in Dinuclear Cycloaurated Complexes Containing Bridging 2-(Diphenylphosphino)phenyl or 2-(Diethylphosphino)phenyl. Role of the Axial Ligand and the Fine Balance between Gold(II)−Gold(II) and Gold(I)−Gold(III)","Organometallics","2001","20","1","79","","10.1021/om000773w","","","1.5418","CuKα","","0.0529","0.0294","","0.0391","","0.035","","","1.352","","","1.448","","","","has coordinates","176467","2020-10-21","18:00:00","" "4077222","18.534","0.006","21.93","0.006","22.122","0.001","90","","93.04","0.02","90","","8979","4","296.2","","296.2","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C50.25 H32.5 Au2 F10 O0.75 P2 -","- C48 H28 Au2 F10 P2 -","- C384 H224 Au16 F80 P16 -","8","2","","Bennett, Martin A.; Hockless, David C. R.; Rae, A. David; Welling, Lee L.; Willis, Anthony C.","Carbon−Carbon Coupling in Dinuclear Cycloaurated Complexes Containing Bridging 2-(Diphenylphosphino)phenyl or 2-(Diethylphosphino)phenyl. Role of the Axial Ligand and the Fine Balance between Gold(II)−Gold(II) and Gold(I)−Gold(III)","Organometallics","2001","20","1","79","","10.1021/om000773w","","","1.5418","CuKα","","0.104","0.054","","0.212","","0.074","","","3.33","","","1.49","","","","has coordinates","176467","2020-10-21","18:00:00","" "4077223","9.685","0.003","23.091","0.007","11.999","0.004","90","","99.86","0.03","90","","2643.8","1.5","296.2","","296.2","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C22 H28 Au2 N2 P2 S2 -","- C22 H26.305 Au2 N2 P2 S2 -","- C88 H105.22 Au8 N8 P8 S8 -","4","1","","Bennett, Martin A.; Hockless, David C. R.; Rae, A. David; Welling, Lee L.; Willis, Anthony C.","Carbon−Carbon Coupling in Dinuclear Cycloaurated Complexes Containing Bridging 2-(Diphenylphosphino)phenyl or 2-(Diethylphosphino)phenyl. Role of the Axial Ligand and the Fine Balance between Gold(II)−Gold(II) and Gold(I)−Gold(III)","Organometallics","2001","20","1","79","","10.1021/om000773w","","","0.7107","MoKα","","0.0981","0.0461","","0.0509","","0.0423","","","1.484","","","1.66","","","","has coordinates","176467","2020-10-21","18:00:00","" "4077224","27.071","0.004","14.322","0.002","14.151","0.003","90","","113.272","0.009","90","","5040.1","1.5","295","2","295","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C17 H28 B10 Br P Sn -","- C17 H28 B10 Br P Sn -","- C136 H224 B80 Br8 P8 Sn8 -","8","1","","Lee, Taegweon; Lee, Soon W.; Jang, Ho G.; Kang, Sang Ook; Ko, Jaejung","Synthesis and Reactivity of Organotin Compounds Containing the C,P-Chelatingo-Carboranylphosphino Ligand [o-C2B10H10PPh2-C,P](CabC,P). X-ray Structures of (CabC,CH2P)SnMe2Br, [(CabC,P)SnMe2]2Pd, and [(CabC,P)SnMe2]Pd(PEt3)Cl","Organometallics","2001","20","4","741","","10.1021/om0007872","","","0.71073","MoKα","","0.0425","0.0358","","","0.0912","0.0955","","","","","","1.038","","","","has coordinates","178661","2020-10-21","18:00:00","" "4077225","12.1059","0.001","16.056","0.002","23.321","0.002","90","","95.077","0.007","90","","4515.2","0.8","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C32 H52 B20 P2 Pd Sn2 -","- C32 H52 B20 P2 Pd Sn2 -","- C128 H208 B80 P8 Pd4 Sn8 -","4","1","","Lee, Taegweon; Lee, Soon W.; Jang, Ho G.; Kang, Sang Ook; Ko, Jaejung","Synthesis and Reactivity of Organotin Compounds Containing the C,P-Chelatingo-Carboranylphosphino Ligand [o-C2B10H10PPh2-C,P](CabC,P). X-ray Structures of (CabC,CH2P)SnMe2Br, [(CabC,P)SnMe2]2Pd, and [(CabC,P)SnMe2]Pd(PEt3)Cl","Organometallics","2001","20","4","741","","10.1021/om0007872","","","0.71073","MoKα","","0.045","0.0343","","","0.0836","0.0925","","","","","","1.099","","","","has coordinates","178661","2020-10-21","18:00:00","" "4077226","12.8395","0.001","15.0348","0.0015","17.2473","0.0013","90","","90","","90","","3329.4","0.5","295","2","295","2","","","","","","","","7","P n m a","-P 2ac 2n","62","","","","- C22 H31 B10 Cl P2 Pd Sn -","- C22 H31 B10 Cl P2 Pd Sn -","- C88 H124 B40 Cl4 P8 Pd4 Sn4 -","4","0.5","","Lee, Taegweon; Lee, Soon W.; Jang, Ho G.; Kang, Sang Ook; Ko, Jaejung","Synthesis and Reactivity of Organotin Compounds Containing the C,P-Chelatingo-Carboranylphosphino Ligand [o-C2B10H10PPh2-C,P](CabC,P). X-ray Structures of (CabC,CH2P)SnMe2Br, [(CabC,P)SnMe2]2Pd, and [(CabC,P)SnMe2]Pd(PEt3)Cl","Organometallics","2001","20","4","741","","10.1021/om0007872","","","0.71073","MoKα","","0.0613","0.0462","","","0.1167","0.1264","","","","","","1.061","","","","has coordinates","178661","2020-10-21","18:00:00","" "4077227","9.8686","0.0015","18.51","0.003","27.427","0.004","90","","90","","90","","5010","1.3","193","2","193","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C31 H33 N2 Ti -","- C31 H33 N2 Ti -","- C248 H264 N16 Ti8 -","8","1","","Greidanus, Grace; McDonald, Robert; Stryker, Jeffrey M.","Crystallographic Investigation of Substituted Allyl and Titanacyclobutane Complexes of Bis(2-N,N-dialkylaminoindenyl)titanium. Structure and Reactivity as a Function of the Dialkylamino Substituents","Organometallics","2001","20","12","2492","","10.1021/om000799n","","","0.71073","MoKα","","0.2104","0.0772","","","0.1721","0.2241","","","","","","0.837","","","","has coordinates","178661","2020-10-21","18:00:00","" "4077228","28.79","0.004","8.1016","0.0012","20.223","0.003","90","","111.707","0.003","90","","4382.4","1.1","193","2","193","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C26 H31 N2 Ti -","- C26 H31 N2 Ti -","- C208 H248 N16 Ti8 -","8","1","","Greidanus, Grace; McDonald, Robert; Stryker, Jeffrey M.","Crystallographic Investigation of Substituted Allyl and Titanacyclobutane Complexes of Bis(2-N,N-dialkylaminoindenyl)titanium. Structure and Reactivity as a Function of the Dialkylamino Substituents","Organometallics","2001","20","12","2492","","10.1021/om000799n","","","0.71073","MoKα","","0.0983","0.0451","","","0.0866","0.0999","","","","","","0.882","","","","has coordinates,has disorder","178661","2020-10-21","18:00:00","" "4077229","16.006","0.0015","11.6875","0.0012","17.1235","0.0015","90","","109.233","0.0019","90","","3024.5","0.5","193","2","193","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C30 H40 Cl2 Li N2 O2 Ti -","- C30 H40 Cl2 Li N2 O2 Ti -","- C120 H160 Cl8 Li4 N8 O8 Ti4 -","4","0.5","","Greidanus, Grace; McDonald, Robert; Stryker, Jeffrey M.","Crystallographic Investigation of Substituted Allyl and Titanacyclobutane Complexes of Bis(2-N,N-dialkylaminoindenyl)titanium. Structure and Reactivity as a Function of the Dialkylamino Substituents","Organometallics","2001","20","12","2492","","10.1021/om000799n","","","0.71073","MoKα","","0.0549","0.0411","","","0.1033","0.1104","","","","","","1.039","","","","has coordinates","178661","2020-10-21","18:00:00","" "4077230","11.6351","0.0008","12.5204","0.0008","11.7615","0.0008","83.0481","0.0013","88.1276","0.0012","72.792","0.0013","1624.63","0.19","193","2","193","2","","","","","","","","4","P -1","-P 1","2","","","","- C40 H48 N2 Ti -","- C40 H48 N2 Ti -","- C80 H96 N4 Ti2 -","2","1","","Greidanus, Grace; McDonald, Robert; Stryker, Jeffrey M.","Crystallographic Investigation of Substituted Allyl and Titanacyclobutane Complexes of Bis(2-N,N-dialkylaminoindenyl)titanium. Structure and Reactivity as a Function of the Dialkylamino Substituents","Organometallics","2001","20","12","2492","","10.1021/om000799n","","","0.71073","MoKα","","0.0903","0.0482","","","0.095","0.107","","","","","","0.887","","","","has coordinates","178661","2020-10-21","18:00:00","" "4077232","10.223","0.005","10.936","0.003","18.195","0.006","90","","101.57","0.04","90","","1992.8","1.3","223","2","223","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C19 H31 B F4 -","- C19 H31 B F4 -","- C76 H124 B4 F16 -","4","1","","Tamm, Matthias; Bannenberg, Thomas; Dressel, Bernd; Fröhlich, Roland; Kunz, Doris","Molybdenum Complexes with Sterically Demanding Cycloheptatrienyl Ligands","Organometallics","2001","20","5","900","","10.1021/om000830l","","","1.54178","CuKα","","0.1625","0.0567","","","0.141","0.1694","","","","","","0.94","","","","has coordinates","178661","2020-10-21","18:00:00","" "4077233","10.892","0.001","11.195","0.001","13.359","0.001","85.04","0.01","72.54","0.01","64.09","0.01","1395.8","0.3","198","2","198","2","","","","","","","","7","P -1","-P 1","2","","","","- C23 H33 B Cl2 F4 Mo O3 -","- C23 H33 B Cl2 F4 Mo O3 -","- C46 H66 B2 Cl4 F8 Mo2 O6 -","2","1","","Tamm, Matthias; Bannenberg, Thomas; Dressel, Bernd; Fröhlich, Roland; Kunz, Doris","Molybdenum Complexes with Sterically Demanding Cycloheptatrienyl Ligands","Organometallics","2001","20","5","900","","10.1021/om000830l","","","0.71073","MoKα","","0.0418","0.038","","","0.0963","0.0996","","","","","","1.046","","","","has coordinates","178661","2020-10-21","18:00:00","" "4077234","25.3238","0.0001","27.1937","0.0003","17.9387","0.0001","90","","90.407","0.001","90","","12353.1","0.16","293","2","293","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C112 H115 Br4 Cl9 Fe2 N4 P4 Pd4 -","- C112 H115 Br4 Cl9 Fe2 N4 P4 Pd4 -","- C448 H460 Br16 Cl36 Fe8 N16 P16 Pd16 -","4","0.5","","López-Torres, Margarita; Fernández, Alberto; Fernández, Jesús J.; Suárez, Antonio; Castro-Juiz, Samuel; Vila, José M.; Pereira, M. Teresa","Cyclometalated Palladium(II) Fragments as Building Blocks in the Construction of New Heteronuclear Metalomacrocycles","Organometallics","2001","20","7","1350","","10.1021/om000840m","","","0.71073","MoKα","","0.1063","0.0661","","","0.1616","0.1862","","","","","","0.998","","","","has coordinates,has disorder","178661","2020-10-21","18:00:00","" "4077235","15.9622","0.0019","17.283","0.002","17.758","0.002","88.829","0.01","78.656","0.009","87.525","0.01","4798.4","1","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C57.75 H63.75 B N -","- C57.75 H62 B N -","- C231 H248 B4 N4 -","4","2","","Wehmschulte, Rudolf J.; Khan, Masood A.; Twamley, Brendan; Schiemenz, Berthold","Synthesis and Characterization of a Sterically Encumbered Unsymmetrical 9-Borafluorene, Its Pyridine Adduct, and Its Dilithium Salt","Organometallics","2001","20","5","844","","10.1021/om000868y","","","0.71073","MoKα","","0.1244","0.0743","","","0.1899","0.2249","","","","","","1.009","","","","has coordinates","178661","2020-10-21","18:00:00","" "4077236","15.364","0.002","28.684","0.005","11.869","0.002","90","","91.477","0.01","90","","5228.9","1.4","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C60 H69 B N -","- C60 H69 B N -","- C240 H276 B4 N4 -","4","1","","Wehmschulte, Rudolf J.; Khan, Masood A.; Twamley, Brendan; Schiemenz, Berthold","Synthesis and Characterization of a Sterically Encumbered Unsymmetrical 9-Borafluorene, Its Pyridine Adduct, and Its Dilithium Salt","Organometallics","2001","20","5","844","","10.1021/om000868y","","","0.71073","MoKα","","0.1556","0.0902","","0.3368","0.2351","","","","1.109","1.165","1.165","","","","","has coordinates,has disorder","178661","2020-10-21","18:00:00","" "4077237","13.4883","0.0003","35.4783","0.0005","12.2052","0.0002","90","","114.367","0.001","90","","5320.42","0.17","203","2","203","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Li2boratafluorene.2Et2O","","","- C60 H77 B Li2 O2 -","- C60 H77 B Li2 O2 -","- C240 H308 B4 Li8 O8 -","4","1","","Wehmschulte, Rudolf J.; Khan, Masood A.; Twamley, Brendan; Schiemenz, Berthold","Synthesis and Characterization of a Sterically Encumbered Unsymmetrical 9-Borafluorene, Its Pyridine Adduct, and Its Dilithium Salt","Organometallics","2001","20","5","844","","10.1021/om000868y","","","0.71073","MoKα","","0.1214","0.0882","","","0.2012","0.2207","","","","","","1.069","","","","has coordinates,has disorder","178661","2020-10-21","18:00:00","" "4077238","9.9751","0.0007","17.71","0.0012","15.9534","0.0011","90","","93.565","0.002","90","","2812.9","0.3","160","2","160","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C25 H42 N2 P Rb Si2 -","- C25 H42 N2 P Rb Si2 -","- C100 H168 N8 P4 Rb4 Si8 -","4","1","","Izod, Keith; Clegg, William; Liddle, Stephen T.","The First Structurally Authenticated Rb−PR3and Cs−PR3Contacts. Synthesis and Crystal Structures of [Rb{(Me3Si)2CP(C6H4-2-CH2NMe2)2}]nand [Cs{(Me3Si)2CP(C6H4-2-CH2NMe2)2}(toluene)]n","Organometallics","2001","20","3","367","","10.1021/om0008732","","","0.71073","MoKα","","0.0838","0.0421","","","0.082","0.0943","","","","","","0.967","","","","has coordinates","178661","2020-10-21","18:00:00","" "4077239","20.0291","0.0008","11.2852","0.0004","16.6256","0.0006","90","","102.999","0.002","90","","3661.6","0.2","160","2","160","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C32 H50 Cs N2 P Si2 -","- C32 H50 Cs N2 P Si2 -","- C128 H200 Cs4 N8 P4 Si8 -","4","1","","Izod, Keith; Clegg, William; Liddle, Stephen T.","The First Structurally Authenticated Rb−PR3and Cs−PR3Contacts. Synthesis and Crystal Structures of [Rb{(Me3Si)2CP(C6H4-2-CH2NMe2)2}]nand [Cs{(Me3Si)2CP(C6H4-2-CH2NMe2)2}(toluene)]n","Organometallics","2001","20","3","367","","10.1021/om0008732","","","0.71073","MoKα","","0.0206","0.0192","","","0.0392","0.0394","","","","","","0.919","","","","has coordinates","178661","2020-10-21","18:00:00","" "4077240","16.6255","0.0007","16.8352","0.0007","19.2871","0.0008","113.89","0.002","92.138","0.002","90.708","0.002","4930.2","0.4","160","2","160","2","","","","","","","","5","P -1","-P 1","2","","","","- C97 H128 Li4 N8 P4 -","- C76 H104 Li4 N8 P4 -","- C152 H208 Li8 N16 P8 -","2","1","","Izod, Keith; O'Shaughnessy, Paul; Clegg, William; Liddle, Stephen T.","Regioselective Metalation of a Tertiary Phosphine. Synthesis and Structural Characterization of an Unusual Tetrameric Lithium Phosphinomethanide","Organometallics","2001","20","4","648","","10.1021/om000876e","","","0.71073","MoKα","","0.0715","0.0423","","","0.0994","0.1061","","","","","","0.878","","","","has coordinates","178661","2020-10-21","18:00:00","" "4077241","7.987","0.001","16.209","0.001","16.996","0.001","90","","100.47","","90","","2163.7","0.3","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C16 H23 Cl3 N4 O3 Ti -","- C16 H23 Cl3 N4 O3 Ti -","- C64 H92 Cl12 N16 O12 Ti4 -","4","1","","Otero, A.; Fernández-Baeza, J.; Antiñolo, A.; Carrillo-Hermosilla, F.; Tejeda, J.; Díez-Barra, E.; Lara-Sanchez, A.; Sanchez-Barba, L.; López-Solera, I.; Ribeiro, M. R.; Campos, J. M.","Polymerization of Ethylene by the Electrophilic Heteroscorpionate-Containing Complexes [TiCl3(bdmpza)] and [TiCl2(bdmpza){O(CH2)4Cl}] (bdmpza = Bis(3,5-dimethylpyrazol-1-yl)acetate)","Organometallics","2001","20","12","2428","","10.1021/om0008777","","","0.71073","MoKα","","0.2943","0.0861","","","0.16","0.2225","","","","","","0.961","","","","has coordinates,has disorder","178661","2020-10-21","18:00:00","" "4077242","21.034","0.002","20.06","0.002","18.983","0.002","90","","90","","90","","8009.7","1.4","203","2","203","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C52 H128 Cl2 N12 Si8 Y2 -","- C52 H128 Cl2 N12 Si8 Y2 -","- C208 H512 Cl8 N48 Si32 Y8 -","4","1","","Lu, Zhiping; Yap, Glenn P. A.; Richeson, Darrin S.","Tetrasubstituted Guanidinate Anions as Supporting Ligands in Organoyttrium Chemistry","Organometallics","2001","20","4","706","","10.1021/om0009029","","","0.71073","MoKα","","0.1386","0.0478","","","0.0958","0.1178","","","","","","1.01","","","","has coordinates","178661","2020-10-21","18:00:00","" "4077243","22.6891","0.0019","10.8334","0.0009","21.3807","0.0018","90","","108.009","0.001","90","","4997.9","0.7","203","2","203","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C33 H83 N6 Si6 Y -","- C33 H83 N6 Si6 Y -","- C132 H332 N24 Si24 Y4 -","4","1","","Lu, Zhiping; Yap, Glenn P. A.; Richeson, Darrin S.","Tetrasubstituted Guanidinate Anions as Supporting Ligands in Organoyttrium Chemistry","Organometallics","2001","20","4","706","","10.1021/om0009029","","","0.71073","MoKα","","0.1045","0.0454","","","0.0822","0.0895","","","","","","1.078","","","","has coordinates","178661","2020-10-21","18:00:00","" "4077244","12.812","0.003","13.933","0.003","17.309","0.003","100.87","0.01","93.91","0.02","108.36","0.01","2852.8","1.1","203","2","203","2","","","","","","","","6","P -1","-P 1","2","","","","- C36.78 H86 Li N8 Si4 Y -","- C36.79 H86 Li N8 Si4 Y -","- C73.58 H172 Li2 N16 Si8 Y2 -","2","1","","Lu, Zhiping; Yap, Glenn P. A.; Richeson, Darrin S.","Tetrasubstituted Guanidinate Anions as Supporting Ligands in Organoyttrium Chemistry","Organometallics","2001","20","4","706","","10.1021/om0009029","","","0.71073","MoKα","","0.0918","0.0541","","","0.1402","0.1481","","","","","","1.03","","","","has coordinates,has disorder","178661","2020-10-21","18:00:00","" "4077245","18.228","0.004","13.678","0.004","34.896","0.009","90","","90","","90","","8700","4","203","2","203","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C30 H73 N6 Si4 Y -","- C30 H73 N6 Si4 Y -","- C240 H584 N48 Si32 Y8 -","8","2","","Lu, Zhiping; Yap, Glenn P. A.; Richeson, Darrin S.","Tetrasubstituted Guanidinate Anions as Supporting Ligands in Organoyttrium Chemistry","Organometallics","2001","20","4","706","","10.1021/om0009029","","","0.71073","MoKα","","0.133","0.0646","","","0.0981","0.1131","","","","","","1.054","","","","has coordinates","178661","2020-10-21","18:00:00","" "4077246","15.5166","0.0015","17.1999","0.0016","18.1167","0.0017","90","","90","","90","","4835.1","0.8","298","2","298","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C20 H30 N4 P2 S2 -","- C20 H30 N4 P2 S2 -","- C160 H240 N32 P16 S16 -","8","1","","Lief, Graham R.; Carrow, Christopher J.; Stahl, Lothar; Staples, Richard J.","Trispirocyclic Bis(dimethylaluminum)bis(amido)cyclodiphosph(V)azanes","Organometallics","2001","20","8","1629","","10.1021/om000916e","","","0.71073","MoKα","","0.0727","0.0444","","","0.1046","0.1213","","","","","","1.028","","","","has coordinates","178661","2020-10-21","18:00:00","" "4077247","20.772","0.001","14.1984","0.0008","17.2051","0.0009","90","","107.402","0.001","90","","4842","0.4","213","2","213","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H30 N4 P2 Se2 -","- C20 H30 N4 P2 Se2 -","- C160 H240 N32 P16 Se16 -","8","2","","Lief, Graham R.; Carrow, Christopher J.; Stahl, Lothar; Staples, Richard J.","Trispirocyclic Bis(dimethylaluminum)bis(amido)cyclodiphosph(V)azanes","Organometallics","2001","20","8","1629","","10.1021/om000916e","","","0.71073","MoKα","","0.0648","0.0416","","","0.0926","0.1005","","","","","","1.023","","","","has coordinates","178661","2020-10-21","18:00:00","" "4077248","18.56","0.002","7.9179","0.0007","20.518","0.002","90","","99.573","0.009","90","","2973.3","0.5","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C20 H48 Al2 N4 O2 P2 -","- C20.06 H48.18 Al2 N4 O2 P2 -","- C80.24 H192.72 Al8 N16 O8 P8 -","4","0.5","","Lief, Graham R.; Carrow, Christopher J.; Stahl, Lothar; Staples, Richard J.","Trispirocyclic Bis(dimethylaluminum)bis(amido)cyclodiphosph(V)azanes","Organometallics","2001","20","8","1629","","10.1021/om000916e","","","0.71073","MoKα","","0.0447","0.0394","","","0.1132","0.1179","","","","","","1.071","","","","has coordinates,has disorder","178661","2020-10-21","18:00:00","" "4077249","10.1296","0.0005","15.5105","0.0007","19.7311","0.0009","90","","90","","90","","3100.1","0.3","213","2","213","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C20 H48 Al2 N4 P2 S2 -","- C20 H48 Al2 N4 P2 S2 -","- C80 H192 Al8 N16 P8 S8 -","4","0.5","","Lief, Graham R.; Carrow, Christopher J.; Stahl, Lothar; Staples, Richard J.","Trispirocyclic Bis(dimethylaluminum)bis(amido)cyclodiphosph(V)azanes","Organometallics","2001","20","8","1629","","10.1021/om000916e","","","0.71073","MoKα","","0.1135","0.078","","","0.2055","0.2357","","","","","","1.162","","","","has coordinates","178661","2020-10-21","18:00:00","" "4077250","10.052","0.007","13.187","0.008","15.711","0.005","89.074","0.002","81.087","0.008","76.752","0.004","2002","2","213","2","213","2","","","","","","","","5","P -1","-P 1","2","","","","- C34 H62 Al2 N6 P2 -","- C34 H62 Al2 N6 P2 -","- C68 H124 Al4 N12 P4 -","2","1","","Lief, Graham R.; Carrow, Christopher J.; Stahl, Lothar; Staples, Richard J.","Trispirocyclic Bis(dimethylaluminum)bis(amido)cyclodiphosph(V)azanes","Organometallics","2001","20","8","1629","","10.1021/om000916e","","","0.71073","MoKα","","0.0671","0.0516","","","0.1469","0.1617","","","","","","1.034","","","","has coordinates,has disorder","178661","2020-10-21","18:00:00","" "4077251","13.54","0.002","20.606","0.003","27.693","0.003","90","","118.86","0.02","90","","6767","2","150","","150","","","","","","","","see text","6","P 1 21/c 1","-P 2ybc","14","","","","- C56 H92 B Na O8 Si4 -","- C56 H92 B Na O8 Si4 -","- C224 H368 B4 Na4 O32 Si16 -","4","1","","van den Broeke, Joep; Lutz, Martin; Kooijman, Huub; Spek, Anthony L.; Deelman, Berth-Jan; van Koten, Gerard","Increasing the Lipophilic Character of Tetraphenylborate Anions through Silyl Substituents","Organometallics","2001","20","10","2114","","10.1021/om0009177","","","0.71073","MoKα","","0.0972","0.0793","","","0.2165","0.2304","","","","","","1.069","","","","has coordinates","198633","2020-10-21","18:00:00","" "4077252","14.7259","0.0002","20.1809","0.0002","16.4196","0.0002","90","","96.5775","0.0004","90","","4847.49","0.1","150","2","150","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C88 H100 B P4 Rh Si4 -","- C88 H100 B P4 Rh Si4 -","- C176 H200 B2 P8 Rh2 Si8 -","2","1","","van den Broeke, Joep; Lutz, Martin; Kooijman, Huub; Spek, Anthony L.; Deelman, Berth-Jan; van Koten, Gerard","Increasing the Lipophilic Character of Tetraphenylborate Anions through Silyl Substituents","Organometallics","2001","20","10","2114","","10.1021/om0009177","","","0.71073","MoKα","","0.0407","0.0348","","","0.0853","0.088","","","","","","1.039","","","","has coordinates,has disorder","178661","2020-10-21","18:00:00","" "4077253","14.941","","11.193","","15.035","","90","","117.63","","90","","2227.64","","293","2","293","2","","","","","","","synthesis as described","4","P 1 21/c 1","-P 2ybc","14","","","","- C26 H33 Rh Ru -","- C26 H33 Rh Ru -","- C104 H132 Rh4 Ru4 -","4","1","","Burgos, Francisco; Chávez, Ivonne; Manriquez, Juan M.; Valderrama, Mauricio; Lago, Elena; Molins, Elies; Delpech, Fabien; Castel, Annie; Rivière, Pierre","A New Heterobimetallic Ru,Rh Complex with a Dianionic Pentalene as Bridging Ligand. Synthesis, Crystal Structure, and Catalytic Activity of [Cp*Ru(μ-η5,η3-C8H6)Rh(η4-COD)]","Organometallics","2001","20","7","1287","","10.1021/om000941k","","","0.71073","MoKα","","0.1013","0.0476","","","0.1134","0.1234","","","","","","0.945","","","","has coordinates","178661","2020-10-21","18:00:00","" "4077254","16.302","0.002","12.761","0.002","17.772","0.002","90","","107.515","0.005","90","","3525.7","0.8","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C32 H56 Ca N2 O2 Si2 -","- C32 H56 Ca N2 O2 Si2 -","- C128 H224 Ca4 N8 O8 Si8 -","4","1","","Harder, Sjoerd; Feil, Florian; Weeber, Armin","Structure of a Benzylcalcium Diastereomer: An Initiator for the Anionic Polymerization of Styrene","Organometallics","2001","20","6","1044","","10.1021/om000945p","","","0.71073","MoKα","","0.0765","0.0393","","","0.0907","0.1033","","","","","","1.029","","","","has coordinates","178661","2020-10-21","18:00:00","" "4077255","10.4393","0.0012","18.457","0.002","21.421","0.002","90","","95.089","0.008","90","","4111.1","0.8","193","2","193","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C35 H73 Li N2 O P2 Si2 -","- C35 H73 Li N2 O P2 Si2 -","- C140 H292 Li4 N8 O4 P8 Si8 -","4","1","","Kamalesh Babu, Ruppa P.; Aparna, Kasani; McDonald, Robert; Cavell, Ronald G.","Monomeric Alkali Metal (Li, Na, K) Complexes of Bis(iminophosphorano)methanides","Organometallics","2001","20","7","1451","","10.1021/om000982g","","","0.71073","MoKa","","0.1082","0.0587","","0.145","0.1213","","","","1.016","1.078","1.078","","","","","has coordinates","178661","2020-10-21","18:00:00","" "4077256","20.412","0.014","10.276","0.006","19.489","0.014","90","","96.104","0.018","90","","4065","5","193","2","193","2","","","","","","","","7","I 1 2/a 1","-I 2ya","15","","","","- C39 H55 N2 Na O2 P2 Si2 -","- C39 H55 N2 Na O2 P2 Si2 -","- C156 H220 N8 Na4 O8 P8 Si8 -","4","0.5","","Kamalesh Babu, Ruppa P.; Aparna, Kasani; McDonald, Robert; Cavell, Ronald G.","Monomeric Alkali Metal (Li, Na, K) Complexes of Bis(iminophosphorano)methanides","Organometallics","2001","20","7","1451","","10.1021/om000982g","","","0.71073","MoKα","","0.1375","0.0593","","","0.1317","0.1587","","","","","","0.904","","","","has coordinates","178661","2020-10-21","18:00:00","" "4077257","10.5559","0.0005","17.5139","0.0009","22.8781","0.001","90","","93.796","0.001","90","","4220.3","0.3","193","2","193","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C39 H55 K N2 O2 P2 Si2 -","- C39 H55 K N2 O2 P2 Si2 -","- C156 H220 K4 N8 O8 P8 Si8 -","4","1","","Kamalesh Babu, Ruppa P.; Aparna, Kasani; McDonald, Robert; Cavell, Ronald G.","Monomeric Alkali Metal (Li, Na, K) Complexes of Bis(iminophosphorano)methanides","Organometallics","2001","20","7","1451","","10.1021/om000982g","","","0.71073","MoKα","","0.0781","0.047","","","0.1196","0.1315","","","","","","0.987","","","","has coordinates,has disorder","178661","2020-10-21","18:00:00","" "4077258","8.0131","0.0008","9.2651","0.0008","32.692","0.005","90","","94.95","0.01","90","","2418.1","0.5","243","2","243","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H38 N2 Si2 Zr -","- C22 H38 N2 Si2 Zr -","- C88 H152 N8 Si8 Zr4 -","4","1","","Peckham, Timothy J.; Nguyen, Paul; Bourke, Sara C.; Wang, Qinyan; Harrison, Daryll G.; Zoricak, Peter; Russell, Charles; Liable-Sands, Louise M.; Rheingold, Arnold L.; Lough, Alan J.; Manners, Ian","Ring-Opening Polymerization Behavior ofansa- and Spirocyclicansa-Zirconocene Complexes","Organometallics","2001","20","14","3035","","10.1021/om001023p","","","0.71073","MoKα","","0.0486","0.039","","0.0893","0.087","","","","1.269","1.388","1.388","","","","","has coordinates","178661","2020-10-21","18:00:00","" "4077259","8.2103","0.0002","8.5324","0.0001","14.7223","0.0003","94.617","0.001","99.097","0.001","113.186","0.001","924.48","0.03","223","2","223","2","","","","","","","","5","P -1","-P 1","2","","","","- C17 H26 N2 Si Zr -","- C17 H26 N2 Si Zr -","- C34 H52 N4 Si2 Zr2 -","2","1","","Peckham, Timothy J.; Nguyen, Paul; Bourke, Sara C.; Wang, Qinyan; Harrison, Daryll G.; Zoricak, Peter; Russell, Charles; Liable-Sands, Louise M.; Rheingold, Arnold L.; Lough, Alan J.; Manners, Ian","Ring-Opening Polymerization Behavior ofansa- and Spirocyclicansa-Zirconocene Complexes","Organometallics","2001","20","14","3035","","10.1021/om001023p","","","0.71073","MoKα","","0.046","0.0359","","0.1776","0.1226","","","","1.082","1.065","1.065","","","","","has coordinates","178661","2020-10-21","18:00:00","" "4077260","7.3911","0.0015","8.701","0.0017","10.8","0.002","86.89","0.03","82.13","0.03","88.32","0.03","686.8","0.2","130","1","130","1","","","","","","","","5","P -1","-P 1","2","","","","- C13 H14 Cl2 Si Zr -","- C13 H14 Cl2 Si Zr -","- C26 H28 Cl4 Si2 Zr2 -","2","1","","Peckham, Timothy J.; Nguyen, Paul; Bourke, Sara C.; Wang, Qinyan; Harrison, Daryll G.; Zoricak, Peter; Russell, Charles; Liable-Sands, Louise M.; Rheingold, Arnold L.; Lough, Alan J.; Manners, Ian","Ring-Opening Polymerization Behavior ofansa- and Spirocyclicansa-Zirconocene Complexes","Organometallics","2001","20","14","3035","","10.1021/om001023p","","","0.71073","MoKα","","0.0256","0.0229","","","0.0604","0.0611","","","","","","1.072","","","","has coordinates","178661","2020-10-21","18:00:00","" "4077261","12.5634","0.001","11.4472","0.0009","16.6823","0.0011","90","","102.882","0.006","90","","2338.8","0.3","300","2","300","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H19 Cl4 P Pt -","- C22 H19 Cl3.99 P Pt -","- C88 H76 Cl15.96 P4 Pt4 -","4","1","","Falvello, Larry R.; Fernández, Susana; Larraz, Carmen; Llusar, Rosa; Navarro, Rafael; Urriolabeitia, Esteban P.","C−H Activation in Phosphonium Salts Promoted by Platinum(II) Complexes","Organometallics","2001","20","7","1424","","10.1021/om001034i","","","0.71073","MoKα","","0.0731","0.0493","","","0.1161","0.1293","","","","","","1.053","","","","has coordinates","178661","2020-10-21","18:00:00","" "4077262","10.1058","0.0009","14.9236","0.0013","17.1015","0.0014","90","","90.517","0.002","90","","2579.1","0.4","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C27 H24 Cl3 P Pt -","- C27 H24 Cl3 P Pt -","- C108 H96 Cl12 P4 Pt4 -","4","1","","Falvello, Larry R.; Fernández, Susana; Larraz, Carmen; Llusar, Rosa; Navarro, Rafael; Urriolabeitia, Esteban P.","C−H Activation in Phosphonium Salts Promoted by Platinum(II) Complexes","Organometallics","2001","20","7","1424","","10.1021/om001034i","","","0.71073","MoKα","","0.0475","0.0244","","","0.0383","0.0413","","","","","","0.841","","","","has coordinates","178661","2020-10-21","18:00:00","" "4077263","6.7065","0.0014","14.0124","0.0011","18.68","0.0017","90","","90","","90","","1755.4","0.4","183","2","183","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C7 H22 B10 Fe O2 S2 -","- C7 H22 B10 Fe O2 S2 -","- C28 H88 B40 Fe4 O8 S8 -","4","1","","Franken, Andreas; Du, Shaowu; Jelliss, Paul A.; Kautz, Jason A.; Stone, F. Gordon A.","Cage Substitution Reactions of Monocarbollide Carbonyl Complexes of Iron: Generation of Iminium Groups at a Boron Vertex†","Organometallics","2001","20","8","1597","","10.1021/om001057x","","","0.71073","MoKα","","0.0428","0.033","","","0.0686","0.072","","","","","","1.04","","","","has coordinates","178661","2020-10-21","18:00:00","" "4077264","13.2967","0.0013","8.978","0.003","13.82","0.003","90","","109.755","0.011","90","","1552.7","0.6","183","2","183","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C7 H17 B10 Fe N O3 -","- C7 H17 B10 Fe N O3 -","- C28 H68 B40 Fe4 N4 O12 -","4","1","","Franken, Andreas; Du, Shaowu; Jelliss, Paul A.; Kautz, Jason A.; Stone, F. Gordon A.","Cage Substitution Reactions of Monocarbollide Carbonyl Complexes of Iron: Generation of Iminium Groups at a Boron Vertex†","Organometallics","2001","20","8","1597","","10.1021/om001057x","","","0.71073","MoKα","","0.0454","0.0399","","","0.0912","0.0936","","","","","","1.207","","","","has coordinates,has disorder","178661","2020-10-21","18:00:00","" "4077265","12.325","0.002","7.6538","0.001","17.502","0.002","90","","106.856","0.014","90","","1580.1","0.4","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C7 H19 B10 Fe N O3 -","- C7 H19 B10 Fe N O3 -","- C28 H76 B40 Fe4 N4 O12 -","4","1","","Franken, Andreas; Du, Shaowu; Jelliss, Paul A.; Kautz, Jason A.; Stone, F. Gordon A.","Cage Substitution Reactions of Monocarbollide Carbonyl Complexes of Iron: Generation of Iminium Groups at a Boron Vertex†","Organometallics","2001","20","8","1597","","10.1021/om001057x","","","0.71073","MoKα","","0.042","0.0335","","","0.0789","0.0838","","","","","","1.038","","","","has coordinates","178661","2020-10-21","18:00:00","" "4077266","9.3727","0.0013","12.8796","0.0008","16.719","0.002","90","","90","","90","","2018.3","0.4","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C12 H27 B10 Fe N O2 -","- C12 H27 B10 Fe N O2 -","- C48 H108 B40 Fe4 N4 O8 -","4","1","","Franken, Andreas; Du, Shaowu; Jelliss, Paul A.; Kautz, Jason A.; Stone, F. Gordon A.","Cage Substitution Reactions of Monocarbollide Carbonyl Complexes of Iron: Generation of Iminium Groups at a Boron Vertex†","Organometallics","2001","20","8","1597","","10.1021/om001057x","","","0.71073","MoKα","","0.035","0.0311","","","0.0792","0.0817","","","","","","1.056","","","","has coordinates","178661","2020-10-21","18:00:00","" "4077267","18.5236","0.0003","11.1383","0.0002","13.2433","0.0001","90","","90","","90","","2732.38","0.07","160.2","","160.2","","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C24 H43 Cl2 N4 Ta -","- C24 H43 Cl2 N4 Ta -","- C96 H172 Cl8 N16 Ta4 -","4","1","","Schmidt, Joseph A. R.; Chmura, Stephen A.; Arnold, John","Alkyl and Alkylidene Tantalum−Lithium Complexes Supported by an Anionic Triazacyclononane Ligand","Organometallics","2001","20","6","1062","","10.1021/om0010621","","","0.7107","MoKα","","0.022","0.0162","","","0.0193","","","","","0.832","0.832","","","","","has coordinates","176467","2020-10-21","18:00:00","" "4077268","17.476","0.003","11.198","0.002","21.84","0.004","90","","99.506","0.004","90","","4215.3","1.3","154.2","","154.2","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C36 H76 Li N4 Si3 Ta -","- C36 H76 Li N4 Si3 Ta -","- C144 H304 Li4 N16 Si12 Ta4 -","4","1","","Schmidt, Joseph A. R.; Chmura, Stephen A.; Arnold, John","Alkyl and Alkylidene Tantalum−Lithium Complexes Supported by an Anionic Triazacyclononane Ligand","Organometallics","2001","20","6","1062","","10.1021/om0010621","","","0.7107","MoKα","","0.033","0.0329","","","0.0322","","","","","0.797","0.797","","","","","has coordinates","176467","2020-10-21","18:00:00","" "4077269","10.572","0.001","18.131","0.002","20.524","0.002","90","","103.789","0.002","90","","3820.7","0.7","154.2","","154.2","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C32 H64 Li N4 Si2 Ta -","- C32 H64 Li N4 Si2 Ta -","- C128 H256 Li4 N16 Si8 Ta4 -","4","1","","Schmidt, Joseph A. R.; Chmura, Stephen A.; Arnold, John","Alkyl and Alkylidene Tantalum−Lithium Complexes Supported by an Anionic Triazacyclononane Ligand","Organometallics","2001","20","6","1062","","10.1021/om0010621","","","0.7107","MoKα","","0.169","0.0614","","","0.0894","","","","","1.78","1.78","","","","","has coordinates","176467","2020-10-21","18:00:00","" "4077270","10.2508","0.0018","14.049","0.002","18.963","0.003","74.413","0.003","76.391","0.003","83.074","0.004","2551.8","0.7","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C55 H53 N8 O2 Ru2 Si -","- C55 H34 N8 O2 Ru2 Si -","- C110 H68 N16 O4 Ru4 Si2 -","2","1","","Xu, Guolin; Ren, Tong","Ru-σ-butadiynyl Complexes of the Tetraanilinopyridinatodiruthenium Core: Formation of a Bis-adduct","Organometallics","2001","20","11","2400","","10.1021/om001064l","","","0.71073","MoKα","","0.1203","0.0613","","","0.1312","0.151","","","","","","0.986","","","","has coordinates,has disorder","178661","2020-10-21","18:00:00","" "4077271","19.811","0.002","11.8642","0.0012","23.391","0.002","90","","90.717","0.002","90","","5497.4","0.9","293","2","293","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","Ru2(ap)4(C4TMS)","","","- C58 H54 N8 Ru2 Si2 -","- C58 H54 N8 Ru2 Si2 -","- C232 H216 N32 Ru8 Si8 -","4","1","","Xu, Guolin; Ren, Tong","Ru-σ-butadiynyl Complexes of the Tetraanilinopyridinatodiruthenium Core: Formation of a Bis-adduct","Organometallics","2001","20","11","2400","","10.1021/om001064l","","","0.71073","MoKα","","0.1095","0.065","","","0.1582","0.1811","","","","","","0.988","","","","has coordinates,has disorder","178661","2020-10-21","18:00:00","" "4077272","12.672","0.003","16.392","0.003","12.885","0.003","90","","106.81","0.03","90","","2562.1","1.1","200","","200","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C28 H26 Cl3 Mo O P -","- C28 H26 Cl3 Mo O P -","- C112 H104 Cl12 Mo4 O4 P4 -","4","1","","Rodrigues, Cristina Wippert; Antelmann, Björn; Limberg, Christian; Kaifer, Elisabeth; Pritzkow, Hans","Syntheses of Molybdenum(II) and Molybdenum(IV) Complexes Bearing Tethered Homoallylic Phosphines†","Organometallics","2001","20","9","1825","","10.1021/om001065d","","","0.71073","MoKα","","0.0547","0.0319","","","0.0602","0.0639","","","","","","0.993","","","","has coordinates","178661","2020-10-21","18:00:00","" "4077273","15.9258","0.0005","11.1976","0.0003","16.9224","0.0004","90","","102.218","0.002","90","","2949.43","0.14","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C29 H28 Cl5 Mo O P -","- C29 H26 Cl5 Mo O P -","- C116 H104 Cl20 Mo4 O4 P4 -","4","1","","Rodrigues, Cristina Wippert; Antelmann, Björn; Limberg, Christian; Kaifer, Elisabeth; Pritzkow, Hans","Syntheses of Molybdenum(II) and Molybdenum(IV) Complexes Bearing Tethered Homoallylic Phosphines†","Organometallics","2001","20","9","1825","","10.1021/om001065d","","","0.71073","MoKα","","0.0678","0.0477","","","0.1189","0.1347","","","","","","1.036","","","","has coordinates,has disorder","178661","2020-10-21","18:00:00","" "4077274","15.173","0.003","15.674","0.003","18.031","0.004","90","","100.34","0.03","90","","4218.5","1.5","200","","200","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C27 H23 Mo O P -","- C27 H23 Mo O P -","- C216 H184 Mo8 O8 P8 -","8","2","","Rodrigues, Cristina Wippert; Antelmann, Björn; Limberg, Christian; Kaifer, Elisabeth; Pritzkow, Hans","Syntheses of Molybdenum(II) and Molybdenum(IV) Complexes Bearing Tethered Homoallylic Phosphines†","Organometallics","2001","20","9","1825","","10.1021/om001065d","","","0.71073","MoKα","","0.1404","0.0663","","","0.123","0.1439","","","","","","1.033","","","","has coordinates","178661","2020-10-21","18:00:00","" "4077275","7.736","0.0015","15.106","0.003","18.726","0.004","90","","94.05","0.03","90","","2182.9","0.8","200","","200","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C26 H23 Cl2 Mo P -","- C26 H23 Cl2 Mo P -","- C104 H92 Cl8 Mo4 P4 -","4","1","","Rodrigues, Cristina Wippert; Antelmann, Björn; Limberg, Christian; Kaifer, Elisabeth; Pritzkow, Hans","Syntheses of Molybdenum(II) and Molybdenum(IV) Complexes Bearing Tethered Homoallylic Phosphines†","Organometallics","2001","20","9","1825","","10.1021/om001065d","","","0.71073","MoKα","","0.0656","0.0392","","","0.0756","0.0829","","","","","","1.031","","","","has coordinates","178661","2020-10-21","18:00:00","" "4077276","16.985","0.009","20.15","0.009","9.374","0.003","90","","90","","90","","3208","2","293","2","293","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C26 H56 Cl Ir Sb2 -","- C26 H56 Cl Ir Sb2 -","- C104 H224 Cl4 Ir4 Sb8 -","4","0.5","","Ortmann, Dagmara A.; Gevert, Olaf; Laubender, Matthias; Werner, Helmut","Square-Planar Bis(triisopropylstibine)(olefin)iridium(I) Complexes and Their Rearrangement to (η3-Allyl)hydridoiridium(III) Isomers","Organometallics","2001","20","9","1776","","10.1021/om001078r","","","0.7093","MoKα","","0.082","0.0407","","0.1136","0.0864","","","","1.051","1.003","1.003","","","","","has coordinates,has disorder","178661","2020-10-21","18:00:00","" "4077277","42.065","0.01","8.7348","0.0009","14.658","0.003","90","","93.631","0.009","90","","5375","1.8","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C21 H48 Cl Ir Sb2 -","- C21 H48 Cl Ir Sb2 -","- C168 H384 Cl8 Ir8 Sb16 -","8","1","","Ortmann, Dagmara A.; Gevert, Olaf; Laubender, Matthias; Werner, Helmut","Square-Planar Bis(triisopropylstibine)(olefin)iridium(I) Complexes and Their Rearrangement to (η3-Allyl)hydridoiridium(III) Isomers","Organometallics","2001","20","9","1776","","10.1021/om001078r","","","0.71073","MoKα","","0.0456","0.0324","","0.0728","0.0662","","","","1.051","1.051","1.051","","","","","has coordinates","178661","2020-10-21","18:00:00","" "4077278","38.213","0.008","10.46","0.002","18.533","0.004","90","","90","0.03","90","","7408","3","293","2","293","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C54 H112 B20 Li4 O7 Si2 -","- C54 H108 B20 Li4 O7 Si2 -","- C216 H432 B80 Li16 O28 Si8 -","4","1","","Zi, Guofu; Yang, Qingchuan; Mak, Thomas C. W.; Xie, Zuowei","Tetramethylcyclopentadienyl vs Cyclopentadienyl Substituents. Synthesis and Structural Characterization of Organolanthanide Compounds Derived from the Versatile Ligand Me2Si(C5Me4H)(C2B10H11)","Organometallics","2001","20","11","2359","","10.1021/om010031i","","","0.71073","MoKα","","0.1287","0.1092","","","0.2779","0.3002","","","","","","1.195","","","","has coordinates","178661","2020-10-21","18:00:00","" "4077279","18.83","0.0009","24.187","0.0012","17.076","0.001","90","","109.81","0.003","90","","7316.9","0.7","293","2","293","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C84 H188 B40 Cl14 Li4 O10 Si4 Sm6 -","- C68 H152 B40 Cl14 Li4 O10 Si4 Sm6 -","- C136 H304 B80 Cl28 Li8 O20 Si8 Sm12 -","2","0.5","","Zi, Guofu; Yang, Qingchuan; Mak, Thomas C. W.; Xie, Zuowei","Tetramethylcyclopentadienyl vs Cyclopentadienyl Substituents. Synthesis and Structural Characterization of Organolanthanide Compounds Derived from the Versatile Ligand Me2Si(C5Me4H)(C2B10H11)","Organometallics","2001","20","11","2359","","10.1021/om010031i","","","0.71073","MoKα","","0.0732","0.0562","","","0.1321","0.1402","","","","","","1.084","","","","has coordinates","178661","2020-10-21","18:00:00","" "4077280","10.28","0.0002","24.893","0.001","21.402","0.0008","90","","92.289","0.002","90","","5472.4","0.3","296","2","296","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C34 H76 B20 Cl2 Li Nd O2 Si2 -","- C34 H76 B20 Cl2 Li Nd O2 Si2 -","- C136 H304 B80 Cl8 Li4 Nd4 O8 Si8 -","4","1","","Zi, Guofu; Yang, Qingchuan; Mak, Thomas C. W.; Xie, Zuowei","Tetramethylcyclopentadienyl vs Cyclopentadienyl Substituents. Synthesis and Structural Characterization of Organolanthanide Compounds Derived from the Versatile Ligand Me2Si(C5Me4H)(C2B10H11)","Organometallics","2001","20","11","2359","","10.1021/om010031i","","","0.71073","MoKα","","0.0863","0.0665","","","0.166","0.1778","","","","","","1.114","","","","has coordinates","178661","2020-10-21","18:00:00","" "4077281","29.95","0.004","29.95","0.004","12.983","0.001","90","","90","","120","","10086","2","296","2","296","2","","","","","","","","6","P -3","-P 3","147","","","","- C26 H42 Cl2 Li O2 Yb -","- C26 H42 Cl2 Li O2 Yb -","- C312 H504 Cl24 Li12 O24 Yb12 -","12","2","","Zi, Guofu; Yang, Qingchuan; Mak, Thomas C. W.; Xie, Zuowei","Tetramethylcyclopentadienyl vs Cyclopentadienyl Substituents. Synthesis and Structural Characterization of Organolanthanide Compounds Derived from the Versatile Ligand Me2Si(C5Me4H)(C2B10H11)","Organometallics","2001","20","11","2359","","10.1021/om010031i","","","0.71073","MoKα","","0.1241","0.0846","","","0.2043","0.2309","","","","","","1.192","","","","has coordinates,has disorder","178661","2020-10-21","18:00:00","" "4077282","16.478","0.0011","15.147","0.0012","16.965","0.0011","90","","102.54","0.004","90","","4133.3","0.5","294","2","294","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C25 H58 B10 Cl2 Li O6 Si Yb -","- C25 H58 B10 Cl2 Li O6 Si Yb -","- C100 H232 B40 Cl8 Li4 O24 Si4 Yb4 -","4","1","","Zi, Guofu; Yang, Qingchuan; Mak, Thomas C. W.; Xie, Zuowei","Tetramethylcyclopentadienyl vs Cyclopentadienyl Substituents. Synthesis and Structural Characterization of Organolanthanide Compounds Derived from the Versatile Ligand Me2Si(C5Me4H)(C2B10H11)","Organometallics","2001","20","11","2359","","10.1021/om010031i","","","0.71073","MoKα","","0.0594","0.0512","","","0.1396","0.1453","","","","","","1.129","","","","has coordinates,has disorder","178661","2020-10-21","18:00:00","" "4077283","14.026","0.0004","15.837","0.0006","27.756","0.001","90","","90","","90","","6165.4","0.4","296","2","296","2","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C37 H88 B10 I2 Li2 O12 Si Yb -","- C37 H88 B10 I2 Li2 O12 Si Yb -","- C148 H352 B40 I8 Li8 O48 Si4 Yb4 -","4","1","","Zi, Guofu; Yang, Qingchuan; Mak, Thomas C. W.; Xie, Zuowei","Tetramethylcyclopentadienyl vs Cyclopentadienyl Substituents. Synthesis and Structural Characterization of Organolanthanide Compounds Derived from the Versatile Ligand Me2Si(C5Me4H)(C2B10H11)","Organometallics","2001","20","11","2359","","10.1021/om010031i","","","0.71073","MoKα","","0.0663","0.0529","","","0.1105","0.1181","","","","","","0.984","","","","has coordinates","178661","2020-10-21","18:00:00","" "4077284","11.85","0.0005","14.2338","0.0006","15.95","0.0007","80.287","0.002","69.588","0.002","80.221","0.002","2467.22","0.19","160","2","160","2","","","","","","","","5","P -1","-P 1","2","","","","- C61 H58 B Ni P3 -","- C61 H58 B Ni P3 -","- C122 H116 B2 Ni2 P6 -","2","1","","Clegg, William; Cropper, Graham; Henderson, Richard A.; Strong, Christopher; Parkinson, Benjamin","Basicities of Nickel and Allyl in [Ni(η3-C3H5)(PhP(CH2CH2PPh2)2]+and Comparison of the Effects of Allyl and Methyl on the Basicity of Nickel","Organometallics","2001","20","12","2579","","10.1021/om0100535","","","0.71073","MoKα","","0.0368","0.0298","","","0.0736","0.0769","","","","","","1.023","","","","has coordinates","178661","2020-10-21","18:00:00","" "4077285","8.8284","0.0003","9.2316","0.0004","10.7891","0.0003","74.104","0.003","89.026","0.003","76.708","0.004","822.04","0.05","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C17 H13 I N2 O2 Pd -","- C17 H13 I N2 O2 Pd -","- C34 H26 I2 N4 O4 Pd2 -","2","1","","Vicente, José; Abad, José-Antonio; Förtsch, Walter; Jones, Peter G.; Fischer, Axel K.","Synthesis of Ortho-Palladated Phenol Derivatives. Study of Their Reactivity with Carbon Monoxide and Isonitriles","Organometallics","2001","20","13","2704","","10.1021/om010074z","","","0.71073","MoKα","","0.1007","0.058","","","0.1205","0.1386","","","","","","0.998","","","","has coordinates","178661","2020-10-21","18:00:00","" "4077286","9.0188","0.0014","16.689","0.002","21.851","0.003","112.344","0.008","90.559","0.01","98.875","0.01","2997.1","0.7","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C33 H32 I N3 O Pd -","- C33 H32 I N3 O Pd -","- C132 H128 I4 N12 O4 Pd4 -","4","2","","Vicente, José; Abad, José-Antonio; Förtsch, Walter; Jones, Peter G.; Fischer, Axel K.","Synthesis of Ortho-Palladated Phenol Derivatives. Study of Their Reactivity with Carbon Monoxide and Isonitriles","Organometallics","2001","20","13","2704","","10.1021/om010074z","","","0.71073","MoKα","","0.0363","0.0246","","","0.0505","0.0528","","","","","","0.948","","","","has coordinates","178661","2020-10-21","18:00:00","" "4077287","14.814","0.0018","20.55","0.002","21.62","0.003","90","","90","","90","","6581.7","1.4","173","2","173","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C35 H34 I N3 O2 Pd -","- C35 H34 I N3 O2 Pd -","- C280 H272 I8 N24 O16 Pd8 -","8","1","","Vicente, José; Abad, José-Antonio; Förtsch, Walter; Jones, Peter G.; Fischer, Axel K.","Synthesis of Ortho-Palladated Phenol Derivatives. Study of Their Reactivity with Carbon Monoxide and Isonitriles","Organometallics","2001","20","13","2704","","10.1021/om010074z","","","0.71073","MoKα","","0.0863","0.039","","","0.0601","0.0683","","","","","","0.794","","","","has coordinates,has disorder","178661","2020-10-21","18:00:00","" "4077288","10.0568","0.0008","13.3006","0.0012","18.6197","0.0016","90","","103.876","0.003","90","","2417.9","0.4","143","2","143","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C27 H24 I N3 O2 Pd -","- C27 H24 I N3 O2 Pd -","- C108 H96 I4 N12 O8 Pd4 -","4","1","","Vicente, José; Abad, José-Antonio; Förtsch, Walter; Jones, Peter G.; Fischer, Axel K.","Synthesis of Ortho-Palladated Phenol Derivatives. Study of Their Reactivity with Carbon Monoxide and Isonitriles","Organometallics","2001","20","13","2704","","10.1021/om010074z","","","0.71073","MoKα","","0.0803","0.0377","","","0.077","0.0842","","","","","","0.977","","","","has coordinates","178661","2020-10-21","18:00:00","" "4077289","8.5339","0.0003","14.9785","0.0004","17.2207","0.0004","112.118","0.003","95.685","0.003","101.822","0.003","1957.95","0.12","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C39 H41 F3 N4 O5 Pd S -","- C39 H41 F3 N4 O5 Pd S -","- C78 H82 F6 N8 O10 Pd2 S2 -","2","1","","Vicente, José; Abad, José-Antonio; Förtsch, Walter; Jones, Peter G.; Fischer, Axel K.","Synthesis of Ortho-Palladated Phenol Derivatives. Study of Their Reactivity with Carbon Monoxide and Isonitriles","Organometallics","2001","20","13","2704","","10.1021/om010074z","","","0.71073","MoKα","","0.0466","0.0344","","","0.0773","0.0836","","","","","","1.053","","","","has coordinates","178661","2020-10-21","18:00:00","" "4077290","19.5269","0.0014","19.5269","0.0014","12.2839","0.0012","90","","90","","90","","4683.8","0.7","143","2","143","2","","","","","","","","5","P 4/n :2","-P 4a","85","","","","- C96 H88 N8 O4 Pd4 -","- C98 H88 N8 O4 Pd4 -","- C196 H176 N16 O8 Pd8 -","2","0.25","","Vicente, José; Abad, José-Antonio; Förtsch, Walter; Jones, Peter G.; Fischer, Axel K.","Synthesis of Ortho-Palladated Phenol Derivatives. Study of Their Reactivity with Carbon Monoxide and Isonitriles","Organometallics","2001","20","13","2704","","10.1021/om010074z","","","0.71073","MoKα","","0.0915","0.0381","","","0.0983","0.1107","","","","","","0.908","","","","has coordinates","178661","2020-10-21","18:00:00","" "4077291","23.732","0.009","16.341","0.006","19.376","0.007","90","","92.213","0.007","90","","7508","5","183","2","183","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C35.5 H57 B N3 Nb -","- C35.5 H57 B N3 Nb -","- C284 H456 B8 N24 Nb8 -","8","2","","Mindiola, Daniel J.; Cummins, Christopher C.","Probing the Niobium Metallaaziridine Functionality","Organometallics","2001","20","17","3626","","10.1021/om010089x","","","0.71073","MoKα","","0.0536","0.0372","","0.1054","0.0966","","","","1.011","1.055","1.055","","","","","has coordinates","176467","2020-10-21","18:00:00","" "4077292","9.81","0.007","10.5","0.007","21.255","0.014","82.939","0.011","86.518","0.012","76.679","0.012","2113","2","183","2","183","2","","","","","","","","5","P -1","-P 1","2","","","","- C46 H58 N3 Nb O -","- C46 H58 N3 Nb O -","- C92 H116 N6 Nb2 O2 -","2","1","","Mindiola, Daniel J.; Cummins, Christopher C.","Probing the Niobium Metallaaziridine Functionality","Organometallics","2001","20","17","3626","","10.1021/om010089x","","","0.71073","MoKα","","0.0664","0.0418","","0.0936","0.0877","","","","0.926","1.033","1.033","","","","","has coordinates","178661","2020-10-21","18:00:00","" "4077293","11.1662","0.0006","12.2943","0.0007","17.3966","0.0009","103.836","0.001","98.234","0.001","113.247","0.001","2053.7","0.19","183","2","183","2","","","","","","","","5","P -1","-P 1","2","","","","- C46 H58 N3 Nb O -","- C46 H58 N3 Nb O -","- C92 H116 N6 Nb2 O2 -","2","1","","Mindiola, Daniel J.; Cummins, Christopher C.","Probing the Niobium Metallaaziridine Functionality","Organometallics","2001","20","17","3626","","10.1021/om010089x","","","0.71073","MoKα","","0.0391","0.0344","","0.0877","0.0852","","","","1.069","1.087","1.087","","","","","has coordinates","178661","2020-10-21","18:00:00","" "4077294","26.791","0.0007","19.457","0.0004","23.801","0.0006","90","","99.958","0.002","90","","12219.9","0.5","120.2","","120","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C26 H24 Bi2 F12 O3 -","- C26 H24 Bi2 F12 O3 -","- C416 H384 Bi32 F192 O48 -","16","2","","Uchiyama, Yosuke; Kano, Naokazu; Kawashima, Takayuki","Synthesis and Structure of a Novel Ladder-Type Organobismuth Compound with Bismuth−Oxygen Interactions","Organometallics","2001","20","12","2440","","10.1021/om010096l","","","0.7107","MoKα","","0.0931","0.0583","","0.137","","0.0685","","","5.649","","","5.65","","","","has coordinates","176467","2020-10-21","18:00:00","" "4077295","7.0165","0.0002","10.8379","0.0002","11.4935","0.0003","70.01","","87.43","0.001","83.698","0.001","816.37","0.03","158","2","158","2","","","","","","","","6","P -1","-P 1","2","","","","- C15 H15 As Mo O3 Si -","- C15 H15 As Mo O3 Si -","- C30 H30 As2 Mo2 O6 Si2 -","2","1","","Ashe, Arthur J.; Fang, Xiangdong; Kampf, Jeff W.","1-Arsanaphthalene. The Structure of Tricarbonyl(2-trimethylsilyl-1-arsanaphthalene)molybdenum","Organometallics","2001","20","10","2109","","10.1021/om010100t","","","0.71073","MoKα","","0.0172","0.0166","","","0.0426","0.0429","","","","","","1.105","","","","has coordinates","178661","2020-10-21","18:00:00","" "4077296","10.571","0.001","14.421","0.001","12.214","0.001","90","","104.72","","90","","1800.8","0.3","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C10 H22 Cl2 O4 Pd2 S2 -","- C10 H22 Cl2 O4 Pd2 S2 -","- C40 H88 Cl8 O16 Pd8 S8 -","4","1","","Patton, Jasson T.; Feng, Shaoguang G.; Abboud, Khalil A.","Chelating Diamide Group IV Metal Olefin Polymerization Catalysts","Organometallics","2001","20","16","3399","","10.1021/om010101l","","","0.71073","MoKα","","0.032","0.0222","","0.0449","0.0433","","","","0.917","0.987","0.987","","","","","has coordinates","178661","2020-10-21","18:00:00","" "4077297","5.0068","0.0004","9.0404","0.0004","11.3207","0.0008","70.1","0.005","89.902","0.006","80.671","0.005","474.65","0.06","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C7 H13 Cl O Pd S -","- C7 H13 Cl O Pd S -","- C14 H26 Cl2 O2 Pd2 S2 -","2","1","","Patton, Jasson T.; Feng, Shaoguang G.; Abboud, Khalil A.","Chelating Diamide Group IV Metal Olefin Polymerization Catalysts","Organometallics","2001","20","16","3399","","10.1021/om010101l","","","0.71073","MoKα","","0.0223","0.0214","","0.0567","0.0561","","","","1.081","1.098","1.098","","","","","has coordinates","178661","2020-10-21","18:00:00","" "4077298","8.9637","0.0006","9.0961","0.0005","9.5728","0.0007","90","","101.194","0.005","90","","765.67","0.09","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C6 H10 Hg O2 -","- C6 H10 Hg O2 -","- C24 H40 Hg4 O8 -","4","1","","Patton, Jasson T.; Feng, Shaoguang G.; Abboud, Khalil A.","Chelating Diamide Group IV Metal Olefin Polymerization Catalysts","Organometallics","2001","20","16","3399","","10.1021/om010101l","","","0.71073","MoKα","","0.0327","0.0273","","0.0681","0.0666","","","","1.015","1.072","1.072","","","","","has coordinates","178661","2020-10-21","18:00:00","" "4077299","18.61","0.004","15.7","0.002","22.175","0.003","90","","105.55","0.01","90","","6241.9","1.8","296.2","","296.2","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C71 H60 Br2 Cl2 Ni2 O4 P4 -","- C71 H60 Br2 Cl2 Ni2 O4 P4 -","- C284 H240 Br8 Cl8 Ni8 O16 P16 -","4","0.5","","Edwards, Alison J.; Macgregor, Stuart A.; Rae, A. David; Wenger, Eric; Willis, Anthony C.","Regioselectivities of the Insertion Reactions of Unsymmetrical Alkynes with the Nickelacycles [NiBr(C6H4CH2PPh2-2)(L)] (L = Tertiary Phosphine)","Organometallics","2001","20","13","2864","","10.1021/om0101083","","","1.5418","CuKα","","0.255","0.094","","0.149","","0.118","","","1.259","","","1.64","","","","has coordinates","176467","2020-10-21","18:00:00","" "4077300","9.776","0.003","14.482","0.004","15.326","0.004","76.36","0.02","75.75","0.02","77.03","0.02","2011.6","1","193.2","","193.2","","","","","","","","","6","P -1","-P 1","2","","","","- C47 H44 Br Ni O2 P2 -","- C47 H44 Br Ni O2 P2 -","- C94 H88 Br2 Ni2 O4 P4 -","2","1","","Edwards, Alison J.; Macgregor, Stuart A.; Rae, A. David; Wenger, Eric; Willis, Anthony C.","Regioselectivities of the Insertion Reactions of Unsymmetrical Alkynes with the Nickelacycles [NiBr(C6H4CH2PPh2-2)(L)] (L = Tertiary Phosphine)","Organometallics","2001","20","13","2864","","10.1021/om0101083","","","1.5418","CuKα","","0.05","0.0453","","0.0632","","0.0618","","","1.916","","","1.99","","","","has coordinates","176467","2020-10-21","18:00:00","" "4077301","10.87","0.003","22.707","0.004","13.162","0.003","90","","96.32","0.02","90","","3229","1.3","296.2","","296.2","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C39 H31 Br Ni P2 -","- C39 H31 Br Ni P2 -","- C156 H124 Br4 Ni4 P8 -","4","1","","Edwards, Alison J.; Macgregor, Stuart A.; Rae, A. David; Wenger, Eric; Willis, Anthony C.","Regioselectivities of the Insertion Reactions of Unsymmetrical Alkynes with the Nickelacycles [NiBr(C6H4CH2PPh2-2)(L)] (L = Tertiary Phosphine)","Organometallics","2001","20","13","2864","","10.1021/om0101083","","","1.5418","CuKα","","0.1251","0.049","","0.0653","","0.0536","","","1.371","","","1.613","","","","has coordinates","176467","2020-10-21","18:00:00","" "4077302","17.6495","0.0002","10.5692","0.0001","20.3919","0.0002","90","","99.0906","0.0005","90","","3756.15","0.07","200","","","","","","","","","","Local laboratory","6","P 1 21/a 1","-P 2yab","14","","","","- C43 H39 Br Ni O2 P2 -","- C43 H39 Br Ni O2 P2 -","- C172 H156 Br4 Ni4 O8 P8 -","4","1","","Edwards, Alison J.; Macgregor, Stuart A.; Rae, A. David; Wenger, Eric; Willis, Anthony C.","Regioselectivities of the Insertion Reactions of Unsymmetrical Alkynes with the Nickelacycles [NiBr(C6H4CH2PPh2-2)(L)] (L = Tertiary Phosphine)","Organometallics","2001","20","13","2864","","10.1021/om0101083","","","0.71073","MoKα","","","0.0433","","","","0.0371","","","","","","1.0357","","","","has coordinates","176467","2020-10-21","18:00:00","" "4077303","27.914","0.002","15.4458","0.001","18.9929","0.0012","90","","99.506","0.004","90","","8076.4","0.9","200","","","","","","","","","","Local laboratory","7","C 1 2/c 1","-C 2yc","15","","","","- C45 H40 Br F3 Ni O2 P2 -","- C45 H39 Br F3 Ni O2 P2 -","- C360 H312 Br8 F24 Ni8 O16 P16 -","8","1","","Edwards, Alison J.; Macgregor, Stuart A.; Rae, A. David; Wenger, Eric; Willis, Anthony C.","Regioselectivities of the Insertion Reactions of Unsymmetrical Alkynes with the Nickelacycles [NiBr(C6H4CH2PPh2-2)(L)] (L = Tertiary Phosphine)","Organometallics","2001","20","13","2864","","10.1021/om0101083","","","0.71073","MoKα","","","0.1242","","","","0.0985","","","","","","0.8975","","","","has coordinates","176467","2020-10-21","18:00:00","" "4077304","7.103","0.0003","8.969","0.0004","9.5849","0.0005","80.147","0.001","75.48","0.001","77.442","0.001","572.57","0.05","193","2","193","2","","","","","","","","3","P -1","-P 1","2","","","","- C12 H19 Si -","- C12 H19 Si -","- C24 H38 Si2 -","2","1","","Dahrouch, Mohamed R.; Jara, Paul; Mendez, Loreto; Portilla, Yoany; Abril, Diana; Alfonso, Geraldo; Chavez, Ivonne; Manriquez, Juan M.; Rivière-Baudet, Monique; Rivière, Pierre; Castel, Annie; Rouzaud, Jacques; Gornitzka, Heinz","An Effective and Selective Route to 1,5-Dihydropolyalkylateds-Indacenes: Characterization of Their Mono- and Dianions by Silylation. Structure oftrans-1,5-Bis(trimethylsilyl)-2,6-diethyl-4,8-dimethyl-s-indacene","Organometallics","2001","20","26","5591","","10.1021/om010119w","","","0.71073","MoKα","","0.0577","0.0469","","","0.1253","0.1318","","","","","","1.054","","","","has coordinates","178662","2020-10-21","18:00:00","" "4077305","12.014","0.004","36.823","0.008","11.614","0.004","90","","90","","90","","5138","3","173","","173","","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C59 H53 I O2 P2 Pt Si -","- C59 H53 I O2 P2 Pt Si -","- C236 H212 I4 O8 P8 Pt4 Si4 -","4","1","","Gallasch, David P.; Tiekink, Edward R. T.; Rendina, Louis M.","A New Methodology for the Preparation of Cationic Organoplatinum(II) Complexes with Hydrogen-Bonding Functionality","Organometallics","2001","20","16","3373","","10.1021/om010127c","","","0.7107","MoKα","","","0.03","","","","0.029","","","","","","1.33","","","","has coordinates","176467","2020-10-21","18:00:00","" "4077306","14.644","0.001","18.135","0.001","14.682","0.001","90","","105.94","0.02","90","","3749.2","0.6","0","","180","","","","","","","","?","5","C 1 2/c 1","-C 2yc","15","","","","- C15 H28 N2 Ni P -","- C15 H28 N2 Ni P -","- C120 H224 N16 Ni8 P8 -","8","1","","Douthwaite, Richard E.; Green, Malcolm L. H.; Silcock, Peter J.; Gomes, Pedro T.","Nickel(II)cis- andtrans-Dimethyl Complexes of Di-N-heterocyclic Carbenes","Organometallics","2001","20","12","2611","","10.1021/om010139y","","","0.71073","MoKα","","","0.0419","","","","0.049","","","","","","1.0254","","","","has coordinates","176467","2020-10-21","18:00:00","" "4077307","9.901","0.001","12.701","0.002","15.309","0.002","90","","90","","90","","1925.1","0.4","0","","180","","","","","","","","?","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H32 N4 Ni -","- C18 H32 N4 Ni -","- C72 H128 N16 Ni4 -","4","1","","Douthwaite, Richard E.; Green, Malcolm L. H.; Silcock, Peter J.; Gomes, Pedro T.","Nickel(II)cis- andtrans-Dimethyl Complexes of Di-N-heterocyclic Carbenes","Organometallics","2001","20","12","2611","","10.1021/om010139y","","","0.71073","MoKα","","","0.055","","","","0.0664","","","","","","1.0313","","","","has coordinates","176467","2020-10-21","18:00:00","" "4077308","10.662","0.002","15.748","0.003","24.832","0.005","104","0.03","99.43","0.03","103.29","0.03","3829.4","1.6","293","2","293","2","","","","","","","","9","P -1","-P 1","2","","","","- C57 H102 B20 Cl Li N2 O4 Si2 Sm2 -","- C57 H96 B20 Cl Li N2 O4 Si2 Sm2 -","- C114 H192 B40 Cl2 Li2 N4 O8 Si4 Sm4 -","2","1","","Wang, Shaowu; Li, Hung-Wing; Xie, Zuowei","Samarium-Mediated Tandem Reactions ofo-Carborane. Synthesis and Molecular Structure of [{η5:η1:η6-Me2Si(C9H5CH2CH2G)(C2B10H10)Sm}2(μ-Cl)][Li(THF)4] (G = NMe2and OMe)","Organometallics","2001","20","17","3624","","10.1021/om010157f","","","0.71073","MoKα","","0.0744","0.0651","","","0.1792","0.1886","","","","","","1.051","","","","has coordinates,has disorder","178662","2020-10-21","18:00:00","" "4077309","10.181","0.01","21.06","0.04","33.39","0.06","90","","93.04","0.14","90","","7149","2","293","2","293","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C48 H88 B20 Cl Li O6 Si2 Sm2 -","- C48 H86 B20 Cl Li O6 Si2 Sm2 -","- C192 H344 B80 Cl4 Li4 O24 Si8 Sm8 -","4","1","","Wang, Shaowu; Li, Hung-Wing; Xie, Zuowei","Samarium-Mediated Tandem Reactions ofo-Carborane. Synthesis and Molecular Structure of [{η5:η1:η6-Me2Si(C9H5CH2CH2G)(C2B10H10)Sm}2(μ-Cl)][Li(THF)4] (G = NMe2and OMe)","Organometallics","2001","20","17","3624","","10.1021/om010157f","","","0.71073","MoKα","","0.3176","0.0881","","","0.181","0.2617","","","","","","0.807","","","","has coordinates","178662","2020-10-21","18:00:00","" "4077310","8.3531","0.0013","10.006","0.003","15.03","0.003","74.452","0.007","76.372","0.003","73.973","0.003","1145.4","0.5","180.2","","180.2","","","","","","","","","5","P -1","-P 1","2","","","","- C22 H33 N2 O4 P -","- C22 H33 N2 O4 P -","- C44 H66 N4 O8 P2 -","2","1","","Braunstein, Pierre; Naud, Frédéric; Dedieu, Alain; Rohmer, Marie-Madeleine; DeCian, André; Rettig, Steven J.","Palladium Complexes with a New Hemilabile Bis(oxazoline)phenylphosphonite Ligand. Characterization of an Unprecedented Chloro Palladium(II)−(η1-Allyl) Complex‖","Organometallics","2001","20","14","2966","","10.1021/om010165w","","","0.7107","MoKα","","0.0902","0.0902","","0.0715","","0.0715","","","1.071","","","1.071","","","","has coordinates","201982","2020-10-21","18:00:00","" "4077311","10.7713","0.0008","18.049","0.003","17.5134","0.0006","90","","91.9285","0.0006","90","","3402.9","0.6","180.2","","180.2","","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C26.67 H40.33 B2 F8 N3.33 O4.5 P Pd -","- C25.75 H36 B2 F8 N3.33 O4 P Pd -","- C103 H144 B8 F32 N13.32 O16 P4 Pd4 -","4","1","","Braunstein, Pierre; Naud, Frédéric; Dedieu, Alain; Rohmer, Marie-Madeleine; DeCian, André; Rettig, Steven J.","Palladium Complexes with a New Hemilabile Bis(oxazoline)phenylphosphonite Ligand. Characterization of an Unprecedented Chloro Palladium(II)−(η1-Allyl) Complex‖","Organometallics","2001","20","14","2966","","10.1021/om010165w","","","0.7107","MoKα","","0.094","0.094","","0.0777","","0.0777","","","1.032","","","1.032","","","","has coordinates","176467","2020-10-21","18:00:00","" "4077312","15.6689","0.0005","10.0997","0.0004","17.5458","0.0003","90","","100.359","0.002","90","","2731.39","0.15","173","","173","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C25 H38 Cl N2 O4 P Pd -","- C25 H38 Cl N2 O4 P Pd -","- C100 H152 Cl4 N8 O16 P4 Pd4 -","4","1","","Braunstein, Pierre; Naud, Frédéric; Dedieu, Alain; Rohmer, Marie-Madeleine; DeCian, André; Rettig, Steven J.","Palladium Complexes with a New Hemilabile Bis(oxazoline)phenylphosphonite Ligand. Characterization of an Unprecedented Chloro Palladium(II)−(η1-Allyl) Complex‖","Organometallics","2001","20","14","2966","","10.1021/om010165w","","","0.71073","Mo-Kα","","0.043","0.037","","0.059","","0.057","","","1.167","","","1.16","","","","has coordinates","178662","2020-10-21","18:00:00","" "4077313","15.6134","0.0002","15.6134","0.0002","35.2061","0.0005","90","","90","","120","","7432.65","0.17","150","2","150","2","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","","","- C42 H57 Br3 N6 Pd3 -","- C42 H57 Br3 N6 Pd3 -","- C252 H342 Br18 N36 Pd18 -","6","0.166667","","Dijkstra, Harm P.; Meijer, Michel D.; Patel, Jim; Kreiter, Rob; van Klink, Gerard P. M.; Lutz, Martin; Spek, Anthony L.; Canty, Allan J.; van Koten, Gerard","Design and Performance of Rigid Nanosize Multimetallic Cartwheel Pincer Compounds as Lewis-Acid Catalysts","Organometallics","2001","20","14","3159","","10.1021/om0101689","","","0.71073","MoKα","","0.0288","0.0281","","","0.067","0.0674","","","","","","1.125","","","","has coordinates","178662","2020-10-21","18:00:00","" "4077314","21.173","0.002","11.348","0.003","24.742","0.003","90","","110.146","0.007","90","","5581.1","1.7","296.2","","296.2","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C66 H53 Cl P4 Ru -","- C66 H53 Cl P4 Ru -","- C264 H212 Cl4 P16 Ru4 -","4","1","","Hurst, Stephanie K.; Cifuentes, Marie P.; Morrall, Joseph P. L.; Lucas, Nigel T.; Whittall, Ian R.; Humphrey, Mark G.; Asselberghs, Inge; Persoons, André; Samoc, Marek; Luther-Davies, Barry; Willis, Anthony C.","Organometallic Complexes for Nonlinear Optics. 22.1Quadratic and Cubic Hyperpolarizabilities oftrans-Bis(bidentate phosphine)ruthenium σ-Arylvinylidene and σ-Arylalkynyl Complexes","Organometallics","2001","20","22","4664","","10.1021/om0101700","","","1.5418","CuKα","","0.1188","0.0492","","0.0672","","0.0567","","","1.44","","","1.709","","","","has coordinates","176467","2020-10-21","18:00:00","" "4077315","9.332","0.002","13.002","0.003","23.879","0.009","93.71","0.03","93.95","0.03","99.47","0.02","2842.6","1.4","296.2","","296.2","","","","","","","","","6","P -1","-P 1","2","","","","- C62.75 H56.5 Cl4.5 O P4 Ru -","- C62 H54.8 Cl4.5 O1.002 P4 Ru -","- C124 H109.6 Cl9 O2.004 P8 Ru2 -","2","1","","Hurst, Stephanie K.; Cifuentes, Marie P.; Morrall, Joseph P. L.; Lucas, Nigel T.; Whittall, Ian R.; Humphrey, Mark G.; Asselberghs, Inge; Persoons, André; Samoc, Marek; Luther-Davies, Barry; Willis, Anthony C.","Organometallic Complexes for Nonlinear Optics. 22.1Quadratic and Cubic Hyperpolarizabilities oftrans-Bis(bidentate phosphine)ruthenium σ-Arylvinylidene and σ-Arylalkynyl Complexes","Organometallics","2001","20","22","4664","","10.1021/om0101700","","","0.7107","MoKα","","0.0958","0.0421","","0.0534","","0.0477","","","1.784","","","2.018","","","","has coordinates","176467","2020-10-21","18:00:00","" "4077316","12.828","0.002","13.39","0.002","18.949","0.002","88.9","0.01","85","0.01","63.493","0.009","2900.9","0.7","193.2","","193.2","","","","","","","","","7","P -1","-P 1","2","","","","- C68.5 H59 Cl2 N O2 P4 Ru -","- C68.5 H59 Cl2 N O2 P4 Ru -","- C137 H118 Cl4 N2 O4 P8 Ru2 -","2","1","","Hurst, Stephanie K.; Cifuentes, Marie P.; Morrall, Joseph P. L.; Lucas, Nigel T.; Whittall, Ian R.; Humphrey, Mark G.; Asselberghs, Inge; Persoons, André; Samoc, Marek; Luther-Davies, Barry; Willis, Anthony C.","Organometallic Complexes for Nonlinear Optics. 22.1Quadratic and Cubic Hyperpolarizabilities oftrans-Bis(bidentate phosphine)ruthenium σ-Arylvinylidene and σ-Arylalkynyl Complexes","Organometallics","2001","20","22","4664","","10.1021/om0101700","","","1.5418","CuKα","","0.0671","0.0456","","0.0674","","0.0628","","","1.551","","","1.669","","","","has coordinates","176467","2020-10-21","18:00:00","" "4077317","7.601","0.0008","10.8409","0.0011","13.0416","0.0014","65.856","0.002","82.467","0.002","88.612","0.002","971.66","0.18","300","2","300","2","","","","","","","","4","P -1","-P 1","2","","","","- C46 H48 Fe4 N2 -","- C46 H48 Fe4 N2 -","- C46 H48 Fe4 N2 -","1","0.5","","Alvarez, Julio; Ren, Tong; Kaifer, Angel E.","Redox Potential Selection in a New Class of Dendrimers Containing Multiple Ferrocene Centers","Organometallics","2001","20","16","3543","","10.1021/om0101792","","","0.71073","MoKα","","0.0386","0.0297","","","0.0718","0.0745","","","","","","0.915","","","","has coordinates","178662","2020-10-21","18:00:00","" "4077318","16.2491","0.0007","10.1974","0.0005","25.6676","0.0012","90","","91.009","0.001","90","","4252.4","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C47 H51 Fe4 I N2 -","- C47 H51 Fe4 I N2 -","- C188 H204 Fe16 I4 N8 -","4","1","","Alvarez, Julio; Ren, Tong; Kaifer, Angel E.","Redox Potential Selection in a New Class of Dendrimers Containing Multiple Ferrocene Centers","Organometallics","2001","20","16","3543","","10.1021/om0101792","","","0.71073","MoKα","","0.0562","0.0328","","","0.0714","0.0871","","","","","","0.933","","","","has coordinates,has disorder","178662","2020-10-21","18:00:00","" "4077319","16.6947","0.0002","10.3351","0.0002","10.1463","0.0002","90","","90","","90","","1750.66","0.05","150","1","150","1","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C14 H22 Cl2 N4 Zr -","- C14 H22 Cl2 N4 Zr -","- C56 H88 Cl8 N16 Zr4 -","4","1","","Huang, Jui-Hsien; Chi, Liang-Sheng; Yu, Ru-Ching; Jiang, George J.; Yang, Wei-Ta; Lee, Gene-Hsiang; Peng, Shie-Ming","Zirconium Complexes Containing Bidentate Pyrrole Ligands: Synthesis, Structural Characterization, and Ethylene Polymerization","Organometallics","2001","20","26","5788","","10.1021/om010198b","","","0.71073","MoKα","","0.0348","0.0284","","0.0563","0.0547","","","","1.042","1.062","1.062","","","","","has coordinates","178662","2020-10-21","18:00:00","" "4077320","9.7085","0.0002","13.6008","0.0003","18.1659","0.0004","90","","104.013","0.001","90","","2327.3","0.09","150","1","150","1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C21 H33 Cl N6 Zr -","- C21 H33 Cl N6 Zr -","- C84 H132 Cl4 N24 Zr4 -","4","2","","Huang, Jui-Hsien; Chi, Liang-Sheng; Yu, Ru-Ching; Jiang, George J.; Yang, Wei-Ta; Lee, Gene-Hsiang; Peng, Shie-Ming","Zirconium Complexes Containing Bidentate Pyrrole Ligands: Synthesis, Structural Characterization, and Ethylene Polymerization","Organometallics","2001","20","26","5788","","10.1021/om010198b","","","0.71073","MoKα","","0.0407","0.0335","","0.0627","0.0601","","","","1.016","1.026","1.026","","","","","has coordinates","178662","2020-10-21","18:00:00","" "4077321","11.741","0.0001","11.741","0.0001","27.337","0.0002","90","","90","","120","","3263.56","0.05","243","","243","","","","","","","","see text","4","P 32","P 32","145","","","","- C32 H80 Al4 Yb2 -","- C32 H80 Al4 Yb2 -","- C96 H240 Al12 Yb6 -","3","1","","Klimpel, Michael G.; Anwander, Reiner; Tafipolsky, Maxim; Scherer, Wolfgang","Peralkylated Ytterbium(II) Aluminate Complexes YbAl2R8. New Insights into the Nature of Aluminate Coordination","Organometallics","2001","20","19","3983","","10.1021/om0102091","","","0.71073","MoKα","","0.0248","0.0241","","","0.059","0.0595","","","","","","1.079","","","","has coordinates","178662","2020-10-21","18:00:00","" "4077322","15.5935","0.0006","14.1245","0.0005","19.3648","0.0007","90","","113.759","0.001","90","","3903.6","0.2","193","","193","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C22.5 H27 N O -","- C26 H31 N O -","- C208 H248 N8 O8 -","8","1","","Hicks, Frederick A.; Brookhart, Maurice","A Highly Active Anilinotropone-Based Neutral Nickel(II) Catalyst for Ethylene Polymerization","Organometallics","2001","20","15","3217","","10.1021/om010211s","","","0.71073","MolybdenumKα","","0.073","0.062","","0.079","0.077","","","","","4.25","4.25","","","","","has coordinates","176467","2020-10-21","18:00:00","" "4077323","11.4191","0.0005","15.3128","0.0007","20.2682","0.001","90","","100.509","0.001","90","","3484.6","0.3","193","","193","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C43 H42 N Ni O P -","- C43 H42 N Ni O P -","- C172 H168 N4 Ni4 O4 P4 -","4","1","","Hicks, Frederick A.; Brookhart, Maurice","A Highly Active Anilinotropone-Based Neutral Nickel(II) Catalyst for Ethylene Polymerization","Organometallics","2001","20","15","3217","","10.1021/om010211s","","","0.71073","MolybdenumKα","","0.082","0.066","","0.089","0.086","","","","","2.52","2.52","","","","","has coordinates","176467","2020-10-21","18:00:00","" "4077324","8.542","0.002","10.452","0.002","34.198","0.006","90","","91.18","0.02","90","","3052.6","1.1","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C26 H17 O11 Os3 P S -","- C26 H17 O11 Os3 P S -","- C104 H68 O44 Os12 P4 S4 -","4","1","","Persson, Roger; Monari, Magda; Gobetto, Roberto; Russo, Andrea; Aime, Silvio; Calhorda, Maria José; Nordlander, Ebbe","Synthesis and Characterization of Triosmium Clusters Containing the Bidentate Ligand Ph2PCH2CH2SMe: Detection of an Isomerization Reaction Involving Bridging and Chelating Ligand Coordination Modes","Organometallics","2001","20","20","4150","","10.1021/om010223d","","","0.71069","MoKα","","0.1038","0.0525","","0.1548","0.1261","","","","0.957","1.088","1.088","","","","","has coordinates","178662","2020-10-21","18:00:00","" "4077325","11.415","0.007","11.413","0.003","11.94","0.005","93.02","0.03","95.65","0.04","111.47","0.04","1433.9","1.2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C25 H17 O10 Os3 P S -","- C25 H17 O10 Os3 P S -","- C50 H34 O20 Os6 P2 S2 -","2","1","","Persson, Roger; Monari, Magda; Gobetto, Roberto; Russo, Andrea; Aime, Silvio; Calhorda, Maria José; Nordlander, Ebbe","Synthesis and Characterization of Triosmium Clusters Containing the Bidentate Ligand Ph2PCH2CH2SMe: Detection of an Isomerization Reaction Involving Bridging and Chelating Ligand Coordination Modes","Organometallics","2001","20","20","4150","","10.1021/om010223d","","","0.71069","MoKα","","0.1016","0.0526","","0.1606","0.1378","","","","1.027","1.147","1.147","","","","","has coordinates","178662","2020-10-21","18:00:00","" "4077326","8.661","0.006","16.427","0.009","11.028","0.008","90","","111.96","0.05","90","","1455.2","1.7","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C25 H17 O10 Os3 P S -","- C25 H17 O10 Os3 P S -","- C50 H34 O20 Os6 P2 S2 -","2","1","","Persson, Roger; Monari, Magda; Gobetto, Roberto; Russo, Andrea; Aime, Silvio; Calhorda, Maria José; Nordlander, Ebbe","Synthesis and Characterization of Triosmium Clusters Containing the Bidentate Ligand Ph2PCH2CH2SMe: Detection of an Isomerization Reaction Involving Bridging and Chelating Ligand Coordination Modes","Organometallics","2001","20","20","4150","","10.1021/om010223d","","","0.71069","MoKα","","0.0421","0.0335","","0.0938","0.0904","","","","1.055","1.08","1.08","","","","","has coordinates","178662","2020-10-21","18:00:00","" "4077327","11.9163","0.0006","22.1179","0.0011","22.3515","0.0011","90","","98.903","0.001","90","","5820.1","0.5","213","2","213","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C62 H54 N2 O5 P4 Ru2 -","- C65 H58 N2 O6 P4 Ru2 -","- C260 H232 N8 O24 P16 Ru8 -","4","1","","Gao, Yuan; Jennings, Michael C.; Puddephatt, Richard J.; Jenkins, Hilary A.","Synthesis and Reactivity of a Diruthenium Diazoalkane Complex","Organometallics","2001","20","16","3500","","10.1021/om0102293","","","0.71073","MoKα","","0.0672","0.0473","","","0.1333","0.1474","","","","","","1.086","","","","has coordinates","178662","2020-10-21","18:00:00","" "4077328","15.293","0.0012","15.293","0.0012","27.764","0.002","90","","90","","90","","6493.3","0.9","200","2","200","2","","","","","","","","7","P 41 21 2","P 4abw 2nw","92","","","","- C65.5 H50 Cl N2 O5 P4 Ru2 -","- C65.5 H50 Cl N2 O5 P4 Ru2 -","- C262 H200 Cl4 N8 O20 P16 Ru8 -","4","0.5","","Gao, Yuan; Jennings, Michael C.; Puddephatt, Richard J.; Jenkins, Hilary A.","Synthesis and Reactivity of a Diruthenium Diazoalkane Complex","Organometallics","2001","20","16","3500","","10.1021/om0102293","","","0.71073","MoKα","","0.2192","0.078","","","0.1599","0.1952","","","","","","0.927","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00","" "4077329","15.1244","0.0006","15.1244","0.0006","28.291","0.0015","90","","90","","90","","6471.5","0.5","223","2","223","2","","","","","","","","6","P 43 21 2","P 4nw 2abw","96","","","","- C66 H57 N2 O5 P4 Ru2 -","- C66 H57 N2 O5 P4 Ru2 -","- C264 H228 N8 O20 P16 Ru8 -","4","0.5","","Gao, Yuan; Jennings, Michael C.; Puddephatt, Richard J.; Jenkins, Hilary A.","Synthesis and Reactivity of a Diruthenium Diazoalkane Complex","Organometallics","2001","20","16","3500","","10.1021/om0102293","","","0.71073","MoKα","","0.0747","0.0576","","","0.1495","0.1602","","","","","","1.106","","","","has coordinates,has disorder","178662","2020-10-21","18:00:00","" "4077330","18.5555","0.0004","18.5555","0.0004","20.0822","0.0004","90","","90","","90","","6914.4","0.3","150","2","150","2","","","","","","","","9","P 42 21 2","P 4n 2n","94","","","","- C59 H46 B2 Cl2 F8 N2 O6 P4 Ru2 -","- C59 H46 B2 Cl2 F8 N2 O6 P4 Ru2 -","- C236 H184 B8 Cl8 F32 N8 O24 P16 Ru8 -","4","0.5","","Gao, Yuan; Jennings, Michael C.; Puddephatt, Richard J.; Jenkins, Hilary A.","Synthesis and Reactivity of a Diruthenium Diazoalkane Complex","Organometallics","2001","20","16","3500","","10.1021/om0102293","","","0.71073","MoKα","","0.098","0.0824","","","0.2251","0.2377","","","","","","1.064","","","","has coordinates,has disorder","178662","2020-10-21","18:00:00","" "4077331","13.329","0.005","13.899","0.005","13.969","0.006","86.12","0.07","81.26","0.04","86.62","0.07","2548.9","1.8","293","2","293","2","","","","","","","","8","P -1","-P 1","2","","","","- C100 H92 Au2 Cl4 F12 N4 P8 Ru -","- C100 H92 Au2 Cl4 F12 N4 P8 Ru -","- C100 H92 Au2 Cl4 F12 N4 P8 Ru -","1","0.5","","Mosquera, Marta E. G.; Ruiz, Javier; Riera, Víctor; García-Granda, Santiago; Díaz, M. R.; Bois, Claudette","Synthesis of the Metal-Containing Dinitrile Ligandtrans-[Ru(CNtBu)2{(PPh2)2CCN}2] as a Precursor of Polymetallic Species†","Organometallics","2001","20","17","3821","","10.1021/om010243f","","","0.71073","MoKα","","0.1755","0.0601","","","0.1655","0.2062","","","","","","1.027","","","","has coordinates","178662","2020-10-21","18:00:00","" "4077332","28.721","0.007","10.45","0.002","18.866","0.004","90","","100.5","0.02","90","","5568","2","223","2","223","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C23 H44 N4 Si2 Ti -","- C23 H44 N4 Si2 Ti -","- C184 H352 N32 Si16 Ti8 -","8","1","","Trösch, Dominique J. M.; Collier, Philip E.; Bashall, Alan; Gade, Lutz H.; McPartlin, Mary; Mountford, Philip; Radojevic, Sanja","C−N Coupling Reactions of Allenes and Methylacetylenes with an Imidotitanium Complex","Organometallics","2001","20","15","3308","","10.1021/om010253g","","","0.71073","MoKα","","0.1821","0.0665","","","0.0983","0.1221","","","","","","0.862","","","","has coordinates","178662","2020-10-21","18:00:00","" "4077333","21.06","0.005","10.25","0.004","30.243","0.012","90","","90","","90","","6528","4","293","2","293","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C28 H46 N4 Si2 Ti -","- C28 H46 N4 Si2 Ti -","- C224 H368 N32 Si16 Ti8 -","8","2","","Trösch, Dominique J. M.; Collier, Philip E.; Bashall, Alan; Gade, Lutz H.; McPartlin, Mary; Mountford, Philip; Radojevic, Sanja","C−N Coupling Reactions of Allenes and Methylacetylenes with an Imidotitanium Complex","Organometallics","2001","20","15","3308","","10.1021/om010253g","","","0.71073","MoKα","","0.2633","0.098","","","0.2162","0.2802","","","","","","0.904","","","","has coordinates,has disorder","178662","2020-10-21","18:00:00","" "4077334","17.052","0.003","13.883","0.003","22.56","0.005","90","","102.14","0.03","90","","5221.3","1.9","123","2","123","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C46 H84 Na O8 S2 U -","- C44 H80 Na O7.5 S2 U -","- C176 H320 Na4 O30 S8 U4 -","4","1","","Arliguie, Thérèse; Lescop, Christophe; Ventelon, Lionel; Leverd, Pascal C.; Thuéry, Pierre; Nierlich, Martine; Ephritikhine, Michel","C−H and C−S Bond Cleavage in Uranium(III) Thiolato Complexes","Organometallics","2001","20","17","3698","","10.1021/om0102551","","","0.71073","MoKα","","0.0608","0.0447","","0.1171","0.102","","","","1.217","1.198","1.198","","","","","has coordinates","178662","2020-10-21","18:00:00","" "4077335","10.7635","0.0011","21.759","0.002","19.8422","0.0012","90","","94.511","0.006","90","","4632.7","0.7","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C42 H75 Na O8 S2 U -","- C42 H75 Na O8 S2 U -","- C168 H300 Na4 O32 S8 U4 -","4","1","","Arliguie, Thérèse; Lescop, Christophe; Ventelon, Lionel; Leverd, Pascal C.; Thuéry, Pierre; Nierlich, Martine; Ephritikhine, Michel","C−H and C−S Bond Cleavage in Uranium(III) Thiolato Complexes","Organometallics","2001","20","17","3698","","10.1021/om0102551","","","0.71073","MoKα","","0.1336","0.0584","","","0.0948","0.1167","","","","","","1.008","","","","has coordinates","178662","2020-10-21","18:00:00","" "4077336","14.3481","0.0016","16.0906","0.0018","21.811","0.002","106.145","0.002","105.365","0.002","98.694","0.002","4524.5","0.8","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C148 H264 B40 Na8 O20 Si4 Yb3 -","- C74 H122 B20 Na4 O10 Si2 Yb1.5 -","- C148 H244 B40 Na8 O20 Si4 Yb3 -","2","1","","Wang, Shaowu; Li, Hung-Wing; Xie, Zuowei","A Novel Full-Sandwich Lanthanacarborane Complex Bearing anη7-Carboranyl Ligand, {{[η7-Me2Si(C13H9)(C2B10H11)]2YbIII}2YbII}{Na8(THF)20}","Organometallics","2001","20","18","3842","","10.1021/om0102605","","","0.71073","MoKα","","0.1799","0.074","","","0.1799","0.2292","","","","","","0.88","","","","has coordinates","178662","2020-10-21","18:00:00","" "4077337","11.5832","0.001","12.6341","0.001","15.697","0.001","90.619","0.01","109.471","0.01","110.541","0.01","2006.7","0.3","203","2","203","2","","","","","","","","5","P -1","-P 1","2","Titanocene bis(pentafluoro)hydridoborate","","","- C44 H24 B2 F20 Ti2 -","- C22 H12 B F10 Ti -","- C88 H48 B4 F40 Ti4 -","4","2","","Plečnik, Christine E.; Liu, Fu-Chen; Liu, Shengming; Liu, Jianping; Meyers, Edward A.; Shore, Sheldon G.","Hydride Ion Abstraction from Titanocene Cyclic Organohydroborates, Cp2Ti{(μ-H)2BR2} (R2= C4H8, C5H10, C8H14), as a Function of Solvent","Organometallics","2001","20","16","3599","","10.1021/om010267m","","","0.71073","MoKα","","0.0779","0.0526","","","0.1232","0.1323","","","","","","1.078","","","","has coordinates","178662","2020-10-21","18:00:00","" "4077338","14.8789","0.001","52.512","0.002","14.9146","0.001","90","","114.85","0.01","90","","10574.1","1.4","193","2","193","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C108 H93 B3 F45 O6 Ti3 -","- C108 H93 B3 F45 O6 Ti3 -","- C432 H372 B12 F180 O24 Ti12 -","4","1","","Plečnik, Christine E.; Liu, Fu-Chen; Liu, Shengming; Liu, Jianping; Meyers, Edward A.; Shore, Sheldon G.","Hydride Ion Abstraction from Titanocene Cyclic Organohydroborates, Cp2Ti{(μ-H)2BR2} (R2= C4H8, C5H10, C8H14), as a Function of Solvent","Organometallics","2001","20","16","3599","","10.1021/om010267m","","","0.71073","MoKα","","0.1235","0.0663","","","0.1563","0.1799","","","","","","1.031","","","","has coordinates,has disorder","178662","2020-10-21","18:00:00","" "4077339","11.2843","0.001","13.5838","0.001","22.5922","0.001","90","","102.518","0.01","90","","3380.7","0.4","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C36 H27 B F15 O2 Ti -","- C36 H27 B F15 O2 Ti -","- C144 H108 B4 F60 O8 Ti4 -","4","1","","Plečnik, Christine E.; Liu, Fu-Chen; Liu, Shengming; Liu, Jianping; Meyers, Edward A.; Shore, Sheldon G.","Hydride Ion Abstraction from Titanocene Cyclic Organohydroborates, Cp2Ti{(μ-H)2BR2} (R2= C4H8, C5H10, C8H14), as a Function of Solvent","Organometallics","2001","20","16","3599","","10.1021/om010267m","","","0.71073","MoKα","","0.0656","0.0377","","","0.0778","0.0857","","","","","","1.011","","","","has coordinates","178662","2020-10-21","18:00:00","" "4077343","9.32","0.008","17.77","0.009","16.396","0.003","90","","95.34","0.04","90","","2704","3","223","2","223","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C35 H23 Cl2 N O5 Ru2 -","- C34 H21 Cl N O5 Ru2 -","- C136 H84 Cl4 N4 O20 Ru8 -","4","1","","Cabeza, Javier A.; del Río, Ignacio; Grepioni, Fabrizia; Moreno, Marta; Riera, Víctor; Suárez, Marta","Reactivity of [Ru2(μ-η1:η1-NCPh2)(μ-η1:η2-PhCCHPh)(CO)6] with Alkynes. Insertion Reactions of Nonactivated Alkynes into Ru−C and Ru−N Bonds","Organometallics","2001","20","20","4190","","10.1021/om0102854","","","0.71069","MoKα","","0.1244","0.06","","","0.1584","0.1931","","","","","","0.969","","","","has coordinates,has disorder","178662","2020-10-21","18:00:00","" "4077344","13.344","0.004","15.089","0.008","16.088","0.008","78.35","0.04","82.92","0.03","73.35","0.03","3032","2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C39 H27 N O2 Ru -","- C39 H27 N O2 Ru -","- C156 H108 N4 O8 Ru4 -","4","2","","Cabeza, Javier A.; del Río, Ignacio; Grepioni, Fabrizia; Moreno, Marta; Riera, Víctor; Suárez, Marta","Reactivity of [Ru2(μ-η1:η1-NCPh2)(μ-η1:η2-PhCCHPh)(CO)6] with Alkynes. Insertion Reactions of Nonactivated Alkynes into Ru−C and Ru−N Bonds","Organometallics","2001","20","20","4190","","10.1021/om0102854","","","0.71069","MoKα","","0.1312","0.0493","","","0.1256","0.1667","","","","","","0.886","","","","has coordinates","178662","2020-10-21","18:00:00","" "4077345","15.278","0.001","12.315","0.001","21.953","0.001","90","","90.75","0.01","90","","4130.1","0.5","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C46.5 H34 N O4.5 Ru2 -","- C46.5 H34 N O4.5 Ru2 -","- C186 H136 N4 O18 Ru8 -","4","1","","Cabeza, Javier A.; del Río, Ignacio; Grepioni, Fabrizia; Moreno, Marta; Riera, Víctor; Suárez, Marta","Reactivity of [Ru2(μ-η1:η1-NCPh2)(μ-η1:η2-PhCCHPh)(CO)6] with Alkynes. Insertion Reactions of Nonactivated Alkynes into Ru−C and Ru−N Bonds","Organometallics","2001","20","20","4190","","10.1021/om0102854","","","0.71073","MoKα","","0.204","0.044","","","0.0849","0.1104","","","","","","0.916","","","","has coordinates","176467","2020-10-21","18:00:00","" "4077346","15.165","0.0003","17.131","0.0002","20.941","0.0003","90","","90","","90","","5440.3","0.15","180","2","180","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C53 H30 Co N O16 P2 Ru5 -","- C53 H30 Co N O16 P2 Ru5 -","- C212 H120 Co4 N4 O64 P8 Ru20 -","4","1","","Dyson, Paul J.; Hearley, Andrew K.; Johnson, Brian F. G.; Khimyak, Tetyana; McIndoe, J. Scott; Langridge-Smith, Patrick R. R.","Mass Spectrometric Method for the Rapid Characterization of Transition Metal Carbonyl Cluster Reaction Mixtures","Organometallics","2001","20","19","3970","","10.1021/om0103005","","","0.7107","MoKα","","0.0541","0.035","","","0.0601","0.0658","","","","","","1.009","","","","has coordinates,has disorder","178662","2020-10-21","18:00:00","" "4077347","14.007","0.003","11.252","0.002","20.389","0.004","90","","100.52","0.03","90","","3159.4","1.1","200","2","200","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C34 H21 B F15 Ti -","- C34 H21 B F15 Ti -","- C136 H84 B4 F60 Ti4 -","4","1","","Burlakov, V. V.; Arndt, P.; Baumann, W.; Spannenberg, A.; Rosenthal, U.; Letov, A. V.; Lyssenko, K. A.; Korlyukov, A. A.; Strunkina, L. I.; Minacheva, M. Kh.; Shur, V. B.","Synthesis and X-ray Crystal Structure Determination of New Zwitterionic Complexes of Titanocene","Organometallics","2001","20","19","4072","","10.1021/om0103052","","","0.71073","MoKα","","0.0532","0.0373","","","0.083","0.0869","","","","","","0.935","","","","has coordinates","178662","2020-10-21","18:00:00","" "4077348","11.198","0.003","45.383","0.013","24.336","0.007","90","","91.4","0.03","90","","12364","6","110","2","110","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C70 H34 B2 F30 O Ti2 -","- C70 H34 B2 F30 O Ti2 -","- C560 H272 B16 F240 O8 Ti16 -","8","2","","Burlakov, V. V.; Arndt, P.; Baumann, W.; Spannenberg, A.; Rosenthal, U.; Letov, A. V.; Lyssenko, K. A.; Korlyukov, A. A.; Strunkina, L. I.; Minacheva, M. Kh.; Shur, V. B.","Synthesis and X-ray Crystal Structure Determination of New Zwitterionic Complexes of Titanocene","Organometallics","2001","20","19","4072","","10.1021/om0103052","","","0.71073","MoKα","","0.1565","0.053","","","0.0815","0.0946","","","","","","0.884","","","","has coordinates,has disorder","178662","2020-10-21","18:00:00","" "4077349","15.585","0.003","22.012","0.004","20.934","0.004","90","","105.59","0.03","90","","6917","2","200","2","200","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C75 H50 B2 F30 O Ti2 -","- C75 H49 B2 F30 O Ti2 -","- C300 H196 B8 F120 O4 Ti8 -","4","1","","Burlakov, V. V.; Arndt, P.; Baumann, W.; Spannenberg, A.; Rosenthal, U.; Letov, A. V.; Lyssenko, K. A.; Korlyukov, A. A.; Strunkina, L. I.; Minacheva, M. Kh.; Shur, V. B.","Synthesis and X-ray Crystal Structure Determination of New Zwitterionic Complexes of Titanocene","Organometallics","2001","20","19","4072","","10.1021/om0103052","","","0.71073","MoKα","","0.1366","0.0518","","","0.0924","0.1073","","","","","","0.757","","","","has coordinates","178662","2020-10-21","18:00:00","" "4077350","9.096","0.002","13.153","0.003","15.561","0.003","67.83","0.03","77.16","0.03","71.89","0.03","1627","0.7","200","2","200","2","","","","","","","","6","P -1","-P 1","2","","","","- C34.5 H19 B F15 O Ti -","- C34.5 H19 B F15 O Ti -","- C69 H38 B2 F30 O2 Ti2 -","2","1","","Burlakov, V. V.; Arndt, P.; Baumann, W.; Spannenberg, A.; Rosenthal, U.; Letov, A. V.; Lyssenko, K. A.; Korlyukov, A. A.; Strunkina, L. I.; Minacheva, M. Kh.; Shur, V. B.","Synthesis and X-ray Crystal Structure Determination of New Zwitterionic Complexes of Titanocene","Organometallics","2001","20","19","4072","","10.1021/om0103052","","","0.71073","MoKα","","0.0573","0.0418","","","0.1046","0.1117","","","","","","0.895","","","","has coordinates","176467","2020-10-21","18:00:00","" "4077351","15.1","0.0006","13.049","0.0005","18.633","0.0004","90","","97.705","0.002","90","","3638.3","0.2","175","","175","","","","","","","","[Nb(N-t-Bu){MeC(2-NC5H4)(CH2NSiMe3)2}Cl(py)] + Li[O-2,6-C6H3-i-Pr2]","6","P 1 21/n 1","-P 2yn","14","","[Nb(N-t-Bu){MeC(2-NC5H4)(CH2NSiMe3)2}(O-2,6-C6H3-i-Pr2)]","","- C31 H55 N4 Nb O Si2 -","- C31 H55 N4 Nb O Si2 -","- C124 H220 N16 Nb4 O4 Si8 -","4","1","","Pugh, Stephen M.; Trösch, Dominique J. M.; Skinner, Michael E. G.; Gade, Lutz H.; Mountford, Philip","Group 5 Imido Complexes Supported by Diamido−pyridine Ligands: Aryloxide, Amide, Benzamidinate, Alkyl, and Cyclopentadienyl Derivatives","Organometallics","2001","20","16","3531","","10.1021/om0103153","","","0.71069","MoKα","","","0.041","","","0.038","","","","","1.126","1.126","","","","","has coordinates","288252","2023-12-12","14:26:24","" "4077352","11.51","0.0003","11.93","0.0002","14.96","0.0004","96.504","0.002","98.04","0.001","92.121","0.002","2018.02","0.08","150","","150","","","","","","","","[Ta(N-2,6-C6H3-i-Pr2){MeC(2-NC5H4)(CH2NSiMe3)2}Cl(py)] + Li[O-2,6-C6H3-i-Pr2]","6","P -1","-P 1","2","","[Ta(N-2,6-C6H3-i-Pr2){MeC(2-NC5H4)(CH2NSiMe3)2}(O-2,6-C6H3-i-Pr2)]","","- C39 H63 N4 O Si2 Ta -","- C39 H63 N4 O Si2 Ta -","- C78 H126 N8 O2 Si4 Ta2 -","2","1","","Pugh, Stephen M.; Trösch, Dominique J. M.; Skinner, Michael E. G.; Gade, Lutz H.; Mountford, Philip","Group 5 Imido Complexes Supported by Diamido−pyridine Ligands: Aryloxide, Amide, Benzamidinate, Alkyl, and Cyclopentadienyl Derivatives","Organometallics","2001","20","16","3531","","10.1021/om0103153","","","0.71073","MoKα","","","0.0264","","","0.0295","","","","","1.0539","1.0539","","","","","has coordinates","288252","2023-12-12","14:26:24","" "4077353","11.296","0.006","17.556","0.007","18.07","0.01","92.37","0.05","93.16","0.05","92.05","0.04","3572","3","170","","170","","","","","","","","[Nb(NBu-t){MeC(2-NC5H4)(CH2NSiMe3)2}Cl(py)] + LiCH(SiMe3)2","5","P -1","-P 1","2","","[Nb(NBu-t){MeC(2-NC5H4)(CH2NSiMe3)2}{CH(SiMe3)2}]","","- C26 H57 N4 Nb Si4 -","- C26 H57 N4 Nb Si4 -","- C104 H228 N16 Nb4 Si16 -","4","2","","Pugh, Stephen M.; Trösch, Dominique J. M.; Skinner, Michael E. G.; Gade, Lutz H.; Mountford, Philip","Group 5 Imido Complexes Supported by Diamido−pyridine Ligands: Aryloxide, Amide, Benzamidinate, Alkyl, and Cyclopentadienyl Derivatives","Organometallics","2001","20","16","3531","","10.1021/om0103153","","","1.5418","CuKα","","","0.0531","","","0.0615","","","","","0.992","0.992","","","","","has coordinates","211332","2020-10-21","18:00:00","" "4077354","12.0939","0.0001","9.9872","0.0001","23.5615","0.0002","90","","94.437","0.001","90","","2837.33","0.04","203","2","203","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C34 H28 O4 Ru -","- C34 H28 O4 Ru -","- C136 H112 O16 Ru4 -","4","1","","Jung, Hyun Min; Shin, Seung Tae; Kim, Yu Hwan; Kim, Mahn-Joo; Park, Jaiwook","X-ray Structure and Reactivity of (η4-tetraphenylcyclopentadienone)(CO)2Ru(HOCHMe2): Unexpected Stability of the Neutral 2-Propanol−Ruthenium(0) Complex with Respect to β-Hydride Elimination","Organometallics","2001","20","16","3370","","10.1021/om0103198","","","0.71073","MoKα","","0.0334","0.0298","","","0.0837","0.0874","","","","","","1.123","","","","has coordinates","178662","2020-10-21","18:00:00","" "4077355","8.1835","0.0005","9.8676","0.0005","23.3327","0.0008","81.031","0.003","81.754","0.003","66.919","0.002","1705.1","0.15","180","2","180","2","","","","","","","","5","P -1","-P 1","2","","[{MeAs(NHCy)(NCy)}ZnMe]2","","- C28 H58 As2 N4 Zn2 -","- C28 H58 As2 N4 Zn2 -","- C56 H116 As4 N8 Zn4 -","2","1","","Bond, Andrew D.; Hopkins, Alexander D.; Rothenberger, Alexander; Wolf, Robert; Woods, Anthony D.; Wright, Dominic S.","Methyl Group Transfer from ZnMe2to Arsenic(III), an Alternative Pathway to Deprotonation of [CyNHAs(μ-NCy)]2","Organometallics","2001","20","22","4454","","10.1021/om010326w","","","0.71073","MoKα","","0.1049","0.0446","","","0.1092","0.1354","","","","","","1.06","","","","has coordinates","178662","2020-10-21","18:00:00","" "4077356","9.5341","0.0001","18.7097","0.0002","22.0895","0.0003","110.188","0.0005","98.5576","0.0004","100.552","0.0007","3538.44","0.07","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C64 H62 B2 F8 N4 P2 Pt2 -","- C64 H62 B2 F8 N4 P2 Pt2 -","- C128 H124 B4 F16 N8 P4 Pt4 -","2","1","","Meijer, Michel D.; de Wolf, Elwin; Lutz, Martin; Spek, Anthony L.; van Klink, Gerard P. M.; van Koten, Gerard","C,N-2-[(Dimethylamino)methyl]phenylplatinum Complexes Functionalized with C60as Macromolecular Building Blocks","Organometallics","2001","20","20","4198","","10.1021/om010328g","","","0.71073","MoKα","","0.0576","0.0359","","","0.0745","0.0785","","","","","","1.002","","","","has coordinates","198633","2020-10-21","18:00:00","" "4077357","11.3671","0.0002","15.9864","0.0003","25.318","0.0005","79.612","0.001","86.334","0.001","75.126","0.001","4372.97","0.14","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C37 H43 B F10 N2 Si2 Zr -","- C37 H43 B F10 N2 Si2 Zr -","- C148 H172 B4 F40 N8 Si8 Zr4 -","4","2","","Woodman, Timothy J.; Thornton-Pett, Mark; Hughes, David L.; Bochmann, Manfred","B(C6F5)3as C6F5Transfer Agent in Zirconium Chemistry: Borole Sandwich and Borole-Bridged Triple-Decker Complexes","Organometallics","2001","20","19","4080","","10.1021/om010348i","","","0.71073","MoKα","","0.0962","0.0656","","","0.1603","0.1765","","","","","","1.032","","","","has coordinates","178662","2020-10-21","18:00:00","" "4077358","7.0669","0.0005","15.8404","0.001","9.7152","0.0006","90","","100.581","0.001","90","","1069.05","0.12","173","2","173","2","","","","","","","","5","P 1 n 1","P -2yac","7","","","","- C12 F2 O12 P2 Ru4 -","- C12 F2 O12 P2 Ru4 -","- C24 F4 O24 P4 Ru8 -","2","1","","Kahlal, Samia; Wang, Weibin; Scoles, Ludmila; Udachin, Konstantin A.; Saillard, Jean-Yves; Carty, Arthur J.","Synthesis, Structural, and Theoretical Analysis of Ru4(CO)12(μ-PF2)(μ4-P): Is the μ4-P Atom a Three-Electron or a Five-Electron Donor?","Organometallics","2001","20","22","4469","","10.1021/om010352u","","","0.7107","MoKα","","0.0507","0.0435","","","0.1196","0.1298","","","","","","1.097","","","","has coordinates","178662","2020-10-21","18:00:00","" "4077359","14.824","0.001","15.947","0.001","18.037","0.001","90","","108.25","0.01","90","","4049.4","0.5","140","2","140","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","DW3","","","- C38 H35 B F20 O3 Zn -","- C38 H35 B F20 O3 Zn -","- C152 H140 B4 F80 O12 Zn4 -","4","1","","Walker, Dennis A.; Woodman, Timothy J.; Hughes, David L.; Bochmann, Manfred","Reactions of Zinc Dialkyls with (Perfluorophenyl)boron Compounds: Alkylzinc Cation Formation vs C6F5Transfer","Organometallics","2001","20","17","3772","","10.1021/om0103557","","","0.71073","Mo-Kα","","0.0472","0.0358","","0.0953","0.089","","","","1.031","1.075","1.075","","","","","has coordinates","178662","2020-10-21","18:00:00","" "4077360","8.6414","0.0002","24.6807","0.0005","11.105","0.0003","90","","92.68","","90","","2365.84","0.1","150","2","150","2","","","","","","","","5","P 1 21 1","P 2yb","4","","(eta5:eta1-1-(2-phenyl-2-diphenylphosphinoethyl)indenyl)(carbonyl)rhodium","","- C30 H24 O P Rh -","- C30 H24 O P Rh -","- C120 H96 O4 P4 Rh4 -","4","2","","Brookings, Daniel C.; Harrison, Stephen A.; Whitby, Richard J.; Crombie, Barry; Jones, Ray V. H.","Induction of Planar Chirality in Formation of (η5:η1-1-(1-Cyclohexyl-2-(diphenylphosphino)ethyl)indenyl)carbonylrhodium and (η5:η1-1-(2-Phenyl-2- (diphenylphosphino)ethyl)indenyl)carbonylrhodium","Organometallics","2001","20","22","4574","","10.1021/om010367s","","","0.71073","MoKα","","0.0513","0.0444","","","0.0995","0.1023","","","","","","1.083","","","","has coordinates","178662","2020-10-21","18:00:00","" "4077361","17.055","0.003","16.304","0.003","17.645","0.004","90","","90","","90","","4906.5","1.7","150","2","150","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","(eta5:eta1-1-(1-cyclohexyl-2-diphenylphosphinoethyl)indenyl)(carbonyl)rhodium","","- C30 H30 O P Rh -","- C30 H30 O P Rh -","- C240 H240 O8 P8 Rh8 -","8","1","","Brookings, Daniel C.; Harrison, Stephen A.; Whitby, Richard J.; Crombie, Barry; Jones, Ray V. H.","Induction of Planar Chirality in Formation of (η5:η1-1-(1-Cyclohexyl-2-(diphenylphosphino)ethyl)indenyl)carbonylrhodium and (η5:η1-1-(2-Phenyl-2- (diphenylphosphino)ethyl)indenyl)carbonylrhodium","Organometallics","2001","20","22","4574","","10.1021/om010367s","","","0.71073","MoKα","","0.0972","0.0432","","","0.0764","0.0896","","","","","","0.945","","","","has coordinates","178662","2020-10-21","18:00:00","" "4077362","10.356","0.0006","12.1443","0.0008","22.0752","0.0015","90","","90","","90","","2776.3","0.3","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C20 H36 Al4 D10 N6 -","- C20 H46 Al4 N6 -","- C80 H184 Al16 N24 -","4","0.5","","Chang, Jr-Chiuan; Hung, Chen-Hsiung; Huang, Jui-Hsien","An Unusual Hydride-Bridged Aluminum Complex with a Square-Planar Tetraaluminum Core Stabilized by 2,5-Bis((Dimethylamino)methyl)pyrrole Ligands","Organometallics","2001","20","22","4445","","10.1021/om010368k","","","0.71073","MoKα","","0.1119","0.0307","","","0.0459","0.0539","","","","","","0.639","","","","has coordinates","178662","2020-10-21","18:00:00","" "4077363","11.7262","0.0015","9.0372","0.0012","12.8237","0.0017","90","","107.477","0.003","90","","1296.2","0.3","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C10 H20 Al N3 -","- C10 H20 Al N3 -","- C40 H80 Al4 N12 -","4","1","","Chang, Jr-Chiuan; Hung, Chen-Hsiung; Huang, Jui-Hsien","An Unusual Hydride-Bridged Aluminum Complex with a Square-Planar Tetraaluminum Core Stabilized by 2,5-Bis((Dimethylamino)methyl)pyrrole Ligands","Organometallics","2001","20","22","4445","","10.1021/om010368k","","","0.71073","MoKα","","0.0732","0.0384","","","0.0961","0.1027","","","","","","0.86","","","","has coordinates","178662","2020-10-21","18:00:00","" "4077364","8.1958","0.0005","15.8023","0.0009","16.6702","0.0009","90","","94.167","0.001","90","","2153.3","0.2","193","2","193","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C24 H12 B F10 O Ta -","- C24 H12 B F10 O Ta -","- C96 H48 B4 F40 O4 Ta4 -","4","1","","Cook, Kevin S.; Piers, Warren E.; Woo, Tom K.; McDonald, Robert","Reactions of Bis(pentafluorophenyl)borane with Cp2Ta(CH2)CH3: Generation and Trapping of Tantalocene Borataalkene Complexes","Organometallics","2001","20","18","3927","","10.1021/om010373o","","","0.71073","MoKα","","0.0505","0.0304","","","0.0518","0.0555","","","","","","0.9","","","","has coordinates","178662","2020-10-21","18:00:00","" "4077365","11.8653","0.0006","12.0354","0.0006","20.7314","0.0011","84.246","0.001","80.927","0.001","79.405","0.001","2865.9","0.3","293","2","293","2","","","","","","","","8","P -1","-P 1","2","","","","- C52.5 H57 Cl4 Cu Fe N4 O7 P2 -","- C52.5 H55.8 Cl4 Cu Fe N4 O7 P2 -","- C105 H111.6 Cl8 Cu2 Fe2 N8 O14 P4 -","2","1","","Cui, Da-Jun; Li, Qing-Shan; Xu, Feng-Bo; Leng, Xue-Bing; Zhang, Zheng-Zhi","First Heterobimetallic Seven-Membered Macrocycle Complex with a Fe(0) →Cu(I) Donor−Acceptor Bond","Organometallics","2001","20","19","4126","","10.1021/om010382x","","","0.71073","MoKα","","0.0844","0.0565","","","0.1654","0.1878","","","","","","1.046","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00","" "4077366","16.545","0.007","10.21","0.003","8.428","0.003","90","","104.77","0.04","90","","1376.7","0.9","296.2","","","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C26 H38 Br2 N4 Pd2 -","- C26 H38 Br2 N4 Pd2 -","- C52 H76 Br4 N8 Pd4 -","2","0.5","","Tsubomura, Taro; Tanihata, Takayuki; Yamakawa, Tetsuya; Ohmi, Rakuko; Tamane, Tsuyoshi; Higuchi, Akon; Katoh, Akira; Sakai, Ken","Synthesis and Structure of New Binuclear Organopalladium Macrocyclic Complexes","Organometallics","2001","20","18","3833","","10.1021/om0103862","","","0.7107","MoKα","","","0.0439","","","","0.1027","","","","","","0.975","","","","has coordinates","176467","2020-10-21","18:00:00","" "4077367","14.445","0.002","17.928","0.002","12.903","0.002","90","","90","","90","","3341.5","0.8","296.2","","","","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C27 H39 Br2 Cl3 N4 Pd2 -","- C27 H39 Br2 Cl3 N4 Pd2 -","- C108 H156 Br8 Cl12 N16 Pd8 -","4","0.5","","Tsubomura, Taro; Tanihata, Takayuki; Yamakawa, Tetsuya; Ohmi, Rakuko; Tamane, Tsuyoshi; Higuchi, Akon; Katoh, Akira; Sakai, Ken","Synthesis and Structure of New Binuclear Organopalladium Macrocyclic Complexes","Organometallics","2001","20","18","3833","","10.1021/om0103862","","","0.7107","MoKα","","","0.0485","","","","0.1151","","","","","","0.999","","","","has coordinates","176467","2020-10-21","18:00:00","" "4077368","7.437","0.001","8.818","0.001","11.819","0.001","78.24","0.01","80.97","0.01","81.65","0.01","744.25","0.15","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C11 H19 Cl N Nb O Si -","- C11 H19 Cl N Nb O Si -","- C22 H38 Cl2 N2 Nb2 O2 Si2 -","2","1","","Alcalde, M. Isabel; Gómez-Sal, M. Pilar; Royo, Pascual","Competitive Insertion of Isocyanide and Carbon Dioxide into Niobium− and Silicon−Amido Bonds","Organometallics","2001","20","22","4623","","10.1021/om0103963","","","0.71073","MoKα","","0.024","0.0219","","","0.0591","0.0604","","","","","","1.011","","","","has coordinates","178662","2020-10-21","18:00:00","" "4077369","12.2124","0.0006","11.1331","0.0005","12.7269","0.0006","90","","107.394","0.001","90","","1651.25","0.13","158","","158","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C36 H48 N2 O2 Y2 -","- C36 H48 N2 O2 Y2 -","- C72 H96 N4 O4 Y4 -","2","0.5","","Evans, William J.; Fujimoto, Cy H.; Ziller, Joseph W.","Organolanthanide-Based Coordination and Insertion Reactivity of the Anion Formed by Deprotonation of ε-Caprolactam","Organometallics","2001","20","22","4529","","10.1021/om010403n","","","0.71073","MoKα","","0.0296","0.0246","","","0.0554","0.058","","","","","","1.104","","","","has coordinates","178662","2020-10-21","18:00:00","" "4077370","8.6069","0.0007","21.0692","0.0016","13.5871","0.001","90","","90.721","0.001","90","","2463.7","0.3","158","2","158","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C26 H40 N O Y -","- C26 H40 N O Y -","- C104 H160 N4 O4 Y4 -","4","1","","Evans, William J.; Fujimoto, Cy H.; Ziller, Joseph W.","Organolanthanide-Based Coordination and Insertion Reactivity of the Anion Formed by Deprotonation of ε-Caprolactam","Organometallics","2001","20","22","4529","","10.1021/om010403n","","","0.71073","MoKα","","0.0678","0.0536","","","0.1499","0.1585","","","","","","1.066","","","","has coordinates,has disorder","178662","2020-10-21","18:00:00","" "4077371","10.8178","0.0014","14.9661","0.0019","17.994","0.002","90","","105.264","0.002","90","","2810.5","0.6","163","2","163","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C61 H88 N2 O6 Y2 -","- C61 H80 N2 O6 Y2 -","- C122 H160 N4 O12 Y4 -","2","0.5","","Evans, William J.; Fujimoto, Cy H.; Ziller, Joseph W.","Organolanthanide-Based Coordination and Insertion Reactivity of the Anion Formed by Deprotonation of ε-Caprolactam","Organometallics","2001","20","22","4529","","10.1021/om010403n","","","0.71073","MoKα","","0.1246","0.0537","","","0.1206","0.1495","","","","","","1.009","","","","has coordinates","178662","2020-10-21","18:00:00","" "4077372","10.0802","0.0006","20.5779","0.0013","15.0401","0.0009","90","","98.567","0.001","90","","3084.9","0.3","163","2","163","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C33 H45 N2 O2 Y -","- C33 H45 N2 O2 Y -","- C132 H180 N8 O8 Y4 -","4","1","","Evans, William J.; Fujimoto, Cy H.; Ziller, Joseph W.","Organolanthanide-Based Coordination and Insertion Reactivity of the Anion Formed by Deprotonation of ε-Caprolactam","Organometallics","2001","20","22","4529","","10.1021/om010403n","","","0.71073","MoKα","","0.0583","0.0367","","","0.0866","0.0971","","","","","","1.034","","","","has coordinates","211332","2020-10-21","18:00:00","" "4077373","10.561","0.0011","18.4443","0.0019","16.4911","0.0017","90","","106.588","0.002","90","","3078.6","0.6","163","2","163","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C31 H49 N2 O Y -","- C31 H49 N2 O Y -","- C124 H196 N8 O4 Y4 -","4","1","","Evans, William J.; Fujimoto, Cy H.; Ziller, Joseph W.","Organolanthanide-Based Coordination and Insertion Reactivity of the Anion Formed by Deprotonation of ε-Caprolactam","Organometallics","2001","20","22","4529","","10.1021/om010403n","","","0.71073","MoKα","","0.1053","0.055","","","0.1184","0.1422","","","","","","1.02","","","","has coordinates,has disorder","178662","2020-10-21","18:00:00","" "4077374","12.663","0.002","15.332","0.003","19.264","0.005","67.2","0.02","85.37","0.02","75.337","0.014","3334.9","1.3","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C150 H112 F20 N2 O2 P8 Pt3 -","- C150 H112 F20 N2 O2 P8 Pt3 -","- C150 H112 F20 N2 O2 P8 Pt3 -","1","0.5","","Alonso, Ester; Casas, José María; Forniés, Juan; Fortuño, Consuelo; Martín, Antonio; Orpen, A. Guy; Tsipis, Constantinos A.; Tsipis, Athanassios C.","Synthesis of Homo- or Hetero-trinuclear Palladium(II)/Platinum(II) Compounds with Bridging Phosphido Ligands. Crystal and Electronic Structures (DFT) of [N(PPh3)2]2[Pt3(μ-PPh2)4(C6F5)4] and of Its Oxidation Product [Pt3(C6F5)4(μ-PPh2)4]†","Organometallics","2001","20","26","5571","","10.1021/om010407s","","","0.71073","MoKα","","0.0487","0.0359","","0.0903","0.0843","","","","1.204","1.248","1.248","","","","","has coordinates","178662","2020-10-21","18:00:00","" "4077375","19.368","0.006","24.76","0.007","19.525","0.005","90","","117.9","0.02","90","","8275","4","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C77 H52 F20 P4 Pt3 -","- C77 H40 F20 P4 Pt3 -","- C308 H160 F80 P16 Pt12 -","4","0.5","","Alonso, Ester; Casas, José María; Forniés, Juan; Fortuño, Consuelo; Martín, Antonio; Orpen, A. Guy; Tsipis, Constantinos A.; Tsipis, Athanassios C.","Synthesis of Homo- or Hetero-trinuclear Palladium(II)/Platinum(II) Compounds with Bridging Phosphido Ligands. Crystal and Electronic Structures (DFT) of [N(PPh3)2]2[Pt3(μ-PPh2)4(C6F5)4] and of Its Oxidation Product [Pt3(C6F5)4(μ-PPh2)4]†","Organometallics","2001","20","26","5571","","10.1021/om010407s","","","0.71073","MoKα","","0.0824","0.0447","","0.122","0.0972","","","","1.027","1.058","1.058","","","","","has coordinates","178662","2020-10-21","18:00:00","" "4077376","10.502","0.0005","10.1884","0.0005","12.8778","0.0006","90","","105.341","0.004","90","","1328.81","0.11","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C14 H13 B F2 Fe O2 -","- C14 H13 B F2 Fe O2 -","- C56 H52 B4 F8 Fe4 O8 -","4","1","","Plażuk, Damian; Kłys, Arkadiusz; Zakrzewski, Janusz; Rybarczyk-Pirek, Agnieszka; Olszak, Tomasz A.","Direct Acetoacetylation of Ferrocene and a 1,1‘-Diphosphaferrocene","Organometallics","2001","20","22","4448","","10.1021/om010413o","","","1.54178","CuKα","","0.1145","0.0474","","","0.1067","0.1207","","","","","","0.843","","","","has coordinates","178662","2020-10-21","18:00:00","" "4077377","12.2294","0.0009","11.2742","0.0009","13.537","0.0007","90","","110.445","0.005","90","","1748.9","0.2","293","2","293","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C16 H19 B F2 Fe O2 P2 -","- C16 H19 B F2 Fe O2 P2 -","- C64 H76 B4 F8 Fe4 O8 P8 -","4","1","","Plażuk, Damian; Kłys, Arkadiusz; Zakrzewski, Janusz; Rybarczyk-Pirek, Agnieszka; Olszak, Tomasz A.","Direct Acetoacetylation of Ferrocene and a 1,1‘-Diphosphaferrocene","Organometallics","2001","20","22","4448","","10.1021/om010413o","","","1.54178","CuKα","","0.0955","0.0448","","","0.1074","0.1185","","","","","","0.851","","","","has coordinates","178662","2020-10-21","18:00:00","" "4077378","13.9503","0.0007","17.4048","0.0009","22.577","0.001","110.337","0.001","91.31","0.001","100.383","0.001","5034.1","0.4","171.2","","","","","","","","","","","8","P -1","-P 1","2","","","","- C87 H80 B2 Cl4 F40 Ir2 P2 Si2 -","- C90.44 H64 B2 Cl2.81 F40 Ir2 P2 Si2 -","- C180.88 H128 B4 Cl5.62 F80 Ir4 P4 Si4 -","2","1","","Klei, Steven R.; Tilley, T. Don; Bergman, Robert G.","An Observable Silene/Silylene Rearrangement in a Cationic Iridium Complex","Organometallics","2001","20","15","3220","","10.1021/om010435a","","","0.7107","MoKα","","","0.0711","","","","0.0718","","","","","","2.16","","","","has coordinates","176467","2020-10-21","18:00:00","" "4077379","25.829","0.002","25.829","0.002","69.505","0.004","90","","90","","120","","40157","5","123","","123","","","","","","","","","7","R -3 c :H","-R 3 2""c","167","","","","- C32.4163 H52.167 B2.1667 F8.6667 N12 O4.75 Pd2 -","- C32.4163 H41.499 B2.16667 F8.66667 N12 O4.583 Pd2 -","- C1166.99 H1493.96 B78 F312 N432 O164.988 Pd72 -","36","1","","Rüther, Thomas; Done, Melanie C.; Cavell, Kingsley J.; Peacock, Evan J.; Skelton, Brian W.; White, Allan H.","Novel Methylpalladium(II) Complexes Bearing Tridentate Imidazole-Based Chelate Ligands: Synthesis, Structural Characterization, and Reactivity","Organometallics","2001","20","26","5522","","10.1021/om0104363","","","0.71073","MoKα","","0.097","0.054","","0.084","","0.072","","","1.825","","","1.869","","","","has coordinates","176432","2020-10-21","18:00:00","" "4077380","14.3524","0.0008","13.572","0.0008","26.31","0.002","90","","91.765","0.001","90","","5122.5","0.6","123","","123","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C33 H43 Cl15 N12 O2 Pd2 -","- C33 H43 Cl15 N12 O2 Pd2 -","- C132 H172 Cl60 N48 O8 Pd8 -","4","0.5","","Rüther, Thomas; Done, Melanie C.; Cavell, Kingsley J.; Peacock, Evan J.; Skelton, Brian W.; White, Allan H.","Novel Methylpalladium(II) Complexes Bearing Tridentate Imidazole-Based Chelate Ligands: Synthesis, Structural Characterization, and Reactivity","Organometallics","2001","20","26","5522","","10.1021/om0104363","","","0.71073","MoKα","","0.095","0.049","","0.058","","0.052","","","1.191","","","1.326","","","","has coordinates","176432","2020-10-21","18:00:00","" "4077381","9.9706","0.0003","11.144","0.0003","17.3043","0.0005","82.8786","0.001","79.7901","0.0013","65.0548","0.001","1713.14","0.09","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C37 H48 N2 Pt Si -","- C37 H48 N2 Pt Si -","- C74 H96 N4 Pt2 Si2 -","2","1","","Hoogervorst, Wilhelmus J.; Elsevier, Cornelis J.; Lutz, Martin; Spek, Anthony L.","Newcis-andtrans-Arylplatinum(II) Acetylide Compounds Containing a Bis(imino)aryl [NCN] Ligand","Organometallics","2001","20","21","4437","","10.1021/om010447w","","","0.71073","MoKα","","0.0228","0.0198","","","0.0505","0.054","","","","","","1.119","","","","has coordinates","178662","2020-10-21","18:00:00","" "4077382","11.5121","0.0002","13.4158","0.0003","16.3824","0.0002","88.2974","0.0011","82.1793","0.0011","84.6873","0.0007","2495.49","0.08","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C54 H56 N4 O4 Pt2 Si2 -","- C54 H56 N4 O4 Pt2 Si2 -","- C108 H112 N8 O8 Pt4 Si4 -","2","1","","Hoogervorst, Wilhelmus J.; Elsevier, Cornelis J.; Lutz, Martin; Spek, Anthony L.","Newcis-andtrans-Arylplatinum(II) Acetylide Compounds Containing a Bis(imino)aryl [NCN] Ligand","Organometallics","2001","20","21","4437","","10.1021/om010447w","","","0.71073","MoKα","","0.0366","0.028","","","0.0663","0.0699","","","","","","1.042","","","","has coordinates","178662","2020-10-21","18:00:00","" "4077383","17.0844","0.0019","20.056","0.002","18.066","0.002","90","","90","","90","","6190.2","1.2","293","2","293","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C60 H46 F24 Li O4 Y -","- C60 H46 F23.982 Li O4 Y -","- C240 H184 F95.928 Li4 O16 Y4 -","4","0.5","","Gendron, Roland A. L.; Berg, David J.; Shao, Pengcheng; Barclay, Tosha","Cyclopentadienyl Yttrium Complexes Bearing a Fluorinated Aryloxide Functionality","Organometallics","2001","20","20","4279","","10.1021/om0104520","","","0.71073","MoKα","","0.091","0.0546","","","0.1596","0.1786","","","","","","0.991","","","","has coordinates,has disorder","178662","2020-10-21","18:00:00","" "4077384","12.4983","0.0012","16.3961","0.0016","23.031","0.002","90","","101.052","0.002","90","","4632.1","0.8","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C45 H49 F12 O4 Y -","- C45 H49 F12 O4 Y -","- C180 H196 F48 O16 Y4 -","4","1","","Gendron, Roland A. L.; Berg, David J.; Shao, Pengcheng; Barclay, Tosha","Cyclopentadienyl Yttrium Complexes Bearing a Fluorinated Aryloxide Functionality","Organometallics","2001","20","20","4279","","10.1021/om0104520","","","0.71073","MoKα","","0.101","0.0476","","","0.1117","0.1235","","","","","","0.879","","","","has coordinates,has disorder","178662","2020-10-21","18:00:00","" "4077385","12.344","0.002","17.362","0.002","17.889","0.003","97.78","0.01","108.15","0.01","109.65","0.01","3305.2","1","173","2","173","2","","","","","","","","9","P -1","-P 1","2","","","","- C60 H48 Au3 Cl2 F15 Fe O P2 Se -","- C60 H47 Au3 Cl2 F15 Fe O P2 Se -","- C120 H94 Au6 Cl4 F30 Fe2 O2 P4 Se2 -","2","1","","Canales, Silvia; Crespo, Olga; Gimeno, M. Concepción; Jones, Peter G.; Laguna, Antonio; Mendizabal, Fernando","Mixed Gold(I)−Gold(III) Complexes with Bridging Selenido Ligands. Theoretical Studies of the Gold(I)−Gold(III) Interactions","Organometallics","2001","20","23","4812","","10.1021/om010474m","","","0.71073","MoKα","","0.0804","0.0477","","","0.1151","0.1332","","","","","","1.038","","","","has coordinates,has disorder","178662","2020-10-21","18:00:00","" "4077386","9.4464","0.0012","12.4953","0.0014","14.279","0.002","102.892","0.01","92.724","0.01","99.3","0.1","1615.2","0.6","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C61 H32 Au4 Cl2 F20 P2 Se2 -","- C61 H32 Au4 Cl2 F20 P2 Se2 -","- C61 H32 Au4 Cl2 F20 P2 Se2 -","1","0.5","","Canales, Silvia; Crespo, Olga; Gimeno, M. Concepción; Jones, Peter G.; Laguna, Antonio; Mendizabal, Fernando","Mixed Gold(I)−Gold(III) Complexes with Bridging Selenido Ligands. Theoretical Studies of the Gold(I)−Gold(III) Interactions","Organometallics","2001","20","23","4812","","10.1021/om010474m","","","0.71073","MoKα","","0.0559","0.0318","","","0.0572","0.0613","","","","","","0.878","","","","has coordinates,has disorder","178662","2020-10-21","18:00:00","" "4077387","11.8022","0.0004","21.4284","0.0008","21.2654","0.0007","90","","99.166","0.001","90","","5309.4","0.3","193","2","193","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C42 H68 N2 Os2 P2 Pt S2 Si4 -","- C42 H68 N2 Os2 P2 Pt S2 Si4 -","- C168 H272 N8 Os8 P8 Pt4 S8 Si16 -","4","1","","Shapley, Patricia A.; Liang, Hong-Chang; Dopke, Nancy C.","Synthesis of (dppe)Pt(μ3-S)2{Ru(N)Me2}2, (dppe)Pt(μ3-S)2{Os(N)(CH2SiMe3)2}2, and Related Heterometallic Complexes","Organometallics","2001","20","22","4700","","10.1021/om010477z","","","0.71073","MoKα","","0.089","0.0373","","","0.0521","0.0597","","","","","","0.834","","","","has coordinates","178662","2020-10-21","18:00:00","" "4077388","35.087","0.002","10.3301","0.0006","16.6929","0.0009","90","","108.31","0.003","90","","5744.1","0.6","200","2","200","2","","","","","","","Synthesis. Suitable crystals were obtained by gas-liquid difussion of pentanes into a 1,2-dichloroethane solution of the compound at room temperature","6","C 1 2/c 1","-C 2yc","15","","","","- C26 H22 Cl N2 O7 Ru3 -","- C26 H22 Cl N2 O7 Ru3 -","- C208 H176 Cl8 N16 O56 Ru24 -","8","1","","Cabeza, Javier A.; del Río, Ignacio; García-Granda, Santiago; Moreno, Marta; Riera, Víctor","Formation of a Diynedienyl Ligand by Coupling of Hexa-2,4-diyne and Hex-2-yn-4-en-4-yl Ligands onto a Triruthenium Cluster Core","Organometallics","2001","20","23","4973","","10.1021/om010478r","","","1.54179","CuKα","","0.0785","0.0568","","","0.1372","0.1631","","","","","","0.989","","","","has coordinates","178662","2020-10-21","18:00:00","" "4077389","11.1552","0.0011","13.9878","0.0016","22.829","0.002","90","","92.403","0.008","90","","3559","0.6","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C35 H36 Cl O5 P W2 -","- C35 H36 Cl O5 P W2 -","- C140 H144 Cl4 O20 P4 W8 -","4","1","","Comte, Virginie; Blacque, Olivier; Kubicki, Marek M.; Moïse, Claude","Regio- and Stereochemical Aspects of the Substitution Reaction between the Molybdenocene and Tungstenocene Dichlorides (η5-C5H4-R)2MCl2(R = CMe3, SiMe3; M = Mo, W) and Metallophosphide Anions [(CO)5M‘PPh2]Li (M‘ = Mo, W)","Organometallics","2001","20","25","5432","","10.1021/om010495g","","","0.71073","MoKα","","0.1495","0.043","","","0.0742","0.0954","","","","","","0.986","","","","has coordinates","178662","2020-10-21","18:00:00","" "4077390","15.6852","0.0017","16.668","0.002","17.305","0.002","85.825","0.01","71.238","0.009","64.854","0.009","3867.1","0.9","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C34.5 H39 Cl O5.5 P Si2 W2 -","- C34.5 H38 Cl O5.5 P Si2 W2 -","- C138 H152 Cl4 O22 P4 Si8 W8 -","4","2","","Comte, Virginie; Blacque, Olivier; Kubicki, Marek M.; Moïse, Claude","Regio- and Stereochemical Aspects of the Substitution Reaction between the Molybdenocene and Tungstenocene Dichlorides (η5-C5H4-R)2MCl2(R = CMe3, SiMe3; M = Mo, W) and Metallophosphide Anions [(CO)5M‘PPh2]Li (M‘ = Mo, W)","Organometallics","2001","20","25","5432","","10.1021/om010495g","","","0.71073","MoKα","","0.0732","0.0335","","","0.0768","0.089","","","","","","1.055","","","","has coordinates","176467","2020-10-21","18:00:00","" "4077391","11.649","0.0014","16.4077","0.0016","20.851","0.003","90","","92.402","0.01","90","","3981.8","0.8","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C32 H36 Cl O4 P Si2 W2 -","- C32 H35 Cl O4 P Si2 W2 -","- C128 H140 Cl4 O16 P4 Si8 W8 -","4","1","","Comte, Virginie; Blacque, Olivier; Kubicki, Marek M.; Moïse, Claude","Regio- and Stereochemical Aspects of the Substitution Reaction between the Molybdenocene and Tungstenocene Dichlorides (η5-C5H4-R)2MCl2(R = CMe3, SiMe3; M = Mo, W) and Metallophosphide Anions [(CO)5M‘PPh2]Li (M‘ = Mo, W)","Organometallics","2001","20","25","5432","","10.1021/om010495g","","","0.71073","MoKα","","0.2061","0.0615","","","0.1637","0.2063","","","","","","1.014","","","","has coordinates","178662","2020-10-21","18:00:00","" "4077392","10.9264","0.0012","11.4605","0.0015","16.5824","0.0016","76.39","0.011","75.813","0.01","63.463","0.009","1782","0.4","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C32 H36 Cl O4 P Si2 W2 -","- C32 H35 Cl O4 P Si2 W2 -","- C64 H70 Cl2 O8 P2 Si4 W4 -","2","1","","Comte, Virginie; Blacque, Olivier; Kubicki, Marek M.; Moïse, Claude","Regio- and Stereochemical Aspects of the Substitution Reaction between the Molybdenocene and Tungstenocene Dichlorides (η5-C5H4-R)2MCl2(R = CMe3, SiMe3; M = Mo, W) and Metallophosphide Anions [(CO)5M‘PPh2]Li (M‘ = Mo, W)","Organometallics","2001","20","25","5432","","10.1021/om010495g","","","0.71073","MoKα","","0.0873","0.0333","","","0.0677","0.0806","","","","","","1.007","","","","has coordinates","178662","2020-10-21","18:00:00","" "4077393","18.344","0.002","18.344","0.002","47.367","0.007","90","","90","","90","","15939","3","203","2","203","2","","","","","","","","7","I 41/a c d :2","-I 4bd 2c","142","","","","- C72 H112 I4 Li2 N4 O8 U2 -","- C72 H112 I4 Li2 N4 O8 U2 -","- C576 H896 I32 Li16 N32 O64 U16 -","8","0.25","","Korobkov, Ilia; Gambarotta, Sandro; Yap, Glenn P. A.; Thompson, Laurence; Hay, P. Jeffrey","Dinuclear Trivalent and Mixed-Valence Uranium [(−CH2−)5]4-calix[4]tetrapyrrole Complexes with Short Intermetallic Distances","Organometallics","2001","20","25","5440","","10.1021/om010510h","","","0.71073","MoKα","","0.0901","0.0414","","","0.0986","0.1301","","","","","","1.001","","","","has coordinates","268283","2021-08-30","06:31:21","" "4077394","12.115","0.001","16.211","0.001","27.406","0.002","90","","99.415","0.002","90","","5309.9","0.7","203","2","203","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C52 H72 Cl4 Li N4 O3 U2 -","- C52 H72 Cl4 Li N4 O3 U2 -","- C208 H288 Cl16 Li4 N16 O12 U8 -","4","1","","Korobkov, Ilia; Gambarotta, Sandro; Yap, Glenn P. A.; Thompson, Laurence; Hay, P. Jeffrey","Dinuclear Trivalent and Mixed-Valence Uranium [(−CH2−)5]4-calix[4]tetrapyrrole Complexes with Short Intermetallic Distances","Organometallics","2001","20","25","5440","","10.1021/om010510h","","","0.71073","MoKα","","0.0751","0.0473","","","0.1147","0.121","","","","","","1.043","","","","has coordinates","178662","2020-10-21","18:00:00","" "4077395","9.085","0.001","9.529","0.001","13.481","0.002","110.555","0.002","95.041","0.002","95.855","0.002","1077.4","0.2","203","2","203","2","","","","","","","","5","P -1","-P 1","2","","","","- C44 H50 Cl4 N4 Ta2 -","- C44 H50 Cl4 N4 Ta2 -","- C44 H50 Cl4 N4 Ta2 -","1","0.5","","Bazinet, Patrick; Yap, Glenn P. A.; Richeson, Darrin S.","Metallaaziridine Complexes of Tantalum Derived from 1,8-Bis(isopropylamino)naphthalene via β-H Activation","Organometallics","2001","20","20","4129","","10.1021/om0105167","","","0.71073","MoKα","","0.0453","0.0355","","","0.065","0.0662","","","","","","1.005","","","","has coordinates,has disorder","178662","2020-10-21","18:00:00","" "4077396","10.093","0.002","16.24","0.002","19.669","0.003","70.143","0.002","81.021","0.003","80.977","0.003","2976.3","0.8","203","2","203","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H37 Cl2 N3 Ta -","- C30 H37 Cl2 N3 Ta -","- C120 H148 Cl8 N12 Ta4 -","4","2","","Bazinet, Patrick; Yap, Glenn P. A.; Richeson, Darrin S.","Metallaaziridine Complexes of Tantalum Derived from 1,8-Bis(isopropylamino)naphthalene via β-H Activation","Organometallics","2001","20","20","4129","","10.1021/om0105167","","","0.71073","MoKα","","0.0885","0.0442","","","0.0807","0.0848","","","","","","1.047","","","","has coordinates,has disorder","178662","2020-10-21","18:00:00","" "4077397","23.328","0.002","10.1925","0.0009","19.3464","0.0017","90","","90","","90","","4600","0.7","203","2","203","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C26 H34 Cl N2 Ta -","- C26 H34 Cl N2 Ta -","- C208 H272 Cl8 N16 Ta8 -","8","1","","Bazinet, Patrick; Yap, Glenn P. A.; Richeson, Darrin S.","Metallaaziridine Complexes of Tantalum Derived from 1,8-Bis(isopropylamino)naphthalene via β-H Activation","Organometallics","2001","20","20","4129","","10.1021/om0105167","","","0.71073","MoKα","","0.1123","0.0498","","","0.109","0.1283","","","","","","1.015","","","","has coordinates","178662","2020-10-21","18:00:00","" "4077398","10.6411","0.0007","11.6236","0.0009","18.6061","0.0013","77.799","0.001","89.435","0.002","71.114","0.001","2124","0.3","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","","","- C44 H58 Al2 N2 O -","- C44 H58 Al2 N2 O -","- C88 H116 Al4 N4 O2 -","2","1","","Yu, Zhengkun; Wittbrodt, Joanne M.; Xia, Aibing; Heeg, Mary Jane; Schlegel, H. Bernhard; Winter, Charles H.","Hydrogen and Dihydrogen Bonding as Important Features of the Reactivity of the Bridging Hydride in Pyrazolate-Bridged Dialuminum Complexes","Organometallics","2001","20","21","4301","","10.1021/om010531b","","","0.71073","MoKα","","0.1283","0.0663","","","0.1519","0.182","","","","","","1.006","","","","has coordinates","178662","2020-10-21","18:00:00","" "4077399","11.922","0.008","12.742","0.008","14.538","0.01","88.423","0.015","89.103","0.016","86.097","0.016","2202","3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C34 H66 B10 Li4 O6 -","- C34 H66 B10 Li4 O6 -","- C68 H132 B20 Li8 O12 -","2","1","","Zi, Guofu; Li, Hung-Wing; Xie, Zuowei","A Novel Carbons-Adjacentarachno-C2B10Carborane Tetraanion Bearing both Hexagonal and Pentagonal Bonding Faces","Organometallics","2001","20","18","3836","","10.1021/om0105324","","","0.71073","MoKα","","0.1477","0.0861","","","0.242","0.2874","","","","","","0.943","","","","has coordinates","178662","2020-10-21","18:00:00","" "4077400","11.429","0.003","12.784","0.003","14.486","0.004","69.766","0.005","79.778","0.006","86.327","0.007","1954.4","0.9","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H60 B10 Li4 O6 -","- C30 H60 B10 Li4 O6 -","- C60 H120 B20 Li8 O12 -","2","1","","Zi, Guofu; Li, Hung-Wing; Xie, Zuowei","A Novel Carbons-Adjacentarachno-C2B10Carborane Tetraanion Bearing both Hexagonal and Pentagonal Bonding Faces","Organometallics","2001","20","18","3836","","10.1021/om0105324","","","0.71073","MoKα","","0.1515","0.0765","","","0.2023","0.2518","","","","","","0.959","","","","has coordinates,has disorder","178663","2020-10-21","18:00:00","" "4077401","11.7671","0.0017","11.7823","0.0016","12.4196","0.0019","103.805","0.003","90.036","0.003","116.463","0.003","1485.6","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H42 B10 Na2 O3 -","- C22 H42 B10 Na2 O3 -","- C44 H84 B20 Na4 O6 -","2","1","","Zi, Guofu; Li, Hung-Wing; Xie, Zuowei","A Novel Carbons-Adjacentarachno-C2B10Carborane Tetraanion Bearing both Hexagonal and Pentagonal Bonding Faces","Organometallics","2001","20","18","3836","","10.1021/om0105324","","","0.71073","MoKα","","0.1386","0.0675","","","0.1677","0.2102","","","","","","0.949","","","","has coordinates","178663","2020-10-21","18:00:00","" "4077402","7.5845","0.0009","16.346","0.002","16.3645","0.0016","90","","90.629","0.008","90","","2028.7","0.4","295","2","295","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C10 H30 B10 Si2 -","- C10 H30 B10 Si2 -","- C40 H120 B40 Si8 -","4","1","","Song, Kyu Ho; Jung, Il; Lee, Shim Sung; Park, Ki-Min; Ishikawa, Mitsuo; Kang, Sang Ook; Ko, Jaejung","Palladium-Catalyzed Double-Silylation Reactions of 3,4-Carboranylene-1,1,2,2-tetraethyl-1,2-disilacyclobut-3-ene","Organometallics","2001","20","26","5537","","10.1021/om010535g","","","0.71073","MoKα","","0.2212","0.0836","","","0.1947","0.2684","","","","","","1.007","","","","has coordinates,has disorder","178663","2020-10-21","18:00:00","" "4077403","9.6633","0.0014","26.421","0.0018","9.979","0.0008","90","","96.281","0.009","90","","2532.5","0.5","295","2","295","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H36 B10 Si2 -","- C18 H36 B10 Si2 -","- C72 H144 B40 Si8 -","4","1","","Song, Kyu Ho; Jung, Il; Lee, Shim Sung; Park, Ki-Min; Ishikawa, Mitsuo; Kang, Sang Ook; Ko, Jaejung","Palladium-Catalyzed Double-Silylation Reactions of 3,4-Carboranylene-1,1,2,2-tetraethyl-1,2-disilacyclobut-3-ene","Organometallics","2001","20","26","5537","","10.1021/om010535g","","","0.71073","MoKα","","0.0906","0.0574","","","0.1419","0.162","","","","","","1.042","","","","has coordinates","178663","2020-10-21","18:00:00","" "4077404","10.6814","0.0009","11.6686","0.0011","12.4992","0.0012","75.755","0.002","74.57","0.002","73.167","0.002","1413","0.2","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H36 B10 O2 Si -","- C24 H36 B10 O2 Si -","- C48 H72 B20 O4 Si2 -","2","1","","Song, Kyu Ho; Jung, Il; Lee, Shim Sung; Park, Ki-Min; Ishikawa, Mitsuo; Kang, Sang Ook; Ko, Jaejung","Palladium-Catalyzed Double-Silylation Reactions of 3,4-Carboranylene-1,1,2,2-tetraethyl-1,2-disilacyclobut-3-ene","Organometallics","2001","20","26","5537","","10.1021/om010535g","","","0.71073","MoKα","","0.1029","0.0542","","","0.1338","0.1571","","","","","","1.022","","","","has coordinates","178663","2020-10-21","18:00:00","" "4077405","11.4318","0.0006","13.0682","0.0006","15.9971","0.0008","85.439","0.001","84.388","0.001","71.046","0.001","2246.55","0.19","293","2","293","2","","","","","","","","8","P -1","-P 1","2","","","","- C49 H48 B F4 N O P3 Rh -","- C49 H42 B F4 N O P3 Rh -","- C98 H84 B2 F8 N2 O2 P6 Rh2 -","2","1","","Sjövall, Sven; Andersson, Carlaxel; Wendt, Ola F.","Cyclometalation Reactions on Rhodium(I). Evidence for a Chelate Effect and Competing C−H and C−O Oxidative Additions","Organometallics","2001","20","23","4919","","10.1021/om010543x","","","0.71073","MoKα","","0.1755","0.055","","","0.107","0.1317","","","","","","0.892","","","","has coordinates","178663","2020-10-21","18:00:00","" "4077406","14.804","0.003","14.977","0.003","20.943","0.004","75.61","0.03","87.31","0.03","71.07","0.03","4251.7","1.8","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C46.5 H42 B Cl F4 P3 Rh -","- C46.5 H42 B Cl F4 P3 Rh -","- C186 H168 B4 Cl4 F16 P12 Rh4 -","4","2","","Sjövall, Sven; Andersson, Carlaxel; Wendt, Ola F.","Cyclometalation Reactions on Rhodium(I). Evidence for a Chelate Effect and Competing C−H and C−O Oxidative Additions","Organometallics","2001","20","23","4919","","10.1021/om010543x","","","0.71073","MoKα","","0.291","0.0622","","","0.1213","0.1674","","","","","","0.763","","","","has coordinates","176467","2020-10-21","18:00:00","" "4077407","12.016","0.001","13.941","0.001","18.923","0.001","81.88","0.01","73.271","0.01","81.826","0.01","2988","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C32.5 H48.5 Cl1.5 Pt1.33 Tl2.67 -","- C32.5 H48.5 Cl1.5 Pt1.33333 Tl2.66667 -","- C97.5 H145.5 Cl4.5 Pt4 Tl8 -","3","1.5","","Berenguer, Jesús R.; Forniés, Juan; Gómez, Julio; Lalinde, Elena; Moreno, M. Teresa","Four Thallium(I) Ions Sandwiched by Two Tetraalkynylplatinate ([Pt(C⋮CR)4]2-) Fragments: Synthesis and Luminescent Behavior of Pt2Tl4Species","Organometallics","2001","20","23","4847","","10.1021/om010554q","","","0.7107","MoKα","","0.0836","0.0715","","","0.2121","0.219","","","","","","1.754","","","","has coordinates","176467","2020-10-21","18:00:00","" "4077408","12.019","0.0002","14.122","0.0003","19.278","0.0004","81.786","0.0012","72.864","0.0014","82.051","0.0007","3078.72","0.11","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C49 H73 Cl3 Pt2 Tl4 -","- C49 H73 Cl3 Pt2 Tl4 -","- C98 H146 Cl6 Pt4 Tl8 -","2","1","","Berenguer, Jesús R.; Forniés, Juan; Gómez, Julio; Lalinde, Elena; Moreno, M. Teresa","Four Thallium(I) Ions Sandwiched by Two Tetraalkynylplatinate ([Pt(C⋮CR)4]2-) Fragments: Synthesis and Luminescent Behavior of Pt2Tl4Species","Organometallics","2001","20","23","4847","","10.1021/om010554q","","","0.7107","MoKα","","0.0881","0.0469","","","0.0806","0.0907","","","","","","1.188","","","","has coordinates,has disorder","178663","2020-10-21","18:00:00","" "4077409","8.973","0.0001","9.866","0.0001","11.337","0.0002","93.553","0.0005","90.072","0.0005","115.338","0.0005","904.91","0.02","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H29 B N4 Si -","- C14 H29 B N4 Si -","- C28 H58 B2 N8 Si2 -","2","1","","Weber, Lothar; Wartig, Henning B.; Stammler, Hans-Georg; Neumann, Beate","Synthesis and Structure of Stable α-Boranyldiazomethanes: 1,3-Di-tert-butyl-2,3-dihydro-1H-1,3,2-diazaborolyl- (trimethylsilyl)diazomethane and 1,3-diethyl-2,3-dihydro-1H-1,3,2-benzodiazaborolyl- (trimethylsilyl)diazomethane","Organometallics","2001","20","24","5248","","10.1021/om010588y","","","0.71073","MoKα","","0.0478","0.0379","","","0.099","0.1052","","","","","","1.051","","","","has coordinates","178663","2020-10-21","18:00:00","" "4077410","11.147","0.0019","18.34","0.003","16.13","0.003","90","","91.362","0.003","90","","3296.6","1","120","2","120","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C36 H52 Ge Sn -","- C36 H52 Ge Sn -","- C144 H208 Ge4 Sn4 -","4","1","","Setaka, Wataru; Sakamoto, Kenkichi; Kira, Mitsuo; Power, Philip P.","Synthesis and Structure of Stable Tri-tert-butylgermyl-Substituted Stannylene and Germylene","Organometallics","2001","20","22","4460","","10.1021/om010591h","","","0.71073","MoKα","","0.0781","0.071","","","0.2012","0.2088","","","","","","1.104","","","","has coordinates","178663","2020-10-21","18:00:00","" "4077411","10.9715","0.001","18.445","0.0016","16.3004","0.0014","90","","90.979","0.002","90","","3298.2","0.5","120","2","120","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C36 H52 Ge2 -","- C36 H52 Ge2 -","- C144 H208 Ge8 -","4","1","","Setaka, Wataru; Sakamoto, Kenkichi; Kira, Mitsuo; Power, Philip P.","Synthesis and Structure of Stable Tri-tert-butylgermyl-Substituted Stannylene and Germylene","Organometallics","2001","20","22","4460","","10.1021/om010591h","","","0.71073","MoKα","","0.0749","0.0467","","","0.1153","0.1249","","","","","","1.015","","","","has coordinates","178663","2020-10-21","18:00:00","" "4077412","11.5028","0.0016","15.748","0.002","21.351","0.003","91.26","0.002","95.308","0.002","94.727","0.003","3836.3","0.9","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","","","- C42 H62 Ge Sn -","- C42 H62 Ge Sn -","- C168 H248 Ge4 Sn4 -","4","2","","Setaka, Wataru; Sakamoto, Kenkichi; Kira, Mitsuo; Power, Philip P.","Synthesis and Structure of Stable Tri-tert-butylgermyl-Substituted Stannylene and Germylene","Organometallics","2001","20","22","4460","","10.1021/om010591h","","","0.71073","MoKα","","0.0841","0.0486","","","0.1124","0.1228","","","","","","0.934","","","","has coordinates","178663","2020-10-21","18:00:00","" "4077413","10.0378","0.0002","10.0378","0.0002","15.4285","0.0005","90","","90","","120","","1346.27","0.06","163","2","163","2","","","","","","","","3","P 63/m","-P 6c","176","","","","- C30 H46 Th -","- C30 H46 Th -","- C60 H92 Th2 -","2","0.166667","","Evans, William J.; Nyce, Gregory W.; Ziller, Joseph W.","Synthesis of the First Tris(pentamethylcyclopentadienyl) Hydride Complex, (C5Me5)3ThH","Organometallics","2001","20","25","5489","","10.1021/om010596e","","","0.71073","MoKα","","0.0146","0.014","","","0.0318","0.0321","","","","","","1.174","","","","has coordinates","178663","2020-10-21","18:00:00","" "4077414","15.46","0.007","10.902","0.005","17.884","0.011","90","","102.6","0.06","90","","2942","3","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C30 H28 Ag4 N4 O10 -","- C30 H28 Ag4 N4 O10 -","- C120 H112 Ag16 N16 O40 -","4","0.5","","Zheng, Shao-Liang; Tong, Ming-Liang; Tan, Song-De; Wang, Yu; Shi, Jian-Xin; Tong, Ye-Xiang; Lee, Hung Kay; Chen, Xiao-Ming","Syntheses, Structures, and Properties of Three Novel Coordination Polymers of Silver(I) Aromatic Carboxylates with Hexamethylenetetramine Exhibiting Unique Metal−π Interaction","Organometallics","2001","20","25","5319","","10.1021/om010601e","","","0.71073","MoKα","","0.0777","0.0675","","","0.1763","0.1853","","","","","","1.075","","","","has coordinates","178663","2020-10-21","18:00:00","" "4077415","14.855","0.011","12.461","0.007","19.86","0.018","90","","95.12","0.08","90","","3662","5","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C36 H43 Ag2 N9 O8 -","- C36 H43 Ag2 N9 O8 -","- C144 H172 Ag8 N36 O32 -","4","1","","Zheng, Shao-Liang; Tong, Ming-Liang; Tan, Song-De; Wang, Yu; Shi, Jian-Xin; Tong, Ye-Xiang; Lee, Hung Kay; Chen, Xiao-Ming","Syntheses, Structures, and Properties of Three Novel Coordination Polymers of Silver(I) Aromatic Carboxylates with Hexamethylenetetramine Exhibiting Unique Metal−π Interaction","Organometallics","2001","20","25","5319","","10.1021/om010601e","","","0.71073","MoKα","","0.1486","0.0662","","","0.147","0.1874","","","","","","0.969","","","","has coordinates","178663","2020-10-21","18:00:00","" "4077416","36.35","0.02","6.473","0.003","12.711","0.007","90","","90.12","0.02","90","","2991","3","293","2","293","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C30 H31 Ag2 N5 O7 -","- C30 H31 Ag2 N5 O7 -","- C120 H124 Ag8 N20 O28 -","4","1","","Zheng, Shao-Liang; Tong, Ming-Liang; Tan, Song-De; Wang, Yu; Shi, Jian-Xin; Tong, Ye-Xiang; Lee, Hung Kay; Chen, Xiao-Ming","Syntheses, Structures, and Properties of Three Novel Coordination Polymers of Silver(I) Aromatic Carboxylates with Hexamethylenetetramine Exhibiting Unique Metal−π Interaction","Organometallics","2001","20","25","5319","","10.1021/om010601e","","","0.71073","MoKα","","0.0366","0.0309","","","0.0746","0.0775","","","","","","1.036","","","","has coordinates","178663","2020-10-21","18:00:00","" "4077417","8.6289","0.0006","13.4215","0.0005","18.5382","0.0009","90","","90","","90","","2147","0.2","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","(S)-4,5-(1,2-ferrocenediyl)-6-methyl-3,3-diphenyl- [1,3]azaphosphinine-2-carbaldehyde","","- C26 H22 Fe N O P -","- C26 H22 Fe N O P -","- C104 H88 Fe4 N4 O4 P4 -","4","1","","Hwang, Geun-Ho; Ryu, Eun-Sook; Park, Dong-Kyu; Shim, Sang Chul; Cho, Chan Sik; Kim, Tae-Jeong; Jeong, Jong Hwa; Cheong, Minserk","A New Class of Planar-Chiral Ferrocenes: Serendipitous Formation of 1,2-Ferrocenediylazaphosphinines","Organometallics","2001","20","26","5784","","10.1021/om010603z","","","0.71073","MoKα","","0.0463","0.0315","","","0.0791","0.0848","","","","","","1.046","","","","has coordinates,has disorder","178663","2020-10-21","18:00:00","" "4077418","22.882","0.011","22.882","0.011","12.761","0.007","90","","90","","90","","6681","6","235","","235","","","","","","","","","5","P -4 21 c","P -4 2n","114","","","","- C30 H44 Cl2 O4 Zr -","- C30 H44 Cl2 O4 Zr -","- C240 H352 Cl16 O32 Zr8 -","8","1","","Damrau, Hans-Robert H.; Royo, Eva; Obert, Stephan; Schaper, Frank; Weeber, Armin; Brintzinger, Hans-Herbert","Racemo-Selective Synthesis ofansa-Zirconocene Derivates from Zirconium Biphenolate Complexes","Organometallics","2001","20","25","5258","","10.1021/om010605j","","","0.71073","MoKα","","0.0943","0.0591","","0.1747","0.1354","","","","1.054","1.105","1.105","","","","","has coordinates","178663","2020-10-21","18:00:00","" "4077419","10.235","0.004","13.165","0.008","13.911","0.006","69.82","0.05","78.45","0.03","87.35","0.03","1723.2","1.6","252","","252","","","","","","","","","4","P -1","-P 1","2","","","","- C42 H44 O2 Zr -","- C42 H44 O2 Zr -","- C84 H88 O4 Zr2 -","2","1","","Damrau, Hans-Robert H.; Royo, Eva; Obert, Stephan; Schaper, Frank; Weeber, Armin; Brintzinger, Hans-Herbert","Racemo-Selective Synthesis ofansa-Zirconocene Derivates from Zirconium Biphenolate Complexes","Organometallics","2001","20","25","5258","","10.1021/om010605j","","","0.71073","MoKα","","0.0531","0.041","","0.1113","0.0967","","","","1.113","1.05","1.05","","","","","has coordinates","178663","2020-10-21","18:00:00","" "4077420","13.504","0.003","15.494","0.003","18.227","0.002","90","","98.034","0.011","90","","3776.2","1.2","243","","243","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C36 H56 Cl2 O4 Zr -","- C36 H56 Cl2 O4 Zr -","- C144 H224 Cl8 O16 Zr4 -","4","1","","Damrau, Hans-Robert H.; Royo, Eva; Obert, Stephan; Schaper, Frank; Weeber, Armin; Brintzinger, Hans-Herbert","Racemo-Selective Synthesis ofansa-Zirconocene Derivates from Zirconium Biphenolate Complexes","Organometallics","2001","20","25","5258","","10.1021/om010605j","","","0.71073","MoKα","","0.0904","0.0536","","0.1366","0.1177","","","","1.009","1.069","1.069","","","","","has coordinates","178663","2020-10-21","18:00:00","" "4077421","12.765","0.004","15.036","0.005","15.733","0.005","95.162","0.017","92.496","0.016","104.998","0.013","2898","1.6","233","","233","","","","","","","","","5","P -1","-P 1","2","","","","- C66 H82 O4 Si Zr -","- C66 H82 O4 Si Zr -","- C132 H164 O8 Si2 Zr2 -","2","1","","Damrau, Hans-Robert H.; Royo, Eva; Obert, Stephan; Schaper, Frank; Weeber, Armin; Brintzinger, Hans-Herbert","Racemo-Selective Synthesis ofansa-Zirconocene Derivates from Zirconium Biphenolate Complexes","Organometallics","2001","20","25","5258","","10.1021/om010605j","","","0.71073","MoKα","","0.1379","0.0786","","","0.1671","0.1964","","","","","","1.029","","","","has coordinates,has disorder","178663","2020-10-21","18:00:00","" "4077422","7.783","0.002","11.904","0.007","15.041","0.004","90","","90","","90","","1393.5","1","220","2","220","2","","","","","","","synthesized by the authors, see text","5","P 21 21 21","P 2ac 2ab","19","","","","- C13 H18 Cl Ni P -","- C13 H18 Cl Ni P -","- C52 H72 Cl4 Ni4 P4 -","4","1","","Fontaine, Frédéric-Georges; Dubois, Marc-André; Zargarian, Davit","Solid State Structures and Phosphine Exchange Reactions of (1-Me-Indenyl)(PR3)Ni−Cl","Organometallics","2001","20","24","5156","","10.1021/om010608w","","","1.54056","CuKα","","0.0205","0.0193","","0.0498","","0.0493","","","1.03","","","1.043","","","","has coordinates","178663","2020-10-21","18:00:00","" "4077423","13.4028","0.0004","39.7337","0.0012","10.3414","0.0003","90","","101.896","0.001","90","","5389","0.3","298","2","298","2","","","","","","","synthesized by the authors, see text","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H42 Cl Ni P -","- C28 H42 Cl Ni P -","- C224 H336 Cl8 Ni8 P8 -","8","2","","Fontaine, Frédéric-Georges; Dubois, Marc-André; Zargarian, Davit","Solid State Structures and Phosphine Exchange Reactions of (1-Me-Indenyl)(PR3)Ni−Cl","Organometallics","2001","20","24","5156","","10.1021/om010608w","","","1.54178","CuKα","","0.0939","0.063","","0.1617","","0.1474","","","1.007","","","1.111","","","","has coordinates","178663","2020-10-21","18:00:00","" "4077424","12.5765","0.0001","12.7653","0.0002","12.7816","0.0001","114.151","0.001","116.522","0.001","94.51","0.001","1587.2","0.04","295","2","295","2","","","","","","","","9","P -1","-P 1","2","","","","- C31.5 H28 B Cl F4 N O3 P Pd -","- C31.5 H28 B Cl F4 N O3 P Pd -","- C63 H56 B2 Cl2 F8 N2 O6 P2 Pd2 -","2","1","","Reddy, K. Rajender; Surekha, K.; Lee, Gene-Hsiang; Peng, Shie-Ming; Liu, Shiuh-Tzung","Single and Multiple Insertion of Alkynes into Pd−Acyl and Pd−Aryl Bonds in Cationic Palladium Complexes with Phosphine−Imine (Pσim N) Ligands","Organometallics","2001","20","26","5557","","10.1021/om0106377","","","0.71073","MoKα","","0.0462","0.0389","","0.1132","0.1081","","","","1.026","1.047","1.047","","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00","" "4077425","18.242","0.004","10.257","0.002","19.028","0.004","90","","112.65","0.03","90","","3285.7","1.4","293","2","293","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C33 H29 B F4 N O5 P Pd -","- C33 H29 B F4 N O5 P Pd -","- C132 H116 B4 F16 N4 O20 P4 Pd4 -","4","1","","Reddy, K. Rajender; Surekha, K.; Lee, Gene-Hsiang; Peng, Shie-Ming; Liu, Shiuh-Tzung","Single and Multiple Insertion of Alkynes into Pd−Acyl and Pd−Aryl Bonds in Cationic Palladium Complexes with Phosphine−Imine (Pσim N) Ligands","Organometallics","2001","20","26","5557","","10.1021/om0106377","","","0.71073","MoKα","","0.0566","0.0372","","0.1296","0.1106","","","","0.892","0.891","0.891","","","","","has coordinates","178663","2020-10-21","18:00:00","" "4077426","12.3198","0.0001","13.8352","0.0002","20.1515","0.0004","90","","94.233","0.001","90","","3425.39","0.09","296","2","296","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C37 H33 B F4 N O P Pd -","- C37 H33 B F4 N O P Pd -","- C148 H132 B4 F16 N4 O4 P4 Pd4 -","4","1","","Reddy, K. Rajender; Surekha, K.; Lee, Gene-Hsiang; Peng, Shie-Ming; Liu, Shiuh-Tzung","Single and Multiple Insertion of Alkynes into Pd−Acyl and Pd−Aryl Bonds in Cationic Palladium Complexes with Phosphine−Imine (Pσim N) Ligands","Organometallics","2001","20","26","5557","","10.1021/om0106377","","","0.71073","MoKα","","0.1317","0.1166","","0.2529","0.2472","","","","1.612","1.653","1.653","","","","","has coordinates","178663","2020-10-21","18:00:00","" "4077427","16.9538","0.0005","17.203","0.0005","17.0361","0.0005","90","","99.977","0.001","90","","4893.5","0.2","150","2","150","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C49 H53 B F4 N O12 P Pd -","- C49 H53 B F4 N O12 P Pd -","- C196 H212 B4 F16 N4 O48 P4 Pd4 -","4","1","","Reddy, K. Rajender; Surekha, K.; Lee, Gene-Hsiang; Peng, Shie-Ming; Liu, Shiuh-Tzung","Single and Multiple Insertion of Alkynes into Pd−Acyl and Pd−Aryl Bonds in Cationic Palladium Complexes with Phosphine−Imine (Pσim N) Ligands","Organometallics","2001","20","26","5557","","10.1021/om0106377","","","0.71073","MoKα","","0.0559","0.0368","","0.1101","0.0981","","","","1.06","1.091","1.091","","","","","has coordinates","178663","2020-10-21","18:00:00","" "4077428","10.2153","0.0003","13.2332","0.0004","17.7982","0.0006","100.863","0.001","100.379","0.001","90.292","0.001","2322.3","0.13","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C59 H45 B F4 N P Pd -","- C59 H45 B F4 N P Pd -","- C118 H90 B2 F8 N2 P2 Pd2 -","2","1","","Reddy, K. Rajender; Surekha, K.; Lee, Gene-Hsiang; Peng, Shie-Ming; Liu, Shiuh-Tzung","Single and Multiple Insertion of Alkynes into Pd−Acyl and Pd−Aryl Bonds in Cationic Palladium Complexes with Phosphine−Imine (Pσim N) Ligands","Organometallics","2001","20","26","5557","","10.1021/om0106377","","","0.71073","MoKα","","0.0386","0.0318","","0.0854","0.0792","","","","1.064","1.053","1.053","","","","","has coordinates","178663","2020-10-21","18:00:00","" "4077429","14.7057","0.0006","14.9592","0.0006","19.3658","0.0007","74.13","","79.315","0.001","81.98","0.001","4008.9","0.3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C64 H60 N4 O14 Os6 Sb2 -","- C64 H60 N4 O14 Os6 Sb2 -","- C128 H120 N8 O28 Os12 Sb4 -","2","1","","Leong, Weng Kee; Chen, Guizhu","Metal−Metal Bond Opening Toward Main Group−Transition Element Rings","Organometallics","2001","20","26","5771","","10.1021/om010649s","","","0.71073","MoKα","","0.1017","0.0654","","","0.1681","0.1943","","","","","","1.053","","","","has coordinates","178663","2020-10-21","18:00:00","" "4077430","12.7872","0.0001","33.878","0.0003","16.7793","0.0002","90","","93.05","0.001","90","","7258.58","0.12","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C60 H51 N3 O15 Os6 Sb2 -","- C60 H51 N3 O15 Os6 Sb2 -","- C240 H204 N12 O60 Os24 Sb8 -","4","1","","Leong, Weng Kee; Chen, Guizhu","Metal−Metal Bond Opening Toward Main Group−Transition Element Rings","Organometallics","2001","20","26","5771","","10.1021/om010649s","","","0.71073","MoKα","","0.1699","0.0771","","","0.1835","0.2162","","","","","","0.93","","","","has coordinates","178663","2020-10-21","18:00:00","" "4077431","23.7603","0.0004","14.6024","0.0003","13.9643","0.0003","90","","90","","90","","4845.02","0.17","183","2","183","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C55 H51 Cl2 P3 Ru Si -","- C55 H50.01 Cl2 P3 Ru Si -","- C220 H200.04 Cl8 P12 Ru4 Si4 -","4","1","","Yardy, Nicholas M.; Lemke, Frederick R.; Brammer, Lee","RuH3(SiCl2Me)(PPh3)3: A Trihydridosilylruthenium Complex with Three Nonclassical Ru−H···Si Interactions","Organometallics","2001","20","26","5670","","10.1021/om010654w","","","0.71073","MoKα","","0.0272","0.0239","","","0.0634","0.0652","","","","","","0.997","","","","has coordinates,has disorder","211332","2020-10-21","18:00:00","" "4077432","13.037","0.003","15.717","0.003","25.071","0.005","90","","90","","90","","5137.1","1.8","200","2","200","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C34 H40 Zr -","- C34 H40 Zr -","- C272 H320 Zr8 -","8","1","","Sun, Hongsui; Burlakov, Vladimir V.; Spannenberg, Anke; Baumann, Wolfgang; Arndt, Perdita; Rosenthal, Uwe","Synthesis and Structural Investigation of Stable Zirconacyclopentanes Which Bear Additional Functional Groups","Organometallics","2001","20","25","5472","","10.1021/om010680u","","","0.71073","MoKα","","0.0881","0.0601","","0.1497","0.1387","","","","0.923","1.123","1.123","","","","","has coordinates","178663","2020-10-21","18:00:00","" "4077433","17.71","0.004","10.058","0.002","19.471","0.004","90","","93.78","0.03","90","","3460.8","1.3","200","2","200","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C45.5 H48 Zr -","- C45.5 H47.5 Zr -","- C182 H190 Zr4 -","4","1","","Sun, Hongsui; Burlakov, Vladimir V.; Spannenberg, Anke; Baumann, Wolfgang; Arndt, Perdita; Rosenthal, Uwe","Synthesis and Structural Investigation of Stable Zirconacyclopentanes Which Bear Additional Functional Groups","Organometallics","2001","20","25","5472","","10.1021/om010680u","","","0.71073","MoKα","","0.0711","0.0474","","0.1249","0.1148","","","","0.947","1.045","1.045","","","","","has coordinates","176467","2020-10-21","18:00:00","" "4077434","10.0093","0.0002","13.5022","0.0002","26.963","0.0003","77.415","0.001","80.705","0.001","70.586","0.001","3338.47","0.09","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C91 H15 O11.5 Os5 P S2 -","- C91 H15 O11.5 Os5 P S2 -","- C182 H30 O23 Os10 P2 S4 -","2","1","","Lee, Kwangyeol; Choi, Zel-Ho; Cho, Youn-Jaung; Song, Hyunjoon; Park, Joon T.","Reversible Interconversion between μ,η2:η2- and μ3,η2:η2:η2-C60on a Carbido Pentaosmium Cluster Framework","Organometallics","2001","20","26","5564","","10.1021/om010695s","","","0.71073","MoKα","","0.1618","0.128","","","0.3107","0.3262","","","","","","1.177","","","","has coordinates","176467","2020-10-21","18:00:00","" "4077435","41.821","0.008","19.375","0.004","18.55","0.004","90","","116.04","0.03","90","","13505","6","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C91 H15 O12 Os5 P -","- C91 H15 O12 Os5 P -","- C728 H120 O96 Os40 P8 -","8","1","","Lee, Kwangyeol; Choi, Zel-Ho; Cho, Youn-Jaung; Song, Hyunjoon; Park, Joon T.","Reversible Interconversion between μ,η2:η2- and μ3,η2:η2:η2-C60on a Carbido Pentaosmium Cluster Framework","Organometallics","2001","20","26","5564","","10.1021/om010695s","","","0.71073","MoKα","","0.087","0.0606","","0.1714","0.1535","","","","1.019","1.097","1.097","","","","","has coordinates","178663","2020-10-21","18:00:00","" "4077436","48.766","0.01","55.356","0.011","10.054","0.002","90","","90","","90","","27141","9","293","2","293","2","","","","","","","","6","F d d 2","F 2 -2d","43","","","","- C98 H22 N O11 Os5 P -","- C98 H22 N O11 Os5 P -","- C1568 H352 N16 O176 Os80 P16 -","16","1","","Lee, Kwangyeol; Choi, Zel-Ho; Cho, Youn-Jaung; Song, Hyunjoon; Park, Joon T.","Reversible Interconversion between μ,η2:η2- and μ3,η2:η2:η2-C60on a Carbido Pentaosmium Cluster Framework","Organometallics","2001","20","26","5564","","10.1021/om010695s","","","0.71073","MoKα","","0.0943","0.0738","","0.1913","0.176","","","","1.176","1.219","1.219","","","","","has coordinates","178663","2020-10-21","18:00:00","" "4077437","9.97","0.003","17.383","0.006","21.365","0.01","101.62","0.06","99.09","0.03","98.49","0.03","3519","3","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C98.5 H22 N O11 Os5 P S -","- C98.5 H22 N O11 Os5 P S -","- C197 H44 N2 O22 Os10 P2 S2 -","2","1","","Lee, Kwangyeol; Choi, Zel-Ho; Cho, Youn-Jaung; Song, Hyunjoon; Park, Joon T.","Reversible Interconversion between μ,η2:η2- and μ3,η2:η2:η2-C60on a Carbido Pentaosmium Cluster Framework","Organometallics","2001","20","26","5564","","10.1021/om010695s","","","0.71073","MoKα","","0.186","0.1696","","","0.4094","0.4238","","","","","","1.171","","","","has coordinates","176467","2020-10-21","18:00:00","" "4077438","18.875","0.003","13.7791","0.0019","28.923","0.004","90","","104.184","0.002","90","","7293","1.8","293","2","233","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C99 H22 N O10 P Ru5 S4 -","- C99 H22 N O10 P Ru5 S4 -","- C396 H88 N4 O40 P4 Ru20 S16 -","4","1","","Lee, Kwangyeol; Choi, Zel-Ho; Cho, Youn-Jaung; Song, Hyunjoon; Park, Joon T.","Reversible Interconversion between μ,η2:η2- and μ3,η2:η2:η2-C60on a Carbido Pentaosmium Cluster Framework","Organometallics","2001","20","26","5564","","10.1021/om010695s","","","0.71073","MoKα","","0.0768","0.0579","","","0.2109","0.235","","","","","","0.984","","","","has coordinates","178663","2020-10-21","18:00:00","" "4077439","26.353","0.003","9.7122","0.0007","43.792","0.005","90","","94.792","0.013","90","","11169","2","180","2","180","2","","","","","","","","8","I 1 2/a 1","-I 2ya","15","","","","- C45.5 H78 F6 N3 O6.5 P2 Ru S2 -","- C45.5 H78 F6 N3 O6.5 P2 Ru S2 -","- C364 H624 F48 N24 O52 P16 Ru8 S16 -","8","1","","Chaumonnot, Alexandra; Donnadieu, Bruno; Sabo-Etienne, Sylviane; Chaudret, Bruno; Buron, Christophe; Bertrand, Guy; Metivier, Pascal","Ruthenium Carbene Complexes Containing a Triazolidene Cationic Ligand","Organometallics","2001","20","26","5614","","10.1021/om010699x","","","0.71073","MoKα","","0.0841","0.0714","","","0.1989","0.2133","","","","","","1.061","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00","" "4077440","12.05","0.0018","12.5932","0.0017","16.346","0.003","81.513","0.017","82.928","0.019","88.205","0.017","2434.4","0.7","160","2","160","2","","","","","","","","7","P -1","-P 1","2","","","","- C34 H57 F9 N6 O12 Ru S3 -","- C34 H57 F9 N6 O12 Ru S3 -","- C68 H114 F18 N12 O24 Ru2 S6 -","2","1","","Chaumonnot, Alexandra; Donnadieu, Bruno; Sabo-Etienne, Sylviane; Chaudret, Bruno; Buron, Christophe; Bertrand, Guy; Metivier, Pascal","Ruthenium Carbene Complexes Containing a Triazolidene Cationic Ligand","Organometallics","2001","20","26","5614","","10.1021/om010699x","","","0.71073","MoKα","","0.0764","0.0563","","","0.1416","0.153","","","","","","1.039","","","","has coordinates,has disorder","178663","2020-10-21","18:00:00","" "4077441","16.88","0.002","16.1793","0.0013","29.049","0.005","90","","90","","90","","7933.5","1.8","171","2","171","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C22 H12 F40 P4 Pt2 -","- C22 H12 F40 P4 Pt2 -","- C176 H96 F320 P32 Pt16 -","8","1","","White, Shannon; Kalberer, Eric W.; Bennett, Byron L.; Roddick, Dean M.","Synthesis, Structure, and Characterization of a Bridging Ethylidene (Perfluoroalkyl)phosphine Platinum Complex","Organometallics","2001","20","26","5731","","10.1021/om0107237","","","0.71073","MoKα","","0.1412","0.0767","","0.1582","0.1374","","","","1.038","1.21","1.21","","","","","has coordinates,has disorder","178663","2020-10-21","18:00:00","" "4077442","18.8904","0.0017","18.4966","0.0017","23.594","0.002","90","","90","","90","","8243.9","1.3","158","2","158","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C45 H68 Sm2 -","- C45 H68 Sm2 -","- C360 H544 Sm16 -","8","1","","Evans, William J.; Giarikos, Dimitrios G.; Robledo, Christopher B.; Leong, Voon S.; Ziller, Joseph W.","Reactivity of the Substituted Butadienes, Isoprene and Myrcene, with Decamethylsamarocene","Organometallics","2001","20","26","5648","","10.1021/om010729w","","","0.71073","MoKα","","0.0866","0.0467","","","0.1019","0.1189","","","","","","1.025","","","","has coordinates","178663","2020-10-21","18:00:00","" "4077443","37.985","0.003","10.0673","0.0007","24.5941","0.0017","90","","99.634","0.001","90","","9272.3","1.2","163","2","163","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C50 H76 Sm2 -","- C50 H76 Sm2 -","- C400 H608 Sm16 -","8","1","","Evans, William J.; Giarikos, Dimitrios G.; Robledo, Christopher B.; Leong, Voon S.; Ziller, Joseph W.","Reactivity of the Substituted Butadienes, Isoprene and Myrcene, with Decamethylsamarocene","Organometallics","2001","20","26","5648","","10.1021/om010729w","","","0.71073","MoKα","","0.0624","0.0336","","","0.0681","0.0806","","","","","","1.028","","","","has coordinates","178663","2020-10-21","18:00:00","" "4077444","23.3208","0.0007","19.8008","0.0006","42.9886","0.0013","90","","90","","90","","19850.9","1","163","2","163","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C56.5 H76 Sm2 -","- C56.5 H76 Sm2 -","- C904 H1216 Sm32 -","16","2","","Evans, William J.; Giarikos, Dimitrios G.; Robledo, Christopher B.; Leong, Voon S.; Ziller, Joseph W.","Reactivity of the Substituted Butadienes, Isoprene and Myrcene, with Decamethylsamarocene","Organometallics","2001","20","26","5648","","10.1021/om010729w","","","0.71073","MoKα","","0.0649","0.0384","","","0.0755","0.0883","","","","","","1.06","","","","has coordinates","176467","2020-10-21","18:00:00","" "4077445","19.5356","0.001","13.2679","0.001","51.3778","0.001","90","","98.857","0.01","90","","13158.1","1.3","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","triniobocene cation","","","- C74 H45 B2 F25 Nb3 -","- C74 H44.99 B2 F25 Nb3 -","- C592 H359.92 B16 F200 Nb24 -","8","1","","Liu, Shengming; Liu, Fu-Chen; Renkes, Gordon; Shore, Sheldon G.","Formation of Triniobocene Cationic and Neutral Mononiobocene Species as a Function of Solvent in the Reaction of Cp2Nb{(μ-H)2BR2} (R2= C4H8, C5H10, C8H14) with B(C6F5)3","Organometallics","2001","20","26","5717","","10.1021/om0107744","","","0.71073","MoKα","","0.1114","0.0582","","","0.1205","0.1402","","","","","","1.048","","","","has coordinates","178663","2020-10-21","18:00:00","" "4077446","15.5363","0.001","16.0828","0.001","19.6394","0.001","90","","90","","90","","4907.2","0.5","203","2","203","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C28 H10 B F15 Nb -","- C28 H10 B F15 Nb -","- C224 H80 B8 F120 Nb8 -","8","1","","Liu, Shengming; Liu, Fu-Chen; Renkes, Gordon; Shore, Sheldon G.","Formation of Triniobocene Cationic and Neutral Mononiobocene Species as a Function of Solvent in the Reaction of Cp2Nb{(μ-H)2BR2} (R2= C4H8, C5H10, C8H14) with B(C6F5)3","Organometallics","2001","20","26","5717","","10.1021/om0107744","","","0.71073","MoKα","","0.0379","0.0271","","","0.0641","0.0683","","","","","","1.032","","","","has coordinates","178663","2020-10-21","18:00:00","" "4077447","18.58","0.003","20.311","0.003","16.596","0.003","90","","110.441","0.003","90","","5868.6","1.7","293","2","293","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C24 H45 F6 N2 P Ru Si -","- C24 H45 F6 N2 P Ru Si -","- C192 H360 F48 N16 P8 Ru8 Si8 -","8","1","","Hayashida, Taizo; Nagashima, Hideo","Ruthenium Amidinato−Carbene Complexes Containing a Ru−Si Bond: Formation and Reversible α-Silyl Group Migration from the Metal to the Carbene Ligand","Organometallics","2001","20","24","4996","","10.1021/om010775w","","","0.71069","MoKα","","0.0869","0.0601","","","0.1581","0.1782","","","","","","1.193","","","","has coordinates","178663","2020-10-21","18:00:00","" "4077448","22.25","0.004","9.234","0.003","15.137","0.003","90","","90","","90","","3110","1.3","293","2","293","2","","","","","","","","8","P n a 21","P 2c -2n","33","","","","- C25 H45 F6 N2 O P Ru Si -","- C25 H45 F6 N2 O P Ru Si -","- C100 H180 F24 N8 O4 P4 Ru4 Si4 -","4","1","","Hayashida, Taizo; Nagashima, Hideo","Ruthenium Amidinato−Carbene Complexes Containing a Ru−Si Bond: Formation and Reversible α-Silyl Group Migration from the Metal to the Carbene Ligand","Organometallics","2001","20","24","4996","","10.1021/om010775w","","","0.71069","MoKα","","0.1777","0.0498","","","0.1263","0.173","","","","","","0.898","","","","has coordinates","178663","2020-10-21","18:00:00","" "4077449","15.8974","0.0007","17.3476","0.0008","20.6778","0.0009","90","","90","","90","","5702.6","0.4","193","2","193","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","(dtbpm)RhCl(2,2'-biphenylene)","","","- C29 H46 Cl P2 Rh -","- C29 H46 Cl P2 Rh -","- C232 H368 Cl8 P16 Rh8 -","8","1","","Iverson, Carl N.; Jones, William D.","Rhodium-Catalyzed Activation and Functionalization of the C−C Bond of Biphenylene","Organometallics","2001","20","26","5745","","10.1021/om0107946","","","0.71073","MoKα","","0.0397","0.0324","","","0.0908","0.0997","","","","","","0.617","","","","has coordinates","178663","2020-10-21","18:00:00","" "4077450","9.8486","0.0005","22.8268","0.0012","18.3084","0.0009","90","","96.227","0.001","90","","4091.7","0.4","193","2","193","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","(PPh3)2RhCl(2,2'-biphenylene)","","","- C49 H40 Cl3 P2 Rh -","- C49 H40 Cl3 P2 Rh -","- C196 H160 Cl12 P8 Rh4 -","4","1","","Iverson, Carl N.; Jones, William D.","Rhodium-Catalyzed Activation and Functionalization of the C−C Bond of Biphenylene","Organometallics","2001","20","26","5745","","10.1021/om0107946","","","0.71073","MoKα","","0.0382","0.0296","","","0.0786","0.0857","","","","","","0.692","","","","has coordinates","178663","2020-10-21","18:00:00","" "4077451","11.4336","0.0008","16.182","0.0012","18.0028","0.0013","90","","101.597","0.001","90","","3262.9","0.4","158","2","158","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C61 H91 N5 Nd2 O12 -","- C62.18 H86 N4 Nd2 O12 -","- C124.36 H172 N8 Nd4 O24 -","2","0.5","","Evans, William J.; Giarikos, Dimitrios G.; Ziller, Joseph W.","Lanthanide Carboxylate Precursors for Diene Polymerization Catalysis: Syntheses, Structures, and Reactivity with Et2AlCl","Organometallics","2001","20","26","5751","","10.1021/om010887n","","","0.71073","MoKα","","0.0541","0.0344","","","0.0704","0.0792","","","","","","1.026","","","","has coordinates,has disorder","178663","2020-10-21","18:00:00","" "4077452","13.5796","0.0009","14.2645","0.001","19.5501","0.0013","72.906","0.001","85.726","0.001","62.542","0.001","3203.6","0.4","158","2","158","2","","","","","","","","5","P -1","-P 1","2","","","","- C61 H91 La2 N5 O12 -","- C61 H91 La2 N5 O12 -","- C122 H182 La4 N10 O24 -","2","1","","Evans, William J.; Giarikos, Dimitrios G.; Ziller, Joseph W.","Lanthanide Carboxylate Precursors for Diene Polymerization Catalysis: Syntheses, Structures, and Reactivity with Et2AlCl","Organometallics","2001","20","26","5751","","10.1021/om010887n","","","0.71073","MoKα","","0.0513","0.0356","","","0.08","0.0888","","","","","","1.031","","","","has coordinates,has disorder","178663","2020-10-21","18:00:00","" "4077453","15.8618","0.0007","18.118","0.0008","22.1074","0.001","100.144","0.001","91.918","0.001","114.985","0.001","5627.2","0.4","163","2","163","2","","","","","","","","4","P -1","-P 1","2","","","","- C120 H138 Nd2 O24 -","- C120 H138 Nd2 O24 -","- C240 H276 Nd4 O48 -","2","1","","Evans, William J.; Giarikos, Dimitrios G.; Ziller, Joseph W.","Lanthanide Carboxylate Precursors for Diene Polymerization Catalysis: Syntheses, Structures, and Reactivity with Et2AlCl","Organometallics","2001","20","26","5751","","10.1021/om010887n","","","0.71073","MoKα","","0.0447","0.0323","","","0.0749","0.0822","","","","","","1.049","","","","has coordinates,has disorder","178663","2020-10-21","18:00:00","" "4077454","11.9859","0.0004","17.0473","0.0006","12.6734","0.0005","90","","118.105","0.001","90","","2284.18","0.14","188","2","188","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C40 H40 Cl6 La2 N8 -","- C40 H40 Cl6 La2 N8 -","- C80 H80 Cl12 La4 N16 -","2","0.5","","Evans, William J.; Giarikos, Dimitrios G.; Ziller, Joseph W.","Lanthanide Carboxylate Precursors for Diene Polymerization Catalysis: Syntheses, Structures, and Reactivity with Et2AlCl","Organometallics","2001","20","26","5751","","10.1021/om010887n","","","0.71073","MoKα","","0.0222","0.0188","","","0.0449","0.0467","","","","","","1.057","","","","has coordinates","178663","2020-10-21","18:00:00","" "4084080","15.703","0.001","12.742","0.001","10.787","0.001","90","","97.974","0.004","90","","2137.5","0.3","150","","150","","","","","","","","?","5","C 1 2 1","C 2y","5","","ruthenocenylmethylium tetra(3,5-bis(trifluoromethyl)phenyl)borate","","- C43 H24 B F24 Ru -","- C43 H24 B F24 Ru -","- C86 H48 B2 F48 Ru2 -","2","0.5","","Barlow, Stephen; Cowley, Andrew; Green, Jennifer C.; Brunker, Tim J.; Hascall, Tony","The Ruthenocenylmethylium Cation: Isolation and Structures ofη5-Cyclopentadienyl-η6-fulvene-ruthenium(II) Salts","Organometallics","2001","20","25","5351","","10.1021/om010667+","","","0.71069","MoKα","","","0.0328","","","","0.0398","","","","","","1.0545","","","","has coordinates","176467","2020-10-21","18:00:00","" "4084081","16.2555","0.0003","13.2704","0.0003","18.7369","0.0005","90","","104.543","0.002","90","","3912.36","0.16","150","","150","","","","","","","","?","6","P 1 21/c 1","-P 2ybc","14","","ruthenocenylmethylium trifluoromethanesulfonate","","- C12 H11 F3 O3 Ru S -","- C12 H10.6667 F3 O3 Ru S -","- C144 H128 F36 O36 Ru12 S12 -","12","3","","Barlow, Stephen; Cowley, Andrew; Green, Jennifer C.; Brunker, Tim J.; Hascall, Tony","The Ruthenocenylmethylium Cation: Isolation and Structures ofη5-Cyclopentadienyl-η6-fulvene-ruthenium(II) Salts","Organometallics","2001","20","25","5351","","10.1021/om010667+","","","0.71073","MoKα","","","0.0371","","","","0.0494","","","","","","1.0248","","","","has coordinates","176467","2020-10-21","18:00:00","" "4084082","33.0591","0.0007","12.5182","0.0003","13.7757","0.0003","90","","101.591","0.001","90","","5584.7","0.2","150","2","150","2","","","","","","","synthesis as described","7","C 1 2/c 1","-C 2yc","15","","(ruthenocenylmethyl)triphenylphosphonium tetrafluoroborate dichloromethane solvate","","- C29.5 H27 B Cl F4 P Ru -","- C29.5 H27 B Cl F4 P Ru -","- C236 H216 B8 Cl8 F32 P8 Ru8 -","8","1","","Barlow, Stephen; Cowley, Andrew; Green, Jennifer C.; Brunker, Tim J.; Hascall, Tony","The Ruthenocenylmethylium Cation: Isolation and Structures ofη5-Cyclopentadienyl-η6-fulvene-ruthenium(II) Salts","Organometallics","2001","20","25","5351","","10.1021/om010667+","","x-ray","0.71073","MoKα","","0.1121","0.0632","","","0.1607","0.1854","","","","","","1.054","","","","has coordinates","176467","2020-10-21","18:00:00","" "4084083","11.7481","0.0019","19.09","0.003","12.86","0.002","90","","110.201","0.003","90","","2706.7","0.7","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H35 Al Cl2 O3 -","- C26 H35 Al Cl2 O3 -","- C104 H140 Al4 Cl8 O12 -","4","1","","Chen, Huei-Ling; Ko, Bao-Tsan; Huang, Bor-Hunn; Lin, Chu-Chieh","Reactions of 2,2‘-Methylenebis(4-chloro-6-isopropyl-3-methylphenol) with Trimethylaluminum: Highly Efficient Catalysts for the Ring-Opening Polymerization of Lactones","Organometallics","2001","20","24","5076","","10.1021/om010425+","","","0.71073","MoKα","","0.1203","0.063","","","0.1639","0.1957","","","","","","1.009","","","","has coordinates","178729","2020-10-21","18:00:00","" "4084084","10.9992","0.0007","20.5094","0.0013","11.2559","0.0007","90","","107.62","0.001","90","","2420.1","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H31 Al Cl2 O3 -","- C24 H31 Al Cl2 O3 -","- C96 H124 Al4 Cl8 O12 -","4","1","","Chen, Huei-Ling; Ko, Bao-Tsan; Huang, Bor-Hunn; Lin, Chu-Chieh","Reactions of 2,2‘-Methylenebis(4-chloro-6-isopropyl-3-methylphenol) with Trimethylaluminum: Highly Efficient Catalysts for the Ring-Opening Polymerization of Lactones","Organometallics","2001","20","24","5076","","10.1021/om010425+","","","0.71073","MoKα","","0.0788","0.045","","","0.1255","0.1468","","","","","","0.884","","","","has coordinates","178729","2020-10-21","18:00:00","" "4084085","9.5772","0.0006","20.2776","0.0013","16.2491","0.001","90","","94.693","0.001","90","","3145","0.3","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C29 H44 Al2 Cl2 O3 -","- C29 H44 Al2 Cl2 O3 -","- C116 H176 Al8 Cl8 O12 -","4","1","","Chen, Huei-Ling; Ko, Bao-Tsan; Huang, Bor-Hunn; Lin, Chu-Chieh","Reactions of 2,2‘-Methylenebis(4-chloro-6-isopropyl-3-methylphenol) with Trimethylaluminum: Highly Efficient Catalysts for the Ring-Opening Polymerization of Lactones","Organometallics","2001","20","24","5076","","10.1021/om010425+","","","0.71073","MoKα","","0.0774","0.0472","","","0.1393","0.159","","","","","","0.962","","","","has coordinates","178729","2020-10-21","18:00:00","" "4084086","12.9152","0.0009","13.7773","0.0011","19.8008","0.0015","85.655","0.002","78.988","0.002","74.633","0.002","3333.6","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C29 H44 Al2 Cl2 O4 -","- C29 H44 Al2 Cl2 O4 -","- C116 H176 Al8 Cl8 O16 -","4","2","","Chen, Huei-Ling; Ko, Bao-Tsan; Huang, Bor-Hunn; Lin, Chu-Chieh","Reactions of 2,2‘-Methylenebis(4-chloro-6-isopropyl-3-methylphenol) with Trimethylaluminum: Highly Efficient Catalysts for the Ring-Opening Polymerization of Lactones","Organometallics","2001","20","24","5076","","10.1021/om010425+","","","0.71073","MoKα","","0.1168","0.0636","","","0.1762","0.2055","","","","","","1.082","","","","has coordinates","178729","2020-10-21","18:00:00","" "4084087","25.1228","0.0008","25.1228","0.0008","25.1228","0.0008","90","","90","","90","","15856.4","0.9","293","2","293","2","","","","","","","","5","I 2 3","I 2 2 3","197","","","","- C75 H99 Al3 Cl6 O12 -","- C75 H99 Al3 Cl6 O12 -","- C600 H792 Al24 Cl48 O96 -","8","0.333333","","Chen, Huei-Ling; Ko, Bao-Tsan; Huang, Bor-Hunn; Lin, Chu-Chieh","Reactions of 2,2‘-Methylenebis(4-chloro-6-isopropyl-3-methylphenol) with Trimethylaluminum: Highly Efficient Catalysts for the Ring-Opening Polymerization of Lactones","Organometallics","2001","20","24","5076","","10.1021/om010425+","","","0.71073","MoKα","","0.0535","0.0442","","","0.1266","0.135","","","","","","1.049","","","","has coordinates","270822","2021-11-23","08:35:15","" "4084088","14.1181","0.0002","13.603","0.0002","17.5427","0.0002","90","","90","","90","","3369.05","0.08","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C18 H18 Cl2 Cr N -","- C18 H18 Cl2 Cr N -","- C144 H144 Cl16 Cr8 N8 -","8","1","","Enders, Markus; Fernández, Pablo; Ludwig, Gunter; Pritzkow, Hans","New Chromium(III) Complexes as Highly Active Catalysts for Olefin Polymerization","Organometallics","2001","20","24","5005","","10.1021/om010753+","","","0.71073","MoKα","","0.054","0.0305","","","0.0749","0.0823","","","","","","0.956","","","","has coordinates","178729","2020-10-21","18:00:00","" "4084089","7.974","0.005","25.353","0.014","8.563","0.004","90","","98.43","0.04","90","","1712.4","1.6","203","2","203","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C17 H22 Cl2 Cr N -","- C17 H22 Cl2 Cr N -","- C68 H88 Cl8 Cr4 N4 -","4","1","","Enders, Markus; Fernández, Pablo; Ludwig, Gunter; Pritzkow, Hans","New Chromium(III) Complexes as Highly Active Catalysts for Olefin Polymerization","Organometallics","2001","20","24","5005","","10.1021/om010753+","","","0.7107","MoKα","","0.0848","0.0441","","","0.08","0.0908","","","","","","1.012","","","","has coordinates","178729","2020-10-21","18:00:00","" "4084090","9.3805","0.0015","12.897","0.002","13.438","0.002","90","","90","","90","","1625.7","0.4","294","2","294","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C8 H19 B9 Co N S2 -","- C8 H19 B9 Co N S2 -","- C32 H76 B36 Co4 N4 S8 -","4","0.5","","Llop, Jordi; Viñas, Clara; Teixidor, Francesc; Victori, Lluís; Kivekäs, Raikko; Sillanpää, Reijo","C−C Plasticity in Boron Chemistry: Modulation of the Cc···CcDistance in Mixed Pyrrolyl/Dicarbollide Complexes†","Organometallics","2001","20","19","4024","","10.1021/om010511+","","","0.71069","MoKα","","0.054","0.0344","","","0.0758","0.0823","","","","","","1.035","","","","has coordinates","178729","2020-10-21","18:00:00","" "4084091","11.78","0.002","8.835","0.002","21.581","0.002","90","","96.4","0.011","90","","2232.1","0.7","294","2","294","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C18 H23 B9 Co N S2 -","- C18 H23 B9 Co N S2 -","- C72 H92 B36 Co4 N4 S8 -","4","1","","Llop, Jordi; Viñas, Clara; Teixidor, Francesc; Victori, Lluís; Kivekäs, Raikko; Sillanpää, Reijo","C−C Plasticity in Boron Chemistry: Modulation of the Cc···CcDistance in Mixed Pyrrolyl/Dicarbollide Complexes†","Organometallics","2001","20","19","4024","","10.1021/om010511+","","","0.71069","MoKα","","0.0804","0.0412","","","0.0908","0.1043","","","","","","1.028","","","","has coordinates","178729","2020-10-21","18:00:00","" "4084092","10.889","0.005","11.444","0.003","13.026","0.007","90","","90","","90","","1623.2","1.2","294","2","294","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C12 H19 B9 Co N -","- C12 H19 B9 Co N -","- C48 H76 B36 Co4 N4 -","4","1","","Llop, Jordi; Viñas, Clara; Teixidor, Francesc; Victori, Lluís; Kivekäs, Raikko; Sillanpää, Reijo","C−C Plasticity in Boron Chemistry: Modulation of the Cc···CcDistance in Mixed Pyrrolyl/Dicarbollide Complexes†","Organometallics","2001","20","19","4024","","10.1021/om010511+","","","0.71069","MoKα","","0.0742","0.0495","","","0.1232","0.1337","","","","","","1.142","","","","has coordinates","178729","2020-10-21","18:00:00","" "4084093","11.587","0.003","11.587","0.003","15.151","0.003","90","","90","","90","","2034.2","0.8","293","2","293","2","","","","","","","","6","I -4","I -4","82","","","","- C40 H60 B Cr4 F4 O4 -","- C40 H60 B Cr4 F4 O4 -","- C80 H120 B2 Cr8 F8 O8 -","2","0.25","","Allen, Daryl P.; Bottomley, Frank; Day, Robert W.; Decken, Andreas; Sanchez, Victor; Summers, David A.; Thompson, Robert C.","Organometallic Oxides: Oxidation of the Cubane [(η-C5R5)Cr(μ3-O)]4and the Structures and Magnetic Properties of the Salts {[(η-C5R5)Cr(μ3-O)]4}{tcnq} and {[(η-C5R5)Cr(μ3-O)]4}{BF4}","Organometallics","2001","20","9","1840","","10.1021/om001067y","","","0.71073","MoKα","","0.1977","0.0447","","0.1446","0.1021","","","","1.033","1.195","1.195","","","","","has coordinates","178729","2020-10-21","18:00:00","" "4084094","11.179","0.003","12.252","0.002","20.061","0.006","100.94","0.02","90.9","0.02","104.88","0.02","2601.2","1.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C54 H68 Cr4 N4 O4.5 -","- C54 H68 Cr4 N4 O4.5 -","- C108 H136 Cr8 N8 O9 -","2","1","","Allen, Daryl P.; Bottomley, Frank; Day, Robert W.; Decken, Andreas; Sanchez, Victor; Summers, David A.; Thompson, Robert C.","Organometallic Oxides: Oxidation of the Cubane [(η-C5R5)Cr(μ3-O)]4and the Structures and Magnetic Properties of the Salts {[(η-C5R5)Cr(μ3-O)]4}{tcnq} and {[(η-C5R5)Cr(μ3-O)]4}{BF4}","Organometallics","2001","20","9","1840","","10.1021/om001067y","","","1.54178","CuKα","","0.2437","0.0553","","0.227","0.1379","","","","1.028","1.16","1.16","","","","","has coordinates","176467","2020-10-21","18:00:00","" "4086064","16.0153","","9.2434","","26.9274","","90","","96.9","","90","","3957.35","","","","","","","","","","","","","7","P 1 21/a 1","-P 2yab","14","","(W (C O) (H B H3) (N O) (P (C H3)3)3)","","- C10 H31 B N O2 P3 W -","- C10 H31 B N O2 P3 W -","- C80 H248 B8 N8 O16 P24 W8 -","8","2","","Hoeck, J.; Artus, G.R.J.; Jacobsen, H.; Schmalle, H.W.; Baeth, F.; Fox, T.; Amor, J.I.; Berke, H.","Synthesis and insertion behaviour of carbonylhydridonitrosyltris(trimethylphosphine)tungsten(0)","Organometallics","2001","20","","1533","1544","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "4086065","9.9941","","14.4464","","13.2433","","90","","101.053","","90","","1876.58","","","","","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","(W (C O) (H) (N O) (P (C H3)3)3)","","- C10 H28 N O2 P3 W -","- C10 H28 N O2 P3 W -","- C40 H112 N4 O8 P12 W4 -","4","1","","Hoeck, J.; Jacobsen, H.; Schmalle, H.W.; Baeth, F.; Artus, G.R.J.; Berke, H.; Amor, J.I.; Fox, T.","Synthesis and insertion behaviour of carbonylhydridonitrosyltris(trimethylphosphine)tungsten(0)","Organometallics","2001","20","","1533","1544","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "4086066","8.919","","15.15","","29.221","","90","","90","","90","","3948.43","","","","","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","W (C O) (N O) (P (C H3)3)3 (H C O2)","","- C11 H28 N O4 P3 W -","- C11 H28 N O4 P3 W -","- C88 H224 N8 O32 P24 W8 -","8","1","","Hoeck, J.; Amor, J.I.; Jacobsen, H.; Schmalle, H.W.; Artus, G.R.J.; Fox, T.; Baeth, F.; Berke, H.","Synthesis and insertion behaviour of carbonylhydridonitrosyltris(trimethylphosphine)tungsten(0)","Organometallics","2001","20","","1533","1544","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "4086067","13.681","","12.6325","","29.4236","","90","","90","","90","","5085.14","","","","","","","","","","","","","7","P b c a","-P 2ac 2ab","61","","W (C O) (N O) (P (C H3)3)3 ((O C H) Fe (C O)4)","","- C15 H28 Fe N O7 P3 W -","- C15 H28 Fe N O7 P3 W -","- C120 H224 Fe8 N8 O56 P24 W8 -","8","1","","Hoeck, J.; Jacobsen, H.; Fox, T.; Schmalle, H.W.; Artus, G.R.J.; Berke, H.; Baeth, F.; Amor, J.I.","Synthesis and insertion behaviour of carbonylhydridonitrosyltris(trimethylphosphine)tungsten(0)","Organometallics","2001","20","","1533","1544","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "4089305","15.259","0.004","17.754","0.004","15.937","0.003","90","","104.149","0.017","90","","4186.5","1.7","293","2","293","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C32 H28 F12 N8 O4 P2 Ru2 -","- C32 H28 F12 N8 O4 P2 Ru2 -","- C128 H112 F48 N32 O16 P8 Ru8 -","4","0.5","","Chardon-Noblat, Sylvie; Cripps, Garth H.; Deronzier, Alain; Field, John S.; Gouws, Shawn; Haines, Raymond J.; Southway, Florence","Synthesis, Structure, and Physicochemical Characterizations of a New Cationic Ruthenium(I)−Ruthenium(I) Tetracarbonyl Bipyridine Dimer Precursor for the Electrochemical Synthesis of an Organometallic Ruthenium(0) Polymer","Organometallics","2001","20","8","1668","","10.1021/om0010518","","","0.71069","MoKα","","0.0967","0.0587","","","0.143","0.1831","","","","","","1.036","","","","has coordinates","243606","2020-10-21","18:00:00","" "4089306","13.6055","0.0016","16.6303","0.0012","23.331","0.002","90","","102.653","0.002","90","","5150.8","0.8","213","2","213","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","compound 3iPr2c","","","- C42.5 H62.25 B Cl3.25 N8 O2 Pd -","- C42.74 H57 B Cl3.48 N8 O2 Pd -","- C170.96 H228 B4 Cl13.92 N32 O8 Pd4 -","4","1","","Kujime, Masato; Hikichi, Shiro; Akita, Munetaka","N/O- and C-Bound (Enolato)palladium Complexes with Hydrotris(pyrazolyl)borato Ligands (TpR: R = iPr2, Me2) Obtained via Dehydrative Condensation between the Hydroxo Complexes TpRPd(Py)OH and Active Methylene Compounds: Factors Determining the Isomer Distribution and Dimerization of Cyano Compounds","Organometallics","2001","20","19","4049","","10.1021/om010448o","","","0.71069","MoKα","","0.117","0.097","","","0.2712","0.285","","","","","","1.465","","","","has coordinates","244973","2020-10-21","18:00:00","" "4089307","13.0558","0.0006","14.3339","0.0008","14.8052","0.0008","90","","95.885","0.002","90","","2756.1","0.2","213","2","213","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","compound 3Me2b","","","- C24 H31 B N8 O2 Pd -","- C24 H31 B N8 O2 Pd -","- C96 H124 B4 N32 O8 Pd4 -","4","1","","Kujime, Masato; Hikichi, Shiro; Akita, Munetaka","N/O- and C-Bound (Enolato)palladium Complexes with Hydrotris(pyrazolyl)borato Ligands (TpR: R = iPr2, Me2) Obtained via Dehydrative Condensation between the Hydroxo Complexes TpRPd(Py)OH and Active Methylene Compounds: Factors Determining the Isomer Distribution and Dimerization of Cyano Compounds","Organometallics","2001","20","19","4049","","10.1021/om010448o","","","0.71069","MoKα","","0.0581","0.0563","","","0.1456","0.1475","","","","","","1.224","","","","has coordinates","244973","2020-10-21","18:00:00","" "4089308","17.855","0.002","19.375","0.004","17.092","0.004","90","","90","","90","","5913","2","213","2","213","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","compound 3Me2d","","","- C28 H38 B N7 O2 Pd -","- C28 H38 B N7 O2 Pd -","- C224 H304 B8 N56 O16 Pd8 -","8","1","","Kujime, Masato; Hikichi, Shiro; Akita, Munetaka","N/O- and C-Bound (Enolato)palladium Complexes with Hydrotris(pyrazolyl)borato Ligands (TpR: R = iPr2, Me2) Obtained via Dehydrative Condensation between the Hydroxo Complexes TpRPd(Py)OH and Active Methylene Compounds: Factors Determining the Isomer Distribution and Dimerization of Cyano Compounds","Organometallics","2001","20","19","4049","","10.1021/om010448o","","","0.71069","MoKα","","0.1186","0.0663","","","0.1855","0.2059","","","","","","0.999","","","","has coordinates","244973","2020-10-21","18:00:00","" "4089309","8.6448","0.0003","17.7105","0.0009","18.9942","0.0009","90","","92.759","0.002","90","","2904.7","0.2","213","2","213","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","compound 4Me2c","","","- C29 H33 B N8 O Pd -","- C29 H33 B N8 O Pd -","- C116 H132 B4 N32 O4 Pd4 -","4","1","","Kujime, Masato; Hikichi, Shiro; Akita, Munetaka","N/O- and C-Bound (Enolato)palladium Complexes with Hydrotris(pyrazolyl)borato Ligands (TpR: R = iPr2, Me2) Obtained via Dehydrative Condensation between the Hydroxo Complexes TpRPd(Py)OH and Active Methylene Compounds: Factors Determining the Isomer Distribution and Dimerization of Cyano Compounds","Organometallics","2001","20","19","4049","","10.1021/om010448o","","","0.71069","MoKα","","0.0673","0.0423","","","0.1137","0.1261","","","","","","0.775","","","","has coordinates","244973","2020-10-21","18:00:00","" "4089310","16.5082","0.0007","14.0485","0.0006","21.205","0.001","90","","111.66","0.002","90","","4570.5","0.4","213","2","213","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","compound 6iPr2a","","","- C39 H56 B Cl2 N11 Pd -","- C39 H56 B Cl2 N11 Pd -","- C156 H224 B4 Cl8 N44 Pd4 -","4","1","","Kujime, Masato; Hikichi, Shiro; Akita, Munetaka","N/O- and C-Bound (Enolato)palladium Complexes with Hydrotris(pyrazolyl)borato Ligands (TpR: R = iPr2, Me2) Obtained via Dehydrative Condensation between the Hydroxo Complexes TpRPd(Py)OH and Active Methylene Compounds: Factors Determining the Isomer Distribution and Dimerization of Cyano Compounds","Organometallics","2001","20","19","4049","","10.1021/om010448o","","","0.71069","MoKα","","0.0893","0.0619","","","0.1622","0.1736","","","","","","1.011","","","","has coordinates","244973","2020-10-21","18:00:00","" "4089311","10.378","0.003","22.092","0.004","10.381","0.003","98.428","0.019","97.843","0.004","80.516","0.018","2306.7","1","213","2","213","2","","","","","","","","7","P -1","-P 1","2","compound 6iPr2b","","","- C40.5 H62 B Cl N9 O4 Pd -","- C40.5 H53 B Cl N9 O4 Pd -","- C81 H106 B2 Cl2 N18 O8 Pd2 -","2","1","","Kujime, Masato; Hikichi, Shiro; Akita, Munetaka","N/O- and C-Bound (Enolato)palladium Complexes with Hydrotris(pyrazolyl)borato Ligands (TpR: R = iPr2, Me2) Obtained via Dehydrative Condensation between the Hydroxo Complexes TpRPd(Py)OH and Active Methylene Compounds: Factors Determining the Isomer Distribution and Dimerization of Cyano Compounds","Organometallics","2001","20","19","4049","","10.1021/om010448o","","","0.71069","MoKα","","0.1316","0.0837","","","0.2069","0.2209","","","","","","1.231","","","","has coordinates","244973","2020-10-21","18:00:00","" "4089312","18.9753","0.0014","17.16","0.0007","11.1031","0.0008","90","","90","","90","","3615.3","0.4","213","2","213","2","","","","","","","","7","P n m a","-P 2ac 2n","62","compound 1Ni","","","- C31 H46 B Co N6 Ni O4 -","- C31 H46 B Co N6 Ni O4 -","- C124 H184 B4 Co4 N24 Ni4 O16 -","4","0.5","","Uehara, Kazuhiro; Hikichi, Shiro; Akita, Munetaka","Rational Synthesis and Reversible Metal−Metal Bond Scission of Heterobimetallic Xenophilic Complexes Containing an Unsupported, Polar Metal−Metal Bond, TpiPr2M−Co(CO)3L (M = Ni, Co, Fe, Mn; L = CO, PPh3)","Organometallics","2001","20","24","5002","","10.1021/om010651j","","","0.71069","MoKα","","0.0779","0.043","","","0.1117","0.1269","","","","","","0.662","","","","has coordinates","244974","2020-10-21","18:00:00","" "4089313","18.9886","0.0007","17.0443","0.0005","11.0816","0.0005","90","","90","","90","","3586.5","0.2","213","2","213","2","","","","","","","","6","P n m a","-P 2ac 2n","62","compound 1Co","","","- C31 H46 B Co2 N6 O4 -","- C31 H46 B Co2 N6 O4 -","- C124 H184 B4 Co8 N24 O16 -","4","0.5","","Uehara, Kazuhiro; Hikichi, Shiro; Akita, Munetaka","Rational Synthesis and Reversible Metal−Metal Bond Scission of Heterobimetallic Xenophilic Complexes Containing an Unsupported, Polar Metal−Metal Bond, TpiPr2M−Co(CO)3L (M = Ni, Co, Fe, Mn; L = CO, PPh3)","Organometallics","2001","20","24","5002","","10.1021/om010651j","","","0.71069","MoKα","","0.0826","0.041","","","0.1049","0.1271","","","","","","0.633","","","","has coordinates","244974","2020-10-21","18:00:00","" "4089314","18.766","0.0009","33.6982","0.0015","11.1454","0.0004","90","","90","","90","","7048.1","0.5","213","2","213","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","compound 1Fe","","","- C31 H46 B Co Fe N6 O4 -","- C31 H46 B Co Fe N6 O4 -","- C248 H368 B8 Co8 Fe8 N48 O32 -","8","1","","Uehara, Kazuhiro; Hikichi, Shiro; Akita, Munetaka","Rational Synthesis and Reversible Metal−Metal Bond Scission of Heterobimetallic Xenophilic Complexes Containing an Unsupported, Polar Metal−Metal Bond, TpiPr2M−Co(CO)3L (M = Ni, Co, Fe, Mn; L = CO, PPh3)","Organometallics","2001","20","24","5002","","10.1021/om010651j","","","0.71069","MoKα","","0.1282","0.0858","","","0.235","0.2462","","","","","","1.289","","","","has coordinates","244974","2020-10-21","18:00:00","" "4089315","18.9214","0.0012","33.5653","0.0019","11.2002","0.0008","90","","90","","90","","7113.3","0.8","213","2","213","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","compound 1Mn","","","- C31 H46 B Co Mn N6 O4 -","- C31 H46 B Co Mn N6 O4 -","- C248 H368 B8 Co8 Mn8 N48 O32 -","8","1","","Uehara, Kazuhiro; Hikichi, Shiro; Akita, Munetaka","Rational Synthesis and Reversible Metal−Metal Bond Scission of Heterobimetallic Xenophilic Complexes Containing an Unsupported, Polar Metal−Metal Bond, TpiPr2M−Co(CO)3L (M = Ni, Co, Fe, Mn; L = CO, PPh3)","Organometallics","2001","20","24","5002","","10.1021/om010651j","","","0.71069","MoKα","","0.1391","0.0939","","","0.2475","0.2609","","","","","","1.364","","","","has coordinates","244974","2020-10-21","18:00:00","" "4089316","21.8178","0.0014","13.9755","0.001","11.3967","0.0008","90","","104.545","0.003","90","","3363.6","0.4","213","2","213","2","","","","","","","","8","P 1 21/a 1","-P 2yab","14","compound 1'Ni_hexane","","","- C25 H33 B Br3 Co N6 Ni O4 -","- C25 H33 B Br3 Co N6 Ni O4 -","- C100 H132 B4 Br12 Co4 N24 Ni4 O16 -","4","1","","Uehara, Kazuhiro; Hikichi, Shiro; Akita, Munetaka","Rational Synthesis and Reversible Metal−Metal Bond Scission of Heterobimetallic Xenophilic Complexes Containing an Unsupported, Polar Metal−Metal Bond, TpiPr2M−Co(CO)3L (M = Ni, Co, Fe, Mn; L = CO, PPh3)","Organometallics","2001","20","24","5002","","10.1021/om010651j","","","0.71069","MoKα","","0.0859","0.0507","","","0.1292","0.1436","","","","","","0.781","","","","has coordinates","244974","2020-10-21","18:00:00","" "4089317","19.3358","0.0009","15.1917","0.0004","19.8168","0.0007","90","","109.604","0.002","90","","5483.6","0.4","213","2","213","2","","","","","","","","8","C 1 c 1","C -2yc","9","compound 4Ni_hexane","","","- C55 H69 B Co N6 Ni O3 P -","- C55 H62 B Co N6 Ni O3 P -","- C220 H248 B4 Co4 N24 Ni4 O12 P4 -","4","1","","Uehara, Kazuhiro; Hikichi, Shiro; Akita, Munetaka","Rational Synthesis and Reversible Metal−Metal Bond Scission of Heterobimetallic Xenophilic Complexes Containing an Unsupported, Polar Metal−Metal Bond, TpiPr2M−Co(CO)3L (M = Ni, Co, Fe, Mn; L = CO, PPh3)","Organometallics","2001","20","24","5002","","10.1021/om010651j","","","0.71069","MoKα","","0.0915","0.048","","","0.117","0.1399","","","","","","0.712","","","","has coordinates","244974","2020-10-21","18:00:00","" "4115409","14.573","0.002","14.5731","","14.953","0.002","90","","90","","90","","3175.6","0.6","296.2","","","","","","","","","","","5","I 41","I 4bw","80","","","","- C32 H42 Fe N4 O8 -","- C32 H42 Fe N4 O8 -","- C128 H168 Fe4 N16 O32 -","4","0.5","","Toshiyuki Moriuchi; Akihiro Nomoto; Kazuhiro Yoshida; Akiya Ogawa; Toshikazu Hirao","Chirality Organization of Ferrocenes Bearing Podand Dipeptide Chains: Synthesis and Structural Characterization","Journal of the American Chemical Society","2001","123","","68","75","10.1021/ja002869n","","","0.7107","MoKα","","","0.0515","","","","0.0365","","","","","","3.036","","","","has coordinates","176467","2020-10-21","18:00:00","" "4115410","9.294","0.001","11.783","0.001","8.924","0.001","98.65","0.01","116.481","0.009","81.41","0.01","861.05","0.17","296.2","","","","","","","","","","","5","P 1","P 1","1","","","","- C32 H46 Fe N4 O8 -","- C32 H46 Fe N4 O8 -","- C32 H46 Fe N4 O8 -","1","1","","Toshiyuki Moriuchi; Akihiro Nomoto; Kazuhiro Yoshida; Akiya Ogawa; Toshikazu Hirao","Chirality Organization of Ferrocenes Bearing Podand Dipeptide Chains: Synthesis and Structural Characterization","Journal of the American Chemical Society","2001","123","","68","75","10.1021/ja002869n","","","0.7107","MoKα","","","0.0387","","","","0.0302","","","","","","3.228","","","","has coordinates","176467","2020-10-21","18:00:00","" "4115411","10.8188","0.0007","21.434","0.001","16.306","0.001","90","","90","","90","","3781.2","0.4","296.2","","","","","","","","","","","5","C 2 2 21","C 2c 2","20","","","","- C38 H42 Fe N4 O8 -","- C38 H42 Fe N4 O8 -","- C152 H168 Fe4 N16 O32 -","4","0.5","","Toshiyuki Moriuchi; Akihiro Nomoto; Kazuhiro Yoshida; Akiya Ogawa; Toshikazu Hirao","Chirality Organization of Ferrocenes Bearing Podand Dipeptide Chains: Synthesis and Structural Characterization","Journal of the American Chemical Society","2001","123","","68","75","10.1021/ja002869n","","","0.7107","MoKα","","","0.0555","","","","0.0586","","","","","","2.246","","","","has coordinates","176467","2020-10-21","18:00:00","" "4115412","19.7525","0.0011","9.8664","0.0006","10.9577","0.0006","90","","90","","90","","2135.5","0.2","173","2","173","2","","","","","","","synthesis as described","4","P n a 21","P 2c -2n","33","[K(18-crown-6)(toluene)]","","","- C19 H32 K O6 -","- C19 H32 K O6 -","- C76 H128 K4 O24 -","4","1","","Peter B. Hitchcock; Michael F. Lappert; Andrey V. Protchenko","The First Crystalline Alkali Metal Salt of a Benzenoid Radical Anion without a Stabilizing Substituent and of a Related Dimer: X-ray Structures of the Toluene Radical Anion and of the Benzene Radical Anion Dimer Potassium-Crown Ether Salts","Journal of the American Chemical Society","2001","123","","189","190","10.1021/ja005580e","","x-ray","0.71073","MoKα","","0.0587","0.0476","","","0.1152","0.1236","","","","","","1.049","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00","" "4115413","26.1009","0.0008","16.3832","0.0007","9.13","0.0003","90","","90","","90","","3904.1","0.2","173","2","173","2","","","","","","","synthesis as described","4","P n m a","-P 2ac 2n","62","[{K(18-crown6)}2(C12H12)]","","","- C36 H60 K2 O12 -","- C36 H60 K2 O12 -","- C144 H240 K8 O48 -","4","0.5","","Peter B. Hitchcock; Michael F. Lappert; Andrey V. Protchenko","The First Crystalline Alkali Metal Salt of a Benzenoid Radical Anion without a Stabilizing Substituent and of a Related Dimer: X-ray Structures of the Toluene Radical Anion and of the Benzene Radical Anion Dimer Potassium-Crown Ether Salts","Journal of the American Chemical Society","2001","123","","189","190","10.1021/ja005580e","","x-ray","0.71073","MoKα","","0.0814","0.064","","","0.1542","0.1659","","","","","","1.062","","","","has coordinates","178925","2020-10-21","18:00:00","" "4115414","26.6844","0.0006","8.5157","0.0003","22.0803","0.0005","90","","125.751","0.002","90","","4072","0.2","173","2","173","2","","","","","","","synthesis as described","4","C 1 2/c 1","-C 2yc","15","[(18-crown-6)K(OCHCH2)].1/2(C6H6)","","","- C17 H30 K O7 -","- C17 H30 K O7 -","- C136 H240 K8 O56 -","8","1","","Peter B. Hitchcock; Michael F. Lappert; Andrey V. Protchenko","The First Crystalline Alkali Metal Salt of a Benzenoid Radical Anion without a Stabilizing Substituent and of a Related Dimer: X-ray Structures of the Toluene Radical Anion and of the Benzene Radical Anion Dimer Potassium-Crown Ether Salts","Journal of the American Chemical Society","2001","123","","189","190","10.1021/ja005580e","","x-ray","0.71073","MoKα","","0.0418","0.0339","","","0.0845","0.0906","","","","","","0.939","","","","has coordinates,has disorder","178925","2020-10-21","18:00:00","" "4115415","11.787","0.006","36.607","0.009","8.504","0.005","90","","90","","90","","3669","3","296.2","","296.2","","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C10 H8 Br2 Fe0.5 S4 Se4 -","- C10 H8 Br1.5 Fe0.25 S4 Se4 -","- C80 H64 Br12 Fe2 S32 Se32 -","8","1","","Hideki Fujiwara; Emiko Fujiwara; Yasuhiro Nakazawa; Bakhyt Zh. Narymbetov; Kiyonori Kato; Hayao Kobayashi; Akiko Kobayashi; Madoka Tokumoto; Patrick Cassoux","A Novel Antiferromagnetic Organic Superconductor κ-(BETS)2FeBr4 [Where BETS = Bis(ethylenedithio)tetraselenafulvalene]","Journal of the American Chemical Society","2001","123","","306","314","10.1021/ja002439x","","","0.7107","MoKα","","","0.053","","","0.0492","","","","","1.416","1.416","","","","","has coordinates","176467","2020-10-21","18:00:00","" "4115416","11.7472","0.001","12.1672","0.0011","15.8347","0.0014","99.2118","0.0015","101.262","0.0015","109.507","0.0014","2029.2","0.3","173","2","173","2","","","","","","","Brendan OKeefe","4","P -1","-P 1","2","Fe5(O)(OEt)13","","","- C26 H65 Fe5 O14 -","- C26 H65 Fe5 O14 -","- C52 H130 Fe10 O28 -","2","1","","Brendan J. O'Keefe; Susanne M. Monnier; Marc A. Hillmyer; William B. Tolman","Rapid and Controlled Polymerization of Lactide by Structurally Characterized Ferric Alkoxides","Journal of the American Chemical Society","2001","123","","339","340","10.1021/ja003537l","","","0.71073","MoKα","","0.0907","0.0456","","","0.1048","0.1227","","","","","","0.949","","","","has coordinates","178925","2020-10-21","18:00:00","" "4115417","12.6689","0.0007","19.7686","0.0011","9.9959","0.0005","90","","105.434","0.001","90","","2413.2","0.2","173","2","173","2","","","","","","","Brendan OKeefe","4","P 1 21/c 1","-P 2ybc","14","Fe2(OCMe2Ph)6","","","- C54 H66 Fe2 O6 -","- C27 H33 Fe O3 -","- C108 H132 Fe4 O12 -","4","1","","Brendan J. O'Keefe; Susanne M. Monnier; Marc A. Hillmyer; William B. Tolman","Rapid and Controlled Polymerization of Lactide by Structurally Characterized Ferric Alkoxides","Journal of the American Chemical Society","2001","123","","339","340","10.1021/ja003537l","","","0.71073","MoKα","","0.0473","0.0324","","","0.0729","0.078","","","","","","1.026","","","","has coordinates","178925","2020-10-21","18:00:00","" "4115418","8.4817","0.0011","11.1925","0.0015","16.342","0.003","90","","98.482","0.012","90","","1534.4","0.4","150","2","150","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C32 H38 F2 N2 Si3 -","- C32 H38 F2 N2 Si3 -","- C64 H76 F4 N4 Si6 -","2","1","","Eike Gellermann; Uwe Klingebiel; Mathias Noltemeyer; Stefan Schmatz","Silyl Group Insertion into the N-N Bond: Experimental and Quantum Chemical Results","Journal of the American Chemical Society","2001","123","","378","382","10.1021/ja001173r","","","0.71073","MoKα","","0.0601","0.0497","","0.1288","0.1166","","","","1.035","1.026","1.026","","","","","has coordinates","178925","2020-10-21","18:00:00","" "4115419","15.76","0.0003","15.76","0.0003","15.76","0.0003","90","","90","","90","","3914.43","0.13","293","2","293","2","","","","","","","","6","P n -3 m :2","-P 4bc 2bc 3","224","","","","- C24 H30 Cl Cu3 N13 O14 -","- C24 H18 Cl Cu3 N13.02 O12.04 -","- C96 H72 Cl4 Cu12 N52.08 O48.16 -","4","0.0833333","","Leandro C. Tabares; Jorge A. R. Navarro; Juan M. Salas","Cooperative Guest Inclusion by a Zeolite Analogue Coordination Polymer. Sorption Behavior with Gases and Amine and Group 1 Metal Salts","Journal of the American Chemical Society","2001","123","","383","387","10.1021/ja002624a","","","0.71073","MoKα","","0.1114","0.0649","","","0.1911","0.2233","","","","","","1.084","","","","has coordinates","178925","2020-10-21","18:00:00","" "4115420","9.7616","0.0002","15.8832","0.0004","18.6844","0.0003","90","","96.205","0.001","90","","2879.96","0.1","223.2","","223.2","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C28 H47 Br N2 Ru2 -","- C28 H47 Br N2 Ru2 -","- C112 H188 Br4 N8 Ru8 -","4","1","","Hideo Kondo; Yoshitaka Yamaguchi; Hideo Nagashima","(η5-C5Me5)Ru(μ2-iPrNC(Me)NiPr)Ru(X)(η5-C5Me5): An Unusual Bonding Mode of μ2-Amidinate Ligand Providing the First Unequivocal Evidence for Coordinating Ability of π-Conjugate Electrons of the Amidinate Ligands to Transition Metals","Journal of the American Chemical Society","2001","123","","500","501","10.1021/ja003250o","","","0.7107","MoKα","","0.0592","0.0413","","","0.1013","0.1065","","","","","","1.047","","","","has coordinates","176467","2020-10-21","18:00:00","" "4115421","9.5292","0.0005","23.655","0.001","17.134","0.001","90","","103.147","0.002","90","","3761","0.3","296.2","","223.2","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C38 H58 Br N3 -","- C38 H58 Br N3 Ru2 -","- C152 H232 Br4 N12 Ru8 -","4","1","","Hideo Kondo; Yoshitaka Yamaguchi; Hideo Nagashima","(η5-C5Me5)Ru(μ2-iPrNC(Me)NiPr)Ru(X)(η5-C5Me5): An Unusual Bonding Mode of μ2-Amidinate Ligand Providing the First Unequivocal Evidence for Coordinating Ability of π-Conjugate Electrons of the Amidinate Ligands to Transition Metals","Journal of the American Chemical Society","2001","123","","500","501","10.1021/ja003250o","","","0.7107","MoKα","","0.0519","0.036","","","0.0975","0.1134","","","","","","1.108","","","","has coordinates","176467","2020-10-21","18:00:00","" "4115422","7.1894","0.0011","12.3968","0.0019","7.6376","0.0011","90","","93.202","0.003","90","","679.64","0.18","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","aplydactone","(1R,3S,6S,8R,11S)-8-bromo-3,7,7-trimethyltetracyclo[4.4.2.01,6.03,11] dodecan-4-one","","- C15 H21 Br O -","- C15 H21 Br O -","- C30 H42 Br2 O2 -","2","1","","Sergey N. Fedorov; Oleg S. Radchenko; Larisa K. Shubina; Anatoly I. Kalinovsky; Andrey V. Gerasimenko; Dmitry Y. Popov; Valentin A. Stonik","Aplydactone, a New Sesquiterpenoid with an Unprecedented Carbon Skeleton from the Sea Hare Aplysia dactylomela, and Its Cargill-Like Rearrangement","Journal of the American Chemical Society","2001","123","","504","505","10.1021/ja003254t","","","0.71073","MoKα","","0.0288","0.0273","","","0.0665","0.067","","","","","","1.012","","","","has coordinates","178925","2020-10-21","18:00:00","" "4115423","12.757","0.002","9.726","0.002","17.8576","0.0007","90","","103.358","0.0007","90","","2155.7","0.6","180.2","","180.2","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C4 F22 O4 Pt Sb4 -","- C4 F22 O4 Pt Sb4 -","- C16 F88 O16 Pt4 Sb16 -","4","1","","Helge Willner; Matthias Bodenbinder; Raimund Bröchler; Germaine Hwang; Steven J. Rettig; James Trotter; Britta von Ahsen; Ulrich Westphal; Volker Jonas; Walter Thiel; Friedhelm Aubke","Superelectrophilic Tetrakis(carbonyl)palladium(II)- and -platinum(II) Undecafluorodiantimonate(V), [Pd(CO)4][Sb2F11]2 and [Pt(CO)4][Sb2F11]2: Syntheses, Physical and Spectroscopic Properties, Their Crystal, Molecular, and Extended Structures, and Density Functional Calculations: An Experimental, Computational, and Comparative Study","Journal of the American Chemical Society","2001","123","","588","602","10.1021/ja002360s","","","0.7107","MoKα","","0.0532","0.025","","0.0479","","0.022","","","1.16","","","1.16","","","","has coordinates","176467","2020-10-21","18:00:00","" "4115424","12.583","0.002","9.8172","0.0009","17.9895","0.0009","90","","103.118","0.001","90","","2164.2","0.4","180.2","","180.2","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C4 F22 O4 Pd Sb4 -","- C4 F22 O4 Pd Sb4 -","- C16 F88 O16 Pd4 Sb16 -","4","1","","Helge Willner; Matthias Bodenbinder; Raimund Bröchler; Germaine Hwang; Steven J. Rettig; James Trotter; Britta von Ahsen; Ulrich Westphal; Volker Jonas; Walter Thiel; Friedhelm Aubke","Superelectrophilic Tetrakis(carbonyl)palladium(II)- and -platinum(II) Undecafluorodiantimonate(V), [Pd(CO)4][Sb2F11]2 and [Pt(CO)4][Sb2F11]2: Syntheses, Physical and Spectroscopic Properties, Their Crystal, Molecular, and Extended Structures, and Density Functional Calculations: An Experimental, Computational, and Comparative Study","Journal of the American Chemical Society","2001","123","","588","602","10.1021/ja002360s","","","0.7107","MoKα","","0.056","0.025","","0.0466","","0.022","","","1.115","","","1.11","","","","has coordinates","176467","2020-10-21","18:00:00","" "4115425","14.805","0.0006","14.805","0.0006","41.608","0.002","90","","90","","120","","7898.1","0.6","203","2","203","2","","","","","","","","7","P 61","P 61","169","","","","- C53 H50 Ag2 Cl2 N4 O11 Pt2 -","- C53 H50 Ag2 Cl2 N4 O11 Pt2 -","- C318 H300 Ag12 Cl12 N24 O66 Pt12 -","6","1","","Tadashi Yamaguchi; Fumie Yamazaki; Tasuku Ito","A Helical Metal-Metal Bonded Chain via the Pt\ρightarrowAg Dative Bond","Journal of the American Chemical Society","2001","123","","743","744","10.1021/ja002906a","","","0.71069","MoKα","","0.0579","0.0405","","","0.1035","0.1132","","","","","","0.748","","","","has coordinates","178925","2020-10-21","18:00:00","" "4115426","16.7243","0.0009","23.9731","0.0012","16.9345","0.0009","90","","90.625","0.001","90","","6789.2","0.6","213","2","213","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C63 H54 Ag2 Cl2 N6 O11 Pt3 S6 -","- C63 H54 Ag2 Cl2 N6 O11 Pt3 S6 -","- C252 H216 Ag8 Cl8 N24 O44 Pt12 S24 -","4","1","","Tadashi Yamaguchi; Fumie Yamazaki; Tasuku Ito","A Helical Metal-Metal Bonded Chain via the Pt\ρightarrowAg Dative Bond","Journal of the American Chemical Society","2001","123","","743","744","10.1021/ja002906a","","","0.71069","MoKα","","0.0734","0.033","","","0.0833","0.1097","","","","","","0.63","","","","has coordinates","178925","2020-10-21","18:00:00","" "4115427","17.933","0.004","28.314","0.006","29.459","0.006","90","","104.82","0.03","90","","14460","6","110","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C84 H76 F60 N42 Ni5 Sb10 -","- C86 H70 Cl6.734 F59.388 N42 Ni5 Sb6.684 -","- C344 H280 Cl26.936 F237.552 N168 Ni20 Sb26.736 -","4","0.5","","Cristian Saul Campos-Fernández; Rodolphe Clérac; John M. Koomen; David H. Russell; Kim R. Dunbar","Fine-Tuning the Ring-Size of Metallacyclophanes: A Rational Approach to Molecular Pentagons","Journal of the American Chemical Society","2001","123","","773","774","10.1021/ja002960r","","","0.71073","MoKα","","0.152","0.116","","","0.3645","0.4099","","","","","","1.069","","","","has coordinates,has disorder","178925","2020-10-21","18:00:00","" "4115428","13.924","0.005","17.071","0.005","21.94","0.005","94.458","0.005","92.51","0.005","97.79","0.005","5144","3","110","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C72 H68 B8 F32 N36 Zn4 -","- C73 H68 B8 F32 N35 Zn4 -","- C146 H136 B16 F64 N70 Zn8 -","2","1","","Cristian Saul Campos-Fernández; Rodolphe Clérac; John M. Koomen; David H. Russell; Kim R. Dunbar","Fine-Tuning the Ring-Size of Metallacyclophanes: A Rational Approach to Molecular Pentagons","Journal of the American Chemical Society","2001","123","","773","774","10.1021/ja002960r","","","0.71069","MoKα","","0.1335","0.0695","","","0.2017","0.2614","","","","","","1.035","","","","has coordinates,has disorder","178925","2020-10-21","18:00:00","" "4115429","20.377","0.004","16.634","0.003","28.283","0.006","90","","102.3","0.03","90","","9366","3","110","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C70 H65 Cl8 N35 O32 Zn4 -","- C30 H20 Cl3.2 N13.2 O14.32 Zn1.6 -","- C300 H200 Cl32 N132 O143.2 Zn16 -","10","1.25","","Cristian Saul Campos-Fernández; Rodolphe Clérac; John M. Koomen; David H. Russell; Kim R. Dunbar","Fine-Tuning the Ring-Size of Metallacyclophanes: A Rational Approach to Molecular Pentagons","Journal of the American Chemical Society","2001","123","","773","774","10.1021/ja002960r","","","0.71073","MoKα","","0.1284","0.0764","","","0.2218","0.261","","","","","","1.024","","","","has coordinates,has disorder","178925","2020-10-21","18:00:00","" "4115430","15.082","0.003","31.922","0.006","22.305","0.005","90","","104.11","0.03","90","","10415","4","110","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C74 H73 Cl8 N36 Ni4 O33 -","- C76 H70 Cl8 N36 Ni4 O33 -","- C304 H280 Cl32 N144 Ni16 O132 -","4","1","","Cristian Saul Campos-Fernández; Rodolphe Clérac; John M. Koomen; David H. Russell; Kim R. Dunbar","Fine-Tuning the Ring-Size of Metallacyclophanes: A Rational Approach to Molecular Pentagons","Journal of the American Chemical Society","2001","123","","773","774","10.1021/ja002960r","","","0.71073","MoKα","","0.197","0.0605","","","0.1477","0.2047","","","","","","0.874","","","","has coordinates","178925","2020-10-21","18:00:00","" "4115431","10.133","0.002","9.684","0.002","38.1","0.01","90","","90.86","0.02","90","","3738.3","1.5","298.2","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H47 N9 O13 Pt2 -","- C26 N9 O13 Pt2 -","- C104 N36 O52 Pt8 -","4","1","","Yong-Shou Lin; Hanae Misawa; Jun Yamada; Kazuko Matsumoto","Synthesis of Ketonylplatinum(III) Dinuclear Complexes: Observation of the Competitive Radical vs Electrophilic Displacement in Pt(III)-Promoted C-H Bond Activation of Ketones","Journal of the American Chemical Society","2001","123","","569","575","10.1021/ja9943041","","","0.7107","MoKα","","","0.0683","","","","0.0723","","","","","","1.554","","","","has coordinates","176467","2020-10-21","18:00:00","" "4115432","10.105","0.002","17.225","0.003","9.522","0.002","104.5","0.01","96.9","0.02","73.07","0.02","1533.1","0.5","298.2","","","","","","","","","","","5","P -1","-P 1","2","","","","- C15 H39 N9 O13 Pt2 -","- C15 H38 N9 O13 Pt2 -","- C30 H76 N18 O26 Pt4 -","2","1","","Yong-Shou Lin; Hanae Misawa; Jun Yamada; Kazuko Matsumoto","Synthesis of Ketonylplatinum(III) Dinuclear Complexes: Observation of the Competitive Radical vs Electrophilic Displacement in Pt(III)-Promoted C-H Bond Activation of Ketones","Journal of the American Chemical Society","2001","123","","569","575","10.1021/ja9943041","","","0.7107","MoKα","","","0.0314","","","","0.0338","","","","","","1.152","","","","has coordinates","176467","2020-10-21","18:00:00","" "4115433","14.2877","0.0002","21.2552","0.0004","8.2422","0.0002","90","","90","","90","","2503.06","0.08","158","2","158","2","","","","","","","","5","A b a 2","A 2 -2ab","41","","","","- C16 H41 Ge N Si4 -","- C16 H41 Ge N Si4 -","- C64 H164 Ge4 N4 Si16 -","4","","","Karla A. Miller; Thomas W. Watson; John E. Bender; Mark M. Banaszak Holl; Jeff W. Kampf","Intermolecular C-H Insertions and Cyclization Reactions Involving a Stable Germylene","Journal of the American Chemical Society","2001","123","","982","983","10.1021/ja0026408","","","0.71073","MoKα","","0.0635","0.0502","","","0.1174","0.1268","","","","","","1.07","","","","has coordinates,has disorder","178925","2020-10-21","18:00:00","" "4115434","11.175","0.0007","17.992","0.001","25.141","0.002","94.951","0.004","101.792","0.003","90.832","0.004","4927","0.6","150","","","","","","","","","","?","4","P -1","-P 1","2","","","","- C105 H72 Br2 Cl18 -","- C104.5 H72 Br2 Cl18.2 -","- C209 H144 Br4 Cl36.4 -","2","1","","Sepas Setayesh; Andrew C. Grimsdale; Tanja Weil; Volker Enkelmann; Klaus Müllen; Farideh Meghdadi; Emil J. W. List; Günther Leising","Polyfluorenes with Polyphenylene Dendron Side Chains: Toward Non-Aggregating, Light-Emitting Polymers","Journal of the American Chemical Society","2001","123","","946","953","10.1021/ja0031220","","","0.71073","MoKα","","","0.0828","","","","0.088","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00","" "4115435","8.969","0.0007","12.5676","0.0009","15.6444","0.0012","90","","95.293","0.006","90","","1755.9","0.2","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H18 O4 Se2 -","- C18 H18 O4 Se2 -","- C72 H72 O16 Se8 -","4","1","","G. Mugesh; Arunashree Panda; Harkesh B. Singh; Narayan S. Punekar; Ray J. Butcher","Glutathione Peroxidase-like Antioxidant Activity of Diaryl Diselenides: A Mechanistic Study","Journal of the American Chemical Society","2001","123","","839","850","10.1021/ja994467p","","","0.71073","MoKα","","0.0934","0.0455","","","0.0886","0.1049","","","","","","1.018","","","","has coordinates","178925","2020-10-21","18:00:00","" "4115436","10.7903","0.0011","15.1341","0.0012","17.7815","0.0014","90","","90","","90","","2903.7","0.4","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C28 H36 Fe2 N2 Se2 -","- C28 H36 Fe2 N2 Se2 -","- C112 H144 Fe8 N8 Se8 -","4","1","","G. Mugesh; Arunashree Panda; Harkesh B. Singh; Narayan S. Punekar; Ray J. Butcher","Glutathione Peroxidase-like Antioxidant Activity of Diaryl Diselenides: A Mechanistic Study","Journal of the American Chemical Society","2001","123","","839","850","10.1021/ja994467p","","","0.71073","MoKα","","0.1318","0.0536","","0.129","0.0978","","","","1.054","1.154","1.154","","","","","has coordinates,has disorder","178925","2020-10-21","18:00:00","" "4115437","33.198","0.004","33.198","0.004","10.5639","0.0015","90","","90","","120","","10083","2","293","2","293","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C22 H24 N2 O2 Se2 -","- C22 H24 N2 O2 Se2 -","- C396 H432 N36 O36 Se36 -","18","1","","G. Mugesh; Arunashree Panda; Harkesh B. Singh; Narayan S. Punekar; Ray J. Butcher","Glutathione Peroxidase-like Antioxidant Activity of Diaryl Diselenides: A Mechanistic Study","Journal of the American Chemical Society","2001","123","","839","850","10.1021/ja994467p","","","0.71073","MoKα","","0.1336","0.05","","0.1092","0.0837","","","","1.03","1.113","1.113","","","","","has coordinates","201982","2020-10-21","18:00:00","" "4115438","8.778","0.003","12.643","0.003","20.268","0.004","90","","90","","90","","2249.3","1","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C22 H24 N2 O2 Se2 -","- C22 H22 N2 O2 Se2 -","- C88 H88 N8 O8 Se8 -","4","1","","G. Mugesh; Arunashree Panda; Harkesh B. Singh; Narayan S. Punekar; Ray J. Butcher","Glutathione Peroxidase-like Antioxidant Activity of Diaryl Diselenides: A Mechanistic Study","Journal of the American Chemical Society","2001","123","","839","850","10.1021/ja994467p","","","0.71073","MoKα","","0.09","0.0456","","0.1033","0.0869","","","","1.061","1.14","1.14","","","","","has coordinates,has disorder","178925","2020-10-21","18:00:00","" "4115439","7.6738","0.001","11.0274","0.0011","26.127","0.003","90","","90","","90","","2210.9","0.4","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C24 H24 N2 Se2 -","- C24 H24 N2 Se2 -","- C96 H96 N8 Se8 -","4","1","","G. Mugesh; Arunashree Panda; Harkesh B. Singh; Narayan S. Punekar; Ray J. Butcher","Glutathione Peroxidase-like Antioxidant Activity of Diaryl Diselenides: A Mechanistic Study","Journal of the American Chemical Society","2001","123","","839","850","10.1021/ja994467p","","","0.71073","MoKα","","0.1525","0.0564","","0.1661","0.1015","","","","1.033","1.058","1.058","","","","","has coordinates","178925","2020-10-21","18:00:00","" "4115440","18.912","0.003","17.042","0.003","24.318","0.004","90","","95.99","0.01","90","","7795","2","103.2","","","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C28 H49 N11 O13.5 S Y -","- C28 H44 N11 O13.5 S Y -","- C224 H352 N88 O108 S8 Y8 -","8","2","","Shin Aoki; Hiroki Kawatani; Teruhiro Goto; Eiichi Kimura; Motoo Shiro","A Double-Functionalized Cyclen with Carbamoyl and Dansyl Groups (Cyclen = 1,4,7,10-Tetraazacyclododecane): A Selective Fluorescent Probe for Y3+ and La3+","Journal of the American Chemical Society","2001","123","","1123","1132","10.1021/ja0033786","","","1.5418","CuKalpha","","","0.0993","","","","0.2288","","","","","","1.481","","","","has coordinates","176467","2020-10-21","18:00:00","" "4115441","35.361","0.001","13.7298","0.0005","18.5998","0.0006","90","","119.073","0.002","90","","7892.4","0.5","123.2","","","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C28 H51 N11 O14 S Zn -","- C28 H45 N11 O14 S Zn -","- C224 H360 N88 O112 S8 Zn8 -","8","1","","Shin Aoki; Hiroki Kawatani; Teruhiro Goto; Eiichi Kimura; Motoo Shiro","A Double-Functionalized Cyclen with Carbamoyl and Dansyl Groups (Cyclen = 1,4,7,10-Tetraazacyclododecane): A Selective Fluorescent Probe for Y3+ and La3+","Journal of the American Chemical Society","2001","123","","1123","1132","10.1021/ja0033786","","","0.7107","MoKalpha","","","0.0837","","","","0.138","","","","","","1.085","","","","has coordinates","176467","2020-10-21","18:00:00","" "4115442","4.3486","0.0003","4.3486","0.0003","44.579","0.008","90","","90","","90","","843","0.17","295","2","295","2","","","","","","","","3","I 41/a m d :2","-I 4bd 2","141","neodymium gallium antimonide","neodymium gallium antimonide","","- Ga Nd Sb2 -","- Ga Nd Sb2 -","- Ga8 Nd8 Sb16 -","8","0.25","","Allison M. Mills; Arthur Mar","Layered Rare-Earth Gallium Antimonides REGaSb2 (RE= La-Nd, Sm)","Journal of the American Chemical Society","2001","123","","1151","1158","10.1021/ja003705+","","","0.71073","MoKα","","0.0462","0.0339","","","0.0684","0.0731","","","","","","1.104","","","","has coordinates","178925","2020-10-21","18:00:00","" "4115443","4.3087","0.0005","22.093","0.004","4.3319","0.0004","90","","90","","90","","412.36","0.1","295","2","295","2","","","","","","","","3","C 2 2 21","C 2c 2","20","samarium gallium antimonide","samarium gallium antimonide","","- Ga Sb2 Sm -","- Ga Sb2 Sm -","- Ga4 Sb8 Sm4 -","4","0.5","","Allison M. Mills; Arthur Mar","Layered Rare-Earth Gallium Antimonides REGaSb2 (RE= La-Nd, Sm)","Journal of the American Chemical Society","2001","123","","1151","1158","10.1021/ja003705+","","","0.71073","MoKα","","0.0318","0.0293","","","0.0722","0.0737","","","","","","1.055","","","","has coordinates","178925","2020-10-21","18:00:00","" "4115444","26.372","0.003","25.257","0.003","15.9775","0.0016","90","","103.804","0.002","90","","10335","2","293","2","293","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C37 H18 Ag24 B2 F53 N3 O39 -","- C36 Ag24 B2 F53 N3.86 O39 -","- C144 Ag96 B8 F212 N15.44 O156 -","4","0.5","","Quan-Ming Wang; Thomas C. W. Mak","Elliptic Column Consolidated by Acetylide Dianion, Cyanide, and Trifluoroacetate in a Novel Quadruple Salt of Silver(I)","Journal of the American Chemical Society","2001","123","","1501","1502","10.1021/ja0028727","","","0.71073","MoKα","","0.1235","0.0657","","","0.1996","0.2311","","","","","","0.953","","","","has coordinates","178925","2020-10-21","18:00:00","" "4115445","13.348","0.001","15.716","0.002","17.509","0.002","70.287","0.001","84.608","0.001","69.442","0.001","3236.3","0.6","100","2","100","2","","","","","","","","5","P -1","-P 1","2","00240","","","- C76 H85 Fe N4 O5 -","- C76 H85 Fe N4 O5 -","- C152 H170 Fe2 N8 O10 -","2","1","","Chen-Yu Yeh; Christopher J. Chang; Daniel G. Nocera","""Hangman"" Porphyrins for the Assembly of a Model Heme Water Channel","Journal of the American Chemical Society","2001","123","","1513","1514","10.1021/ja003245k","","","0.71073","MoKα","","0.1251","0.0545","","","0.1184","0.1473","","","","","","1.033","","","","has coordinates","198632","2020-10-21","18:00:00","" "4115446","6.845","0.002","17.687","0.008","10.888","0.004","90","","98.28","0.02","90","","1304.4","0.9","297.2","","297.2","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C8 H F12 I O2 -","- C8 H F12 I O2 -","- C32 H4 F48 I4 O8 -","4","1","","Takayuki Kawashima; Kazuhisa Hoshiba; Naokazu Kano","Synthesis, Structure, and Reactions of a Tricoordinate 1,2-Iodoxetane","Journal of the American Chemical Society","2001","123","","1507","1508","10.1021/ja003393a","","","0.7107","MoKα","","0.0493","0.0505","","0.075","","0.0766","","","0.724","","","0.72","","","","has coordinates","201982","2020-10-21","18:00:00","" "4115447","8.764","0.005","11.259","0.005","14.458","0.005","90","","93.13","0.02","90","","1424.5","1.1","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C6 H10 I3 N2 S2 -","- C6 H10 I3 N2 S2 -","- C24 H40 I12 N8 S8 -","4","0.5","","Francesco Bigoli; Paola Deplano; Maria Laura Mercuri; Maria Angela Pellinghelli; Gloria Pintus; Angela Serpe; Emanuele F. Trogu","N,N'-Dimethylpiperazinium-2,3-dithione Triiodide, [Me2Pipdt]I3, as a Powerful New Oxidation Agent toward Metallic Platinum. Synthesis and X-ray Structures of the Reagent and the Product [Pt(Me2Pipdt)2](I3)2","Journal of the American Chemical Society","2001","123","","1788","1789","10.1021/ja0056015","","","0.71073","MoKα","","0.067","0.0447","","","0.1419","0.1509","","","","","","1.043","","","","has coordinates","178925","2020-10-21","18:00:00","" "4115448","9.072","0.006","13.303","0.005","12.611","0.005","90","","107.99","0.02","90","","1447.5","1.3","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C12 H20 I6 N4 Pt S4 -","- C12 H20 I6 N4 Pt S4 -","- C24 H40 I12 N8 Pt2 S8 -","2","0.5","","Francesco Bigoli; Paola Deplano; Maria Laura Mercuri; Maria Angela Pellinghelli; Gloria Pintus; Angela Serpe; Emanuele F. Trogu","N,N'-Dimethylpiperazinium-2,3-dithione Triiodide, [Me2Pipdt]I3, as a Powerful New Oxidation Agent toward Metallic Platinum. Synthesis and X-ray Structures of the Reagent and the Product [Pt(Me2Pipdt)2](I3)2","Journal of the American Chemical Society","2001","123","","1788","1789","10.1021/ja0056015","","","0.71073","MoKα","","0.1365","0.0506","","","0.1248","0.1393","","","","","","0.676","","","","has coordinates","178925","2020-10-21","18:00:00","" "4115449","22.81","0.005","13.15","0.003","27.67","0.006","90","","113.48","0.03","90","","7612","3","200","2","200","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C64 H86 Cd4 Cl4 N2 O Se6 -","- C64 H86 Cd4 Cl4 N2 O Se6 -","- C256 H344 Cd16 Cl16 N8 O4 Se24 -","4","1","","V. N. Soloviev; A. Eichhöfer; D. Fenske; U. Banin","Size-Dependent Optical Spectroscopy of a Homologous Series of CdSe Cluster Molecules","Journal of the American Chemical Society","2001","123","","2354","2364","10.1021/ja003598j","","","0.71073","MoKα","","0.0708","0.0513","","","0.1372","0.151","","","","","","0.685","","","","has coordinates","178925","2020-10-21","18:00:00","" "4115450","25.441","0.004","25.441","0.004","20.308","0.004","90","","90","","90","","13144","4","200","2","200","2","","","","","","","","5","I 41/a :2","-I 4ad","88","","","","- C108 H144 Cd10 P4 Se16 -","- C108 H144 Cd10 P4 Se16 -","- C432 H576 Cd40 P16 Se64 -","4","0.25","","V. N. Soloviev; A. Eichhöfer; D. Fenske; U. Banin","Size-Dependent Optical Spectroscopy of a Homologous Series of CdSe Cluster Molecules","Journal of the American Chemical Society","2001","123","","2354","2364","10.1021/ja003598j","","","0.71073","MoKα","","0.0716","0.0528","","","0.1462","0.1594","","","","","","1.107","","","","has coordinates","178925","2020-10-21","18:00:00","" "4115451","32.664","0.004","32.664","0.004","32.664","0.004","90","","90","","90","","34850","7","200","2","200","2","","","","","","","","7","F 2 3","F 2 2 3","196","","","","- C300 H304 Cd25 Cl4 O6 P4 Se41 -","- C276 Cd25 Cl4 O6 P4 Se41 -","- C1104 Cd100 Cl16 O24 P16 Se164 -","4","0.0833333","","V. N. Soloviev; A. Eichhöfer; D. Fenske; U. Banin","Size-Dependent Optical Spectroscopy of a Homologous Series of CdSe Cluster Molecules","Journal of the American Chemical Society","2001","123","","2354","2364","10.1021/ja003598j","","","0.71073","MoKα","","0.0645","0.0476","","","0.1311","0.1447","","","","","","1.013","","","","has coordinates","178925","2020-10-21","18:00:00","" "4115452","16.7447","0.0006","18.4217","0.0007","17.3976","0.0005","90","","116.619","0.001","90","","4797.7","0.3","296.2","","","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C51 H68 B Ca N O7 -","- C51 H67 B Ca N O7 -","- C204 H268 B4 Ca4 N4 O28 -","4","1","","Shinobu Itoh; Hideyuki Kumei; Shigenori Nagatomo; Teizo Kitagawa; Shunichi Fukuzumi","Effects of Metal Ions on Physicochemical Properties and Redox Reactivity of Phenolates and Phenoxyl Radicals: Mechanistic Insight into Hydrogen Atom Abstraction by Phenoxyl Radical-Metal Complexes","Journal of the American Chemical Society","2001","123","","2165","2175","10.1021/ja0036110","","","0.7107","MoKα","","","0.0649","","","","0.1706","","","","","","1.119","","","","has coordinates","176467","2020-10-21","18:00:00","" "4115453","13.2719","0.0009","15.321","0.001","12.3308","0.0007","108.05","0.003","94.392","0.002","99.524","0.002","2329.1","0.3","296.2","","","","","","","","","","","6","P -1","-P 1","2","","","","- C50 H66 B Mg N O6 -","- C50 H66 B Mg N O6 -","- C100 H132 B2 Mg2 N2 O12 -","2","1","","Shinobu Itoh; Hideyuki Kumei; Shigenori Nagatomo; Teizo Kitagawa; Shunichi Fukuzumi","Effects of Metal Ions on Physicochemical Properties and Redox Reactivity of Phenolates and Phenoxyl Radicals: Mechanistic Insight into Hydrogen Atom Abstraction by Phenoxyl Radical-Metal Complexes","Journal of the American Chemical Society","2001","123","","2165","2175","10.1021/ja0036110","","","0.7107","MoKα","","","0.0761","","","","0.1633","","","","","","1.489","","","","has coordinates","176467","2020-10-21","18:00:00","" "4115454","19.3828","0.0009","17.9403","0.0008","30.596","0.001","90","","107.374","0.0008","90","","10153.8","0.7","296.2","","","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C102 H140 B2 N2 O15 Sr2 -","- C102 H133 B2 N2 O15 Sr2 -","- C408 H532 B8 N8 O60 Sr8 -","4","1","","Shinobu Itoh; Hideyuki Kumei; Shigenori Nagatomo; Teizo Kitagawa; Shunichi Fukuzumi","Effects of Metal Ions on Physicochemical Properties and Redox Reactivity of Phenolates and Phenoxyl Radicals: Mechanistic Insight into Hydrogen Atom Abstraction by Phenoxyl Radical-Metal Complexes","Journal of the American Chemical Society","2001","123","","2165","2175","10.1021/ja0036110","","","0.7107","MoKα","","","0.113","","","","0.2484","","","","","","1.482","","","","has coordinates","176467","2020-10-21","18:00:00","" "4115455","35.486","0.002","17.9443","0.0009","17.8958","0.0008","90","","104.803","0.001","90","","11017.3","1","296.2","","","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C53 H78 B Ca N O9 -","- C53 H78 B Ca N O9 -","- C424 H624 B8 Ca8 N8 O72 -","8","1","","Shinobu Itoh; Hideyuki Kumei; Shigenori Nagatomo; Teizo Kitagawa; Shunichi Fukuzumi","Effects of Metal Ions on Physicochemical Properties and Redox Reactivity of Phenolates and Phenoxyl Radicals: Mechanistic Insight into Hydrogen Atom Abstraction by Phenoxyl Radical-Metal Complexes","Journal of the American Chemical Society","2001","123","","2165","2175","10.1021/ja0036110","","","0.7107","MoKα","","","0.0757","","","","0.1804","","","","","","1.307","","","","has coordinates","176467","2020-10-21","18:00:00","" "4115456","20.11351","0.00022","19.92999","0.00026","13.40977","0.00019","90","","90","","90","","5375.47","0.12","","","","","","","","","","","","2","P n m a","-P 2ac 2n","62","","","","- O2 Si -","- O2 Si -","- O192 Si96 -","96","12","","Carlo Lamberti; Silvia Bordiga; Adriano Zecchina; Gilberto Artioli; Gianluigi Marra; Guido Spanò","Ti Location in the MFI Framework of Ti-Silicalite-1: A Neutron Powder Diffraction Study","Journal of the American Chemical Society","2001","123","","2204","2212","10.1021/ja003657t","powder diffraction","","","","","","","","","","","","","1.82","","","","","","","has coordinates,has Fobs","176467","2020-10-21","18:00:00","" "4115457","20.07147","0.00028","19.90742","0.00032","13.38532","0.00023","90","","90","","90","","5348.39","0.15","","","","","","","","","","","","2","P n m a","-P 2ac 2n","62","","","","- O2 Si -","- O2 Si -","- O192 Si96 -","96","12","","Carlo Lamberti; Silvia Bordiga; Adriano Zecchina; Gilberto Artioli; Gianluigi Marra; Guido Spanò","Ti Location in the MFI Framework of Ti-Silicalite-1: A Neutron Powder Diffraction Study","Journal of the American Chemical Society","2001","123","","2204","2212","10.1021/ja003657t","powder diffraction","","","","","","","","","","","","","1.54","","","","","","","has coordinates,has Fobs","176467","2020-10-21","18:00:00","" "4115458","20.12825","0.00031","19.9449","0.0004","13.41945","0.00026","90","","90","","90","","5387.32","0.17","","","","","","","","","","","","2","P n m a","-P 2ac 2n","62","","","","- O2 Si -","- O2 Si -","- O192 Si96 -","96","12","","Carlo Lamberti; Silvia Bordiga; Adriano Zecchina; Gilberto Artioli; Gianluigi Marra; Guido Spanò","Ti Location in the MFI Framework of Ti-Silicalite-1: A Neutron Powder Diffraction Study","Journal of the American Chemical Society","2001","123","","2204","2212","10.1021/ja003657t","powder diffraction","","","","","","","","","","","","","1.57","","","","","","","has coordinates,has Fobs","176467","2020-10-21","18:00:00","" "4115459","6.0506","0.0006","17.507","0.002","22.199","0.002","90","","90","","90","","2351.5","0.4","223","2","223","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C27 H42 O2 -","- C27 H42 O2 -","- C108 H168 O8 -","4","1","","Teck-Peng Loh; Qi-Ying Hu; Li-Ting Ma","Formation of Tetrahydrofuran from Homoallylic Alcohol via a Tandem Sequence: 2-Oxonia [3,3]-Sigmatropic Rearrangement/Cyclization Catalyzed by In(OTf)3","Journal of the American Chemical Society","2001","123","","2450","2451","10.1021/ja005831j","","","0.71073","MoKα","","0.1264","0.0721","","","0.1474","0.1689","","","","","","0.981","","","","has coordinates,has disorder","178925","2020-10-21","18:00:00","" "4115460","10.552","0.006","18.024","0.011","13.083","0.008","90","","98.296","0.012","90","","2462","3","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","compound 34","","","- C23 H40 O6 -","- C23 H40 O6 -","- C92 H160 O24 -","4","2","","Kenji Kinoshita; Paul G Williard; Chaitan Khosla; David E. Cane","Precursor-Directed Biosynthesis of 16-Membered Macrolides by the Erythromycin Polyketide Synthase","Journal of the American Chemical Society","2001","123","","2495","2502","10.1021/ja004139l","","","0.71073","MoKα","","0.1527","0.0829","","","0.1929","0.2361","","","","","","1.009","","","","has coordinates","178925","2020-10-21","18:00:00","" "4115461","21.523","0.002","23.449","0.003","7.3211","0.0008","90","","90","","90","","3694.9","0.7","183","2","183","2","","","","","","","","4","F d d 2","F 2 -2d","43","","","","- C9 H11 N3 O3 -","- C9 H11 N3 O3 -","- C144 H176 N48 O48 -","16","1","","Lakshmaiah Gingipalli; Peter C. Dedon","Reaction of cis- and trans-2-Butene-1,4-dial with 2'-Deoxycytidine to Form Stable Oxadiazabicyclooctaimine Adducts","Journal of the American Chemical Society","2001","123","","2664","2665","10.1021/ja0056421","","","0.71073","MoKα","","0.0465","0.0435","","","0.096","0.0971","","","","","","1.145","","","","has coordinates","178925","2020-10-21","18:00:00","" "4115462","27.8463","0.0014","36.2391","0.0016","18.928","0.001","90","","90","","90","","19100.7","1.6","200","3","200","3","","","","","","","crystal provided by K. Severin","7","P c c n","-P 2ab 2ac","56","Ru-C5H3NO2-C10H14-NaCl","","","- C48 H54 Cl N3 Na O6 Ru3 -","- C48 H54 Cl N3 Na O6 Ru3 -","- C768 H864 Cl16 N48 Na16 O96 Ru48 -","16","2","","Holger Piotrowski; Kurt Polborn; Gerhard Hilt; Kay Severin","A Self-Assembled Metallomacrocyclic Ionophore with High Affinity and Selectivity for Li+ and Na+","Journal of the American Chemical Society","2001","123","","2699","2700","10.1021/ja005804t","","","0.71073","MoKα","","0.0518","0.0395","","","0.1078","0.1128","","","","","","0.994","","","","has coordinates,has disorder","178925","2020-10-21","18:00:00","" "4115463","9.8458","0.0007","11.7704","0.0008","21.5444","0.0015","97.819","0.008","90.981","0.008","100.83","0.008","2427.2","0.3","200","3","200","3","","","","","","","crystal provided by K. Severin","5","P -1","-P 1","2","Ru-C5H3NO2-C10H14","","","- C48.5 H65 N3 O11 Ru3 -","- C48.5 H55 N3 O11 Ru3 -","- C97 H110 N6 O22 Ru6 -","2","1","","Holger Piotrowski; Kurt Polborn; Gerhard Hilt; Kay Severin","A Self-Assembled Metallomacrocyclic Ionophore with High Affinity and Selectivity for Li+ and Na+","Journal of the American Chemical Society","2001","123","","2699","2700","10.1021/ja005804t","","","0.71073","MoKα","","0.0276","0.0235","","","0.0632","0.0646","","","","","","1.035","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00","" "4115464","11.1892","0.0002","14.4902","0.00029","18.7244","0.0004","105.12","0.0009","95.4252","0.0009","102.472","0.0008","2824.7","0.1","200","2","200","3","","","","","","","crystal provided by K. Severin","7","P -1","-P 1","2","Ru-C5H3NO2-C10H14-LiCl","","","- C59 H69 Cl Li N3 O7 Ru3 -","- C59 H69 Cl Li N3 O7 Ru3 -","- C118 H138 Cl2 Li2 N6 O14 Ru6 -","2","1","","Holger Piotrowski; Kurt Polborn; Gerhard Hilt; Kay Severin","A Self-Assembled Metallomacrocyclic Ionophore with High Affinity and Selectivity for Li+ and Na+","Journal of the American Chemical Society","2001","123","","2699","2700","10.1021/ja005804t","","","0.71073","MoKα","","0.0588","0.038","","","0.1064","0.1498","","","","","","1.198","","","","has coordinates","178925","2020-10-21","18:00:00","" "4115465","10.9561","0.0009","8.4306","0.0005","21.382","0.002","90","","94.836","0.011","90","","1967.9","0.3","220","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Dibutylamino-thiophen-2-ylmethylene-4-methyl-2,6-dioxo- 1,2,5,6-tetrahydropyridine-3-carbonitrile","","","- C20 H25 N3 O2 S -","- C20 H25 N3 O2 S -","- C80 H100 N12 O8 S4 -","4","1","","Frank Würthner; Sheng Yao; Joachim Schilling; Rüdiger Wortmann; Mesfin Redi-Abshiro; Erwin Mecher; Francisco Gallego-Gomez; Klaus Meerholz","ATOP Dyes. Optimization of a Multifunctional Merocyanine Chromophore for High Refractive Index Modulation in Photorefractive Materials","Journal of the American Chemical Society","2001","123","","2810","2824","10.1021/ja002321g","","","0.71073","MoKα","","0.0658","0.0405","","","0.0975","0.1043","","","","","","0.92","","","","has coordinates","201982","2020-10-21","18:00:00","" "4115466","17.6048","0.0006","17.6048","0.0006","26.653","0.001","90","","90","","120","","7153.8","0.4","173.2","","","","","","","","","","","5","P 31 2 1","P 31 2""","152","","","","- C98 H80 As3 La O9 -","- C101 H68 As3 La O11 -","- C303 H204 As9 La3 O33 -","3","0.5","","Tetsuhiro Nemoto; Takashi Ohshima; Kentaro Yamaguchi; Masakatsu Shibasaki","Catalytic Asymmetric Epoxidation of Enones Using La-BINOL-Triphenylarsine Oxide Complex: Structural Determination of the Asymmetric Catalyst","Journal of the American Chemical Society","2001","123","","2725","2732","10.1021/ja004201e","","","0.7107","MoKα","","","0.0544","","","","0.082","","","","","","1.845","","","","has coordinates","176467","2020-10-21","18:00:00","" "4115467","9.0758","0.0002","20.0931","0.0005","9.8574","0.0002","90","","109.627","0.002","90","","1693.16","0.07","173.2","","173.2","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C38 H41 F3 O3 Si -","- C38 H41 F3 O3 Si -","- C76 H82 F6 O6 Si2 -","2","1","","Atsushi Kawachi; Hirofumi Maeda; Hiroshi Nakamura; Noriyuki Doi; Kohei Tamao","Chirality Transfer during the [2,3]-sila-Wittig Rearrangement and Cyclopropanation Reaction of Optically Active [(sec-Allyloxy)silyl]lithiums","Journal of the American Chemical Society","2001","123","","3143","3144","10.1021/ja003749i","","","0.7107","MoKα","","0.0514","0.0514","","","0.0723","0.072","","","","","","0.976","","","","has coordinates","176467","2020-10-21","18:00:00","" "4115468","11.1315","0.0011","11.4183","0.0011","12.4438","0.0013","106.269","0.012","105.153","0.012","111.573","0.011","1289","0.3","183","2","183","2","","","","","","","","6","P -1","-P 1","2","[K(cryptand)]H3BCO2H","Potassium (4,7,13,16,21,24-hexaoxa-1,10-diazobicyclo[8.8.8]hexacosane) boranocarbonate","","- C19 H40 B K N2 O8 -","- C19 H40 B K N2 O8 -","- C38 H80 B2 K2 N4 O16 -","2","1","","Roger Alberto; Kirstin Ortner; Nigel Wheatley; Roger Schibli; August P. Schubiger","Synthesis and Properties of Boranocarbonate: A Convenient in Situ CO Source for the Aqueous Preparation of [99mTc(OH2)3(CO)3]+","Journal of the American Chemical Society","2001","123","","3135","3136","10.1021/ja003932b","","","0.71073","MoKα","","0.0878","0.0448","","","0.0988","0.107","","","","","","0.821","","","","has coordinates","178925","2020-10-21","18:00:00","" "4115469","15.134","0.003","47.621","0.008","22.431","0.004","90","","91.947","0.002","90","","16157","5","150","2","150","2","","","","","","","","7","P 1 c 1","P -2yc","7","","","","- C324 H368 B8 Cl4 La4 N20 O52 -","- C324 H278 B8 Cl4 La4 N20 O52 -","- C648 H556 B16 Cl8 La8 N40 O104 -","2","1","","De-Liang Long; Alexander J. Blake; Neil R. Champness; Claire Wilson; Martin Schröder","Lanthanum Coordination Networks Based on Unusual Five-Connected Topologies","Journal of the American Chemical Society","2001","123","","3401","3402","10.1021/ja0030461","","","0.71073","MoKα","","0.111","0.091","","","0.22","0.23","","","","","","1.11","","","","has coordinates","211332","2020-10-21","18:00:00","" "4115470","48.422","0.007","21.958","0.003","15.814","0.002","90","","90","","90","","16814","4","150","2","150","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C92.5 H98 B3 La N5 O12.5 -","- C92.505 H92 B3 La N5 O12.51 -","- C740.04 H736 B24 La8 N40 O100.08 -","8","1","","De-Liang Long; Alexander J. Blake; Neil R. Champness; Claire Wilson; Martin Schröder","Lanthanum Coordination Networks Based on Unusual Five-Connected Topologies","Journal of the American Chemical Society","2001","123","","3401","3402","10.1021/ja0030461","","","0.71073","MoKα","","0.134","0.081","","","0.164","0.192","","","","","","1.147","","","","has coordinates","211332","2020-10-21","18:00:00","" "4115471","15.963","0.001","11.278","0.001","15.269","0.001","90","","93.842","0.004","90","","2742.7","0.3","123.2","","123.2","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C31 H37 O3 P -","- C31 H37 O3 P -","- C124 H148 O12 P4 -","4","1","","Junji Kobayashi; Kei Goto; Takayuki Kawashima","5-Carbaphosphatranes: The First Main Group Atrane Bearing a 1-5 Covalent Bond","Journal of the American Chemical Society","2001","123","","3387","3388","10.1021/ja0056264","","","0.7107","MoKα","","0.0907","0.055","","0.113","","0.058","","","7.541","","","3.84","","","","has coordinates","201982","2020-10-21","18:00:00","" "4115472","23.5389","0.0009","23.5389","0.0009","12.1031","0.0007","90","","90","","90","","6706.1","0.5","153","2","153","2","","","","","","","","3","P 42/m n m","-P 4n 2n","136","clathrate-III","","","- Cs3.75 Na0.31 Sn20.33 -","- Cs3.75 Na0.305 Sn20.33 -","- Cs30 Na2.44 Sn162.64 -","8","0.5","","Svilen Bobev; Slavi C. Sevov","Clathrate III of Group 14 Exists After All","Journal of the American Chemical Society","2001","123","","3389","3390","10.1021/ja010010f","","","0.71073","MoKα","","0.0592","0.0546","","","0.0999","0.1041","","","","","","1.304","","","","has coordinates","178925","2020-10-21","18:00:00","" "4115473","23.5566","0.0009","23.5566","0.0009","12.104","0.0009","90","","90","","90","","6716.7","0.6","293","2","293","2","","","","","","","","3","P 42/m n m","-P 4n 2n","136","clathrate-III","","","- Cs3.75 Na0.36 Sn20.29 -","- Cs3.75 Na0.37 Sn20.29 -","- Cs30 Na2.96 Sn162.32 -","8","0.5","","Svilen Bobev; Slavi C. Sevov","Clathrate III of Group 14 Exists After All","Journal of the American Chemical Society","2001","123","","3389","3390","10.1021/ja010010f","","","0.71073","MoKα","","0.1037","0.0824","","","0.1534","0.1611","","","","","","1.204","","","","has coordinates","178925","2020-10-21","18:00:00","" "4115474","23.49","0.001","23.49","0.001","12.087","0.001","90","","90","","90","","6669.4","0.7","293","2","293","2","","","","","","","","4","P 42/m n m","-P 4n 2n","136","clathrate-III","","","- Cs1.72 Na0.35 Rb2.03 Sn20.31 -","- Cs1.712 Na0.345 Rb2.038 Sn20.305 -","- Cs13.696 Na2.76 Rb16.304 Sn162.44 -","8","0.5","","Svilen Bobev; Slavi C. Sevov","Clathrate III of Group 14 Exists After All","Journal of the American Chemical Society","2001","123","","3389","3390","10.1021/ja010010f","","","0.71073","MoKα","","0.0987","0.0542","","","0.0761","0.0861","","","","","","1.058","","","","has coordinates","178925","2020-10-21","18:00:00","" "4115475","13.06","0.003","19.961","0.006","19.985","0.006","90","","90","","90","","5210","3","291","2","291","2","","","","","","","synthesis as described","6","F 2 2 2","F 2 2","22","","","","- C14 H10 Cl0.5 K0.5 Mo O8 -","- C14 H6 Cl0.5 K0.5 Mo O8 -","- C112 H48 Cl4 K4 Mo8 O64 -","8","0.5","","Teerayuth Liwporncharoenvong; Rudy L. Luck","Quadruply Bonded Dimolybdenum Atoms Surrounded by Dendrons: Preparation, Characterization, and Electrochemistry","Journal of the American Chemical Society","2001","123","","3615","3616","10.1021/ja0155130","","x-ray","0.71073","Mokα","","0.1034","0.079","","","0.2367","0.2517","","","","","","1.212","","","","has coordinates","176467","2020-10-21","18:00:00","" "4115476","23.873","0.005","11.955","0.004","22.234","0.004","90","","116.47","0.01","90","","5680","3","296.2","","296.2","","","","","","","","","8","C 1 c 1","C -2yc","9","","","","- C53 H69 O3 P Pd2 Ru2 S4 Ti2 -","- C53 H57 O3 P Pd2 Ru2 S4 Ti2 -","- C212 H228 O12 P4 Pd8 Ru8 S16 Ti8 -","4","1","","Shigeki Kuwata; Shin-ichiro Kabashima; Youichi Ishii; Masanobu Hidai","A Ti2Ru2Pd2 Oxo-Sulfido Cluster Synthesized by Linking Two Rationally Preorganized TiRuPdS2 Heterotrimetallic Units with an Oxo Ligand: Its Reaction with an Alkyne","Journal of the American Chemical Society","2001","123","","3826","3827","10.1021/ja0040666","","","0.7107","MoKα","","0.0405","0.0405","","","0.0471","0.0471","","","","","","1.539","","","","has coordinates","176467","2020-10-21","18:00:00","" "4115477","25.129","0.004","25.477","0.004","18.786","0.003","90","","90","","90","","12027","3","294.2","","294.2","","","","","","","","","8","P b c a","-P 2ac 2ab","61","","","","- C58 H71 O6 P Pd2 Ru2 S4 Ti2 -","- C58 H71 O6 P Pd2 Ru2 S4 Ti2 -","- C464 H568 O48 P8 Pd16 Ru16 S32 Ti16 -","8","1","","Shigeki Kuwata; Shin-ichiro Kabashima; Youichi Ishii; Masanobu Hidai","A Ti2Ru2Pd2 Oxo-Sulfido Cluster Synthesized by Linking Two Rationally Preorganized TiRuPdS2 Heterotrimetallic Units with an Oxo Ligand: Its Reaction with an Alkyne","Journal of the American Chemical Society","2001","123","","3826","3827","10.1021/ja0040666","","","0.7107","MoKα","","0.0476","0.0476","","","0.0479","0.0479","","","","","","1.464","","","","has coordinates","176467","2020-10-21","18:00:00","" "4115478","8.598","0.002","12.995","0.003","13.081","0.002","75.36","0.02","87.35","0.02","82.3","0.02","1401.2","0.5","294","","294","","","","","","","","","5","P -1","-P 1","2","","","","- C21 H24 F3 O3 S9 -","- C21 H24 F3 O3 S9 -","- C42 H48 F6 O6 S18 -","2","1","","Michel Giffard; Gilles Mabon; Emmanuel Leclair; Nicolas Mercier; Magali Allain; Alain Gorgues; Philippe Molinié; Ojars Neilands; Pnina Krief; Vladimir Khodorkovsky","Oxidation of TTF Derivatives Using (Diacetoxyiodo)benzene: a General Chemical Route toward Cation Radicals, Dications, and Nonstoichiometric Salts","Journal of the American Chemical Society","2001","123","","3852","3853","10.1021/ja0058839","","","0.71073","Mo-Kα","","0.139","0.047","","0.155","","0.069","","","2.697","","","1.152","","","","has coordinates","178925","2020-10-21","18:00:00","" "4115479","21.53","0.007","7.9538","0.0009","15.846","0.006","90","","72.79","0.04","90","","2592.1","1.4","294","","294","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H10 F6 O7 S10 -","- C14 H8 F6 O7 S10 -","- C56 H32 F24 O28 S40 -","4","1","","Michel Giffard; Gilles Mabon; Emmanuel Leclair; Nicolas Mercier; Magali Allain; Alain Gorgues; Philippe Molinié; Ojars Neilands; Pnina Krief; Vladimir Khodorkovsky","Oxidation of TTF Derivatives Using (Diacetoxyiodo)benzene: a General Chemical Route toward Cation Radicals, Dications, and Nonstoichiometric Salts","Journal of the American Chemical Society","2001","123","","3852","3853","10.1021/ja0058839","","","0.71073","Mo-Kα","","0.183","0.047","","0.223","","0.064","","","4.48","","","1.254","","","","has coordinates","178925","2020-10-21","18:00:00","" "4115480","18.704","0.003","18.704","0.003","3.7792","0.0007","90","","90","","120","","1145","0.3","299","1","299","1","","","","","","","Synthesized in the laboratory of R. C. Haddon.","2","R 3 m :H","R 3 -2""","160","Perchlorophenalenyl","Perchlorophenalenyl","","- C13 Cl9 -","- C13 Cl9 -","- C39 Cl27 -","3","0.166667","","P. A. Koutentis; Y. Chen; Y. Cao; T. P. Best; M. E. Itkis; L. Beer; R. T. Oakley; A. W. Cordes; C. P. Brock; R. C. Haddon","Perchlorophenalenyl Radical","Journal of the American Chemical Society","2001","123","","3864","3871","10.1021/ja0018015","","","0.71073","MoKα","","0.041","0.04","","","0.1","0.1","","","","","","1.07","","","","has coordinates","178925","2020-10-21","18:00:00","" "4115481","13.328","0.0013","17.41","0.0017","29.76","0.003","90","0.009","90","0.009","90","0.009","6905.5","1.2","100","","293","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C56 H98 O36.078 -","- C56 H98 O36.079 -","- C224 H392 O144.316 -","4","1","","John J. Stezowski; William Parker; Sherri Hilgenkamp; Maria Gdaniec","Pseudopolymorphism in Tetradeca-2,6-O-methyl-β-cyclodextrin: The Crystal Structures for Two New Hydrates Conformational Variability in the Alkylated β-Cyclodextrin Molecule","Journal of the American Chemical Society","2001","123","","3919","3926","10.1021/ja002164l","","","0.71073","MoKα","","0.117","0.07","","0.154","","0.116","","","1.154","","","1.29","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00","" "4115482","13.976","0.007","20.763","0.007","28.807","0.008","90","","90","","90","","8359","6","100","","100","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C56 H97 O49.7 -","- C56 H97 O49.7 -","- C224 H388 O198.8 -","4","1","","John J. Stezowski; William Parker; Sherri Hilgenkamp; Maria Gdaniec","Pseudopolymorphism in Tetradeca-2,6-O-methyl-β-cyclodextrin: The Crystal Structures for Two New Hydrates Conformational Variability in the Alkylated β-Cyclodextrin Molecule","Journal of the American Chemical Society","2001","123","","3919","3926","10.1021/ja002164l","","","0.71073","MoKα","","0.133","0.088","","0.166","","0.142","","","1.24","","","1.545","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00","" "4115483","12.635","0.004","21.115","0.006","29.197","0.008","91.602","0.006","102.387","0.006","91.953","0.006","7599","4","170","2","170","2","","","","","","","","7","P -1","-P 1","2","","K(K-crypt)5[Bi3Mo2(CO)6]2*3en","","- C108 H204 Bi6 K6 Mo4 N16 O42 -","- C108 H204.04 Bi6 K6 Mo4 N16 O42 -","- C216 H408.08 Bi12 K12 Mo8 N32 O84 -","2","1","","Li Xu; Angel Ugrinov; Slavi C. Sevov","Stabilization of Ozone-like [Bi3]3- in the Heteroatomic closo-Clusters [Bi3Cr2(CO)6]3- and [Bi3Mo2(CO)6]3-","Journal of the American Chemical Society","2001","123","","4091","4092","10.1021/ja0038732","","","0.71073","MoKα","","0.1724","0.1303","","","0.3148","0.3386","","","","","","1.088","","","","has coordinates","178925","2020-10-21","18:00:00","" "4115484","12.679","0.003","17.724","0.002","18.254","0.002","71.31","0.01","81.37","0.03","78.82","0.02","3794.9","1.1","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","K(K-crypt)5[Bi3Cr2(CO)6]2*3en","","- C106 H196 Bi6 Cr4 K6 N14 O42 -","- C106 H196.02 Bi6 Cr4 K6 N14 O42 -","- C106 H196.02 Bi6 Cr4 K6 N14 O42 -","1","0.5","","Li Xu; Angel Ugrinov; Slavi C. Sevov","Stabilization of Ozone-like [Bi3]3- in the Heteroatomic closo-Clusters [Bi3Cr2(CO)6]3- and [Bi3Mo2(CO)6]3-","Journal of the American Chemical Society","2001","123","","4091","4092","10.1021/ja0038732","","","0.71073","MoKα","","0.1899","0.0765","","","0.1665","0.2175","","","","","","1.002","","","","has coordinates","178925","2020-10-21","18:00:00","" "4115485","12.4636","0.0007","19.092","0.001","25.5423","0.0014","104.284","0.001","92.547","0.001","100.368","0.001","5768.6","0.5","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C43 H83.5 Mo6 N3 O18.25 -","- C43 H80.14 Mo6 N3 O18.25 -","- C172 H320.56 Mo24 N12 O73 -","4","2","","Yongge Wei; Bubin Xu; Charles L. Barnes; Zhonghua Peng","An Efficient and Convenient Reaction Protocol to Organoimido Derivatives of Polyoxometalates","Journal of the American Chemical Society","2001","123","","4083","4084","10.1021/ja004033q","","","0.71073","MoKα","","0.0936","0.054","","","0.1235","0.1437","","","","","","1.029","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00","" "4115486","12.4358","0.0005","19.0658","0.0008","25.4922","0.0011","103.726","0.001","92.319","0.001","99.787","0.001","5765.5","0.4","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C41.5 H83 I Mo6 N3 O18.5 -","- C41.5 H80.53 I Mo6 N3 O18.5 -","- C166 H322.12 I4 Mo24 N12 O74 -","4","2","","Yongge Wei; Bubin Xu; Charles L. Barnes; Zhonghua Peng","An Efficient and Convenient Reaction Protocol to Organoimido Derivatives of Polyoxometalates","Journal of the American Chemical Society","2001","123","","4083","4084","10.1021/ja004033q","","","0.71073","MoKα","","0.0728","0.0564","","","0.1457","0.1566","","","","","","1.067","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00","" "4115487","12.1352","0.001","12.4919","0.001","19.6515","0.0016","107.323","0.001","97.324","0.001","100.018","0.001","2749.1","0.4","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C40 H81 Mo6 N3 O18 -","- C40 H81 Mo6 N3 O18 -","- C80 H162 Mo12 N6 O36 -","2","1","","Yongge Wei; Bubin Xu; Charles L. Barnes; Zhonghua Peng","An Efficient and Convenient Reaction Protocol to Organoimido Derivatives of Polyoxometalates","Journal of the American Chemical Society","2001","123","","4083","4084","10.1021/ja004033q","","","0.71073","MoKα","","0.0924","0.068","","","0.1549","0.1663","","","","","","1.064","","","","has coordinates","178925","2020-10-21","18:00:00","" "4115488","13.3842","0.0007","17.2197","0.0009","16.3424","0.0009","90","","100.512","0.001","90","","3703.3","0.3","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C50 H114 Mo8 N6 O28 -","- C50 H114 Mo8 N6 O28 -","- C100 H228 Mo16 N12 O56 -","2","0.5","","Yongge Wei; Bubin Xu; Charles L. Barnes; Zhonghua Peng","An Efficient and Convenient Reaction Protocol to Organoimido Derivatives of Polyoxometalates","Journal of the American Chemical Society","2001","123","","4083","4084","10.1021/ja004033q","","","0.71073","MoKα","","0.0298","0.0231","","","0.0591","0.0614","","","","","","1.104","","","","has coordinates","178925","2020-10-21","18:00:00","" "4115489","16.633","0.002","14.7594","0.0014","23.571","0.002","90","","90","","90","","5786.5","1","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","cis-Dimethyl(bis(dicyclohexylphosphino)methane)palladium(II)","","- C27 H52 P2 Pd -","- C27 H52 P2 Pd -","- C216 H416 P16 Pd8 -","8","1","","Steven M. Reid; Joel T. Mague; Mark J. Fink","Facile Reductive Elimination of Ethane from Strained Dimethylpalladium(II) Complexes","Journal of the American Chemical Society","2001","123","","4081","4082","10.1021/ja0056062","","","0.71073","MoKα","","0.1015","0.039","","","0.1004","0.1202","","","","","","1.019","","","","has coordinates","178925","2020-10-21","18:00:00","" "4115490","16.3049","0.0014","19.636","0.002","16.8965","0.0018","90","","105.713","0.01","90","","5207.5","0.9","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Mu-bis(bis(dicyclohexylphosphino)methane)dipalladium(Pd-Pd)","","- C50 H92 P4 Pd2 -","- C50 H92 P4 Pd2 -","- C200 H368 P16 Pd8 -","4","1","","Steven M. Reid; Joel T. Mague; Mark J. Fink","Facile Reductive Elimination of Ethane from Strained Dimethylpalladium(II) Complexes","Journal of the American Chemical Society","2001","123","","4081","4082","10.1021/ja0056062","","","0.71073","MoKα","","0.1303","0.0386","","","0.0948","0.1112","","","","","","1.061","","","","has coordinates","178925","2020-10-21","18:00:00","" "4115491","12.4484","0.0013","11.1542","0.0009","16.7454","0.0013","90","","103.242","0.007","90","","2263.3","0.4","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","cis-Tetramethylbis(mu-bis(dimethylphosphino)methane)dipalladium(II)","","- C7 H20 P2 Pd -","- C7 H20 P2 Pd -","- C56 H160 P16 Pd8 -","8","2","","Steven M. Reid; Joel T. Mague; Mark J. Fink","Facile Reductive Elimination of Ethane from Strained Dimethylpalladium(II) Complexes","Journal of the American Chemical Society","2001","123","","4081","4082","10.1021/ja0056062","","","0.71073","MoKα","","0.0421","0.0241","","","0.062","0.066","","","","","","1.073","","","","has coordinates","178925","2020-10-21","18:00:00","" "4115492","14.687","0.0003","20.6491","0.0003","27.5075","0.0002","90","","90","","90","","8342.3","0.2","295","2","295","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C99 H90 Cl4 N4 Ru -","- C99 H90 Cl4 N4 Ru -","- C396 H360 Cl16 N16 Ru4 -","4","1","","Chi-Ming Che; Jie-Sheng Huang; Fu-Wa Lee; Yan Li; Tat-Shing Lai; Hoi-Lun Kwong; Pang-Fei Teng; Wing-Sze Lee; Wai-Cheung Lo; Shie-Ming Peng; Zhong-Yuan Zhou","Asymmetric Inter- and Intramolecular Cyclopropanation of Alkenes Catalyzed by Chiral Ruthenium Porphyrins. Synthesis and Crystal Structure of a Chiral Metalloporphyrin Carbene Complex","Journal of the American Chemical Society","2001","123","","4119","4129","10.1021/ja001416f","","","0.71073","MoKα","","0.1421","0.0808","","0.2101","0.1756","","","","1.017","1.081","1.081","","","","","has coordinates","178925","2020-10-21","18:00:00","" "4115493","14.2648","0.0011","18.1252","0.0014","16.7048","0.0013","90","","98.612","0.002","90","","4270.4","0.6","294","2","294","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C98 H92 Cl6 N4 O2 Ru -","- C98 H81 Cl7 N4 O2 Ru -","- C196 H162 Cl14 N8 O4 Ru2 -","2","1","","Chi-Ming Che; Jie-Sheng Huang; Fu-Wa Lee; Yan Li; Tat-Shing Lai; Hoi-Lun Kwong; Pang-Fei Teng; Wing-Sze Lee; Wai-Cheung Lo; Shie-Ming Peng; Zhong-Yuan Zhou","Asymmetric Inter- and Intramolecular Cyclopropanation of Alkenes Catalyzed by Chiral Ruthenium Porphyrins. Synthesis and Crystal Structure of a Chiral Metalloporphyrin Carbene Complex","Journal of the American Chemical Society","2001","123","","4119","4129","10.1021/ja001416f","","","0.71073","MoKα","","0.0804","0.0614","","","0.1518","0.163","","","","","","0.96","","","","has coordinates,has disorder","178925","2020-10-21","18:00:00","" "4115494","8.503","0.002","17.34","0.005","6.5329","0.0013","94.07","0.02","110.73","0.02","89.36","0.02","898.5","0.4","296.2","","296.2","","","","","","","","","5","P -1","-P 1","2","","","","- C24 H24 F6 P S16 -","- C24 H24 F6 P0.5 S16 -","- C24 H24 F6 P0.5 S16 -","1","0.5","","Jun-ichi Yamada; Maki Watanabe; Hiroki Akutsu; Shin'ichi Nakatsuji; Hiroyuki Nishikawa; Isao Ikemoto; Koichi Kikuchi","New Organic Superconductors β-(BDA-TTP)2X [BDA-TTP = 2,5-Bis(1,3-dithian-2-ylidene)-1,3,4,6-tetrathiapentalene; X-= SbF6-, AsF6-, and PF6-]","Journal of the American Chemical Society","2001","123","","4174","4180","10.1021/ja002290p","","","0.7107","MoKα","","0.0559","0.056","","0.054","","0.054","","","1.985","","","1.98","","","","has coordinates","176467","2020-10-21","18:00:00","" "4115495","8.523","0.003","17.449","0.005","6.518","0.002","93.95","0.02","110.74","0.02","89.13","0.02","904.3","0.5","296.2","","296.2","","","","","","","","","5","P -1","-P 1","2","","","","- C24 H24 As F6 S16 -","- C24 H24 As0.5 F6 S16 -","- C24 H24 As0.5 F6 S16 -","1","0.5","","Jun-ichi Yamada; Maki Watanabe; Hiroki Akutsu; Shin'ichi Nakatsuji; Hiroyuki Nishikawa; Isao Ikemoto; Koichi Kikuchi","New Organic Superconductors β-(BDA-TTP)2X [BDA-TTP = 2,5-Bis(1,3-dithian-2-ylidene)-1,3,4,6-tetrathiapentalene; X-= SbF6-, AsF6-, and PF6-]","Journal of the American Chemical Society","2001","123","","4174","4180","10.1021/ja002290p","","","0.7107","MoKα","","0.0562","0.056","","0.063","","0.063","","","2.053","","","2.05","","","","has coordinates","176467","2020-10-21","18:00:00","" "4115496","8.579","0.001","17.636","0.002","6.514","0.001","93.79","0.01","110.75","0.01","89","0.01","919.6","0.2","296.2","","296.2","","","","","","","","","5","P -1","-P 1","2","","","","- C24 H24 F6 S16 Sb -","- C24 H24 F6 S16 Sb0.5 -","- C24 H24 F6 S16 Sb0.5 -","1","0.5","","Jun-ichi Yamada; Maki Watanabe; Hiroki Akutsu; Shin'ichi Nakatsuji; Hiroyuki Nishikawa; Isao Ikemoto; Koichi Kikuchi","New Organic Superconductors β-(BDA-TTP)2X [BDA-TTP = 2,5-Bis(1,3-dithian-2-ylidene)-1,3,4,6-tetrathiapentalene; X-= SbF6-, AsF6-, and PF6-]","Journal of the American Chemical Society","2001","123","","4174","4180","10.1021/ja002290p","","","0.7107","MoKα","","0.0377","0.038","","0.034","","0.034","","","1.966","","","1.97","","","","has coordinates","176467","2020-10-21","18:00:00","" "4115497","7.3915","0.0015","3.7723","0.0008","6.9434","0.0014","90","","90","","90","","193.6","0.07","293","2","293","2","","","","","","","","2","P n m a","-P 2ac 2n","62","","","","- Te Zr -","- Te Zr -","- Te4 Zr4 -","4","0.5","","Gissur Örlygsson; Bernd Harbrecht","Structure, Properties, and Bonding of ZrTe (MnP Type), a Low-Symmetry, High-Temperature Modification of ZrTe (WC Type)","Journal of the American Chemical Society","2001","123","","4168","4173","10.1021/ja004164r","","","0.71073","MoKα","","0.0215","0.0212","","","0.0519","0.0519","","","","","","1.208","","","","has coordinates","178925","2020-10-21","18:00:00","" "4115498","13.296","0.001","11.8738","0.0009","19.282","0.002","90","0.005","100.581","0.002","90","0.005","2992.4","0.4","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C32 H30 N2 O4 Pt Se2 -","- C32 H30 N2 O4 Pt Se2 -","- C128 H120 N8 O16 Pt4 Se8 -","4","1","","Vincenzo G. Albano; Magda Monari; Ida Orabona; Achille Panunzi; Francesco Ruffo","Oxidative Additions of E-E Bonds (E = Chalcogen) to Group 10 Metals: ""Tunable"" Cleavage of Se-Se Bonds by Pt(0) Complexes","Journal of the American Chemical Society","2001","123","","4352","4353","10.1021/ja005870v","","","0.71069","MoKα","","0.0766","0.0345","","","0.0616","0.0688","","","","","","0.783","","","","has coordinates","178925","2020-10-21","18:00:00","" "4115499","7.5299","0.0006","12.4646","0.001","21.4301","0.0018","90","","90","","90","","2011.4","0.3","173","2","173","2","","","","","","","","5","C m c m","-C 2c 2","63","bis(guanidinium)-1,4-benzenedisulfonate, tetrahydrofuran clathrate","","","- C12 H24 N6 O7 S2 -","- C12 H24 N6 O7 S2 -","- C48 H96 N24 O28 S8 -","4","0.25","","K. Travis Holman; Stephen M. Martin; Daniel P. Parker; Michael D. Ward","The Generality of Architectural Isomerism in Designer Inclusion Frameworks","Journal of the American Chemical Society","2001","123","","4421","4431","10.1021/ja0030257","","","0.71073","MoKα","","0.0333","0.0318","","","0.0875","0.0883","","","","","","1.097","","","","has coordinates","178925","2020-10-21","18:00:00","" "4115500","7.6465","0.0006","11.6218","0.0009","17.625","0.0013","90","","96.211","0.001","90","","1557.1","0.2","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","bis(guanidinium)-1,4-benzenedisulfonate, benzene clathrate","","","- C13 H17 N3 O3 S -","- C13 H17 N3 O3 S -","- C52 H68 N12 O12 S4 -","4","1","","K. Travis Holman; Stephen M. Martin; Daniel P. Parker; Michael D. Ward","The Generality of Architectural Isomerism in Designer Inclusion Frameworks","Journal of the American Chemical Society","2001","123","","4421","4431","10.1021/ja0030257","","","0.71073","MoKα","","0.0514","0.0418","","","0.113","0.1158","","","","","","1.19","","","","has coordinates","178926","2020-10-21","18:00:00","" "4115501","13.4285","0.0009","12.5989","0.0009","17.785","0.0012","90","","90","","90","","3008.9","0.4","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","bis(guanidinium)-1,4-benzenedisulfonate, p-xylene clathrate","","","- C12 H18 N3 O3 S -","- C12 H18 N3 O3 S -","- C96 H144 N24 O24 S8 -","8","1","","K. Travis Holman; Stephen M. Martin; Daniel P. Parker; Michael D. Ward","The Generality of Architectural Isomerism in Designer Inclusion Frameworks","Journal of the American Chemical Society","2001","123","","4421","4431","10.1021/ja0030257","","","0.71073","MoKα","","0.0498","0.0344","","","0.0971","0.1031","","","","","","1.057","","","","has coordinates","178926","2020-10-21","18:00:00","" "4115502","13.1459","0.0008","12.4292","0.0008","18.8824","0.0012","90","","90","","90","","3085.3","0.3","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","bis(guanidinium)-1,4-benzenedisulfonate, o-xylene clathrate","","","- C12 H18 N3 O3 S -","- C12 H18 N3 O3 S -","- C96 H144 N24 O24 S8 -","8","1","","K. Travis Holman; Stephen M. Martin; Daniel P. Parker; Michael D. Ward","The Generality of Architectural Isomerism in Designer Inclusion Frameworks","Journal of the American Chemical Society","2001","123","","4421","4431","10.1021/ja0030257","","","0.71073","MoKα","","0.0608","0.0424","","","0.1201","0.1276","","","","","","1.081","","","","has coordinates","178926","2020-10-21","18:00:00","" "4115503","13.36","0.001","12.6471","0.001","18.1682","0.0014","90","","90","","90","","3069.8","0.4","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","bis(guanidinium)-1,4-benzenedisulfonate, naphthalene clathrate","","","- C14 H16 N3 O3 S -","- C14 H16 N3 O3 S -","- C112 H128 N24 O24 S8 -","8","1","","K. Travis Holman; Stephen M. Martin; Daniel P. Parker; Michael D. Ward","The Generality of Architectural Isomerism in Designer Inclusion Frameworks","Journal of the American Chemical Society","2001","123","","4421","4431","10.1021/ja0030257","","","0.71073","MoKα","","0.055","0.0326","","","0.0795","0.0851","","","","","","1.026","","","","has coordinates","178926","2020-10-21","18:00:00","" "4115504","6.2166","0.0003","7.1847","0.0004","13.1213","0.0007","74.725","0.001","83.331","0.001","85.826","0.001","560.98","0.05","173","2","173","2","","","","","","","","5","P -1","-P 1","2","bis(guanidinium)-2,6-naphthalenedisulfonate, benzene clathrate","","","- C9 H12 N3 O3 S -","- C9 H12 N3 O3 S -","- C18 H24 N6 O6 S2 -","2","1","","K. Travis Holman; Stephen M. Martin; Daniel P. Parker; Michael D. Ward","The Generality of Architectural Isomerism in Designer Inclusion Frameworks","Journal of the American Chemical Society","2001","123","","4421","4431","10.1021/ja0030257","","","0.7107","MoKα","","0.0395","0.0338","","","0.0882","0.0908","","","","","","1.037","","","","has coordinates","178926","2020-10-21","18:00:00","" "4115505","7.2609","0.0009","7.4075","0.0009","13.1537","0.0016","89.189","0.002","77.186","0.002","62.193","0.002","606.91","0.13","173","2","173","2","","","","","","","","5","P -1","-P 1","2","bis(guanidinium)-2,6-naphthalenedisulfonate, benzene clathrate","","","- C10 H14 N3 O3 S -","- C10 H14 N3 O3 S -","- C20 H28 N6 O6 S2 -","2","1","","K. Travis Holman; Stephen M. Martin; Daniel P. Parker; Michael D. Ward","The Generality of Architectural Isomerism in Designer Inclusion Frameworks","Journal of the American Chemical Society","2001","123","","4421","4431","10.1021/ja0030257","","","0.71073","MoKα","","0.0414","0.0343","","","0.0941","0.098","","","","","","1.075","","","","has coordinates","178926","2020-10-21","18:00:00","" "4115506","7.5334","0.0006","12.2651","0.0009","20.6209","0.0016","90","","96.645","0.001","90","","1892.5","0.3","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","bis(guanidinium)-2,6-naphthalenedisulfonate, o-xylene clathrate","","","- C18 H24 N3 O3 S -","- C18 H24 N3 O3 S -","- C72 H96 N12 O12 S4 -","4","1","","K. Travis Holman; Stephen M. Martin; Daniel P. Parker; Michael D. Ward","The Generality of Architectural Isomerism in Designer Inclusion Frameworks","Journal of the American Chemical Society","2001","123","","4421","4431","10.1021/ja0030257","","","0.71073","MoKα","","0.0516","0.0403","","","0.111","0.1167","","","","","","1.022","","","","has coordinates,has disorder","178926","2020-10-21","18:00:00","" "4115507","13.3756","0.0003","12.4586","0.0003","22.304","0.0005","90","","90","","90","","3716.77","0.15","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","bis(guanidinium)-2,6-naphthalenedisulfonate, 1-methylnaphthalene clathrate","","","- C17 H19 N3 O3 S -","- C17 H19 N3 O3 S -","- C136 H152 N24 O24 S8 -","8","1","","K. Travis Holman; Stephen M. Martin; Daniel P. Parker; Michael D. Ward","The Generality of Architectural Isomerism in Designer Inclusion Frameworks","Journal of the American Chemical Society","2001","123","","4421","4431","10.1021/ja0030257","","","0.7107","MoKα","","0.0758","0.0568","","","0.1569","0.1709","","","","","","1.047","","","","has coordinates,has disorder","178926","2020-10-21","18:00:00","" "4115508","13.4471","0.0004","12.1155","0.0004","23.9856","0.0007","90","","90","","90","","3907.7","0.2","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","bis(guanidinium)-2,6-naphthalenedisulfonate, pyrene clathrate","","","- C22 H19 N3 O3 S -","- C22 H19 N3 O3 S -","- C176 H152 N24 O24 S8 -","8","1","","K. Travis Holman; Stephen M. Martin; Daniel P. Parker; Michael D. Ward","The Generality of Architectural Isomerism in Designer Inclusion Frameworks","Journal of the American Chemical Society","2001","123","","4421","4431","10.1021/ja0030257","","","0.7107","MoKα","","0.0545","0.0371","","","0.0869","0.0927","","","","","","1.019","","","","has coordinates","178926","2020-10-21","18:00:00","" "4115509","13.6864","0.0007","12.4544","0.0007","26.4727","0.0014","90","","90","","90","","4512.4","0.4","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","bis(guanidinium)-4,4'-biphenyldisulfonate, perylene clathrate","","","- C54 H44 N6 O6 S2 -","- C54 H44 N6 O6 S2 -","- C216 H176 N24 O24 S8 -","4","0.5","","K. Travis Holman; Stephen M. Martin; Daniel P. Parker; Michael D. Ward","The Generality of Architectural Isomerism in Designer Inclusion Frameworks","Journal of the American Chemical Society","2001","123","","4421","4431","10.1021/ja0030257","","","0.71073","MoKα","","0.0773","0.0422","","","0.1054","0.1155","","","","","","1.021","","","","has coordinates","178926","2020-10-21","18:00:00","" "4115510","6.2024","0.0004","7.1901","0.0005","15.1836","0.001","80.859","0.001","82.235","0.001","85.208","0.001","661.06","0.08","173","2","173","2","","","","","","","","5","P -1","-P 1","2","bis(guanidinium) 2,6-anthracenedisulfonate, p-xylene clathrate","","","- C12 H15 N3 O3 S -","- C12 H15 N3 O3 S -","- C24 H30 N6 O6 S2 -","2","1","","K. Travis Holman; Stephen M. Martin; Daniel P. Parker; Michael D. Ward","The Generality of Architectural Isomerism in Designer Inclusion Frameworks","Journal of the American Chemical Society","2001","123","","4421","4431","10.1021/ja0030257","","","0.71073","MoKα","","0.0433","0.0363","","","0.0964","0.0998","","","","","","1.07","","","","has coordinates","178926","2020-10-21","18:00:00","" "4115511","6.2001","0.0005","7.3015","0.0006","15.145","0.0013","103.134","0.002","94.777","0.001","93.607","0.002","662.99","0.1","173","2","173","2","","","","","","","","5","P -1","-P 1","2","bis(guanidinium)-2,6-anthracenedisulfonate, o-xylene clathrate","","","- C12 H15 N3 O3 S -","- C12 H15 N3 O3 S -","- C24 H30 N6 O6 S2 -","2","1","","K. Travis Holman; Stephen M. Martin; Daniel P. Parker; Michael D. Ward","The Generality of Architectural Isomerism in Designer Inclusion Frameworks","Journal of the American Chemical Society","2001","123","","4421","4431","10.1021/ja0030257","","","0.71073","MoKα","","0.0469","0.0381","","","0.1008","0.1047","","","","","","1.064","","","","has coordinates","178926","2020-10-21","18:00:00","" "4115512","7.4472","0.001","9.8732","0.0013","20.756","0.003","90","","94.601","0.003","90","","1521.2","0.4","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","bis(guanidinium) 2,6-anthracenedisulfonate, pyrene clathrate","","","- C16 H15 N3 O3 S -","- C16 H15 N3 O3 S -","- C64 H60 N12 O12 S4 -","4","1","","K. Travis Holman; Stephen M. Martin; Daniel P. Parker; Michael D. Ward","The Generality of Architectural Isomerism in Designer Inclusion Frameworks","Journal of the American Chemical Society","2001","123","","4421","4431","10.1021/ja0030257","","","0.7107","MoKα","","0.0679","0.0413","","","0.0967","0.104","","","","","","0.905","","","","has coordinates","178926","2020-10-21","18:00:00","" "4115513","7.4697","0.0008","26.627","0.003","11.8358","0.0012","90","","92.1","0.002","90","","2352.5","0.4","173","2","173","2","","","","","","","","5","P 1 n 1","P -2yac","7","bis(guanidinium) 2,6-anthracenedisulfonate, biphenyl clathrate","","","- C52 H50 N6 O6 S2 -","- C52 H50 N6 O6 S2 -","- C104 H100 N12 O12 S4 -","2","1","","K. Travis Holman; Stephen M. Martin; Daniel P. Parker; Michael D. Ward","The Generality of Architectural Isomerism in Designer Inclusion Frameworks","Journal of the American Chemical Society","2001","123","","4421","4431","10.1021/ja0030257","","","0.7107","MoKα","","0.0924","0.0457","","","0.0702","0.0785","","","","","","0.812","","","","has coordinates","201982","2020-10-21","18:00:00","" "4115514","13.7891","0.0012","12.3034","0.001","26.784","0.002","90","","90","","90","","4544","0.6","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","bis(guanidinium) 2,6-anthracenedisulfonate, perylene clathrate","","","- C28 H22 N3 O3 S -","- C28 H22 N3 O3 S -","- C224 H176 N24 O24 S8 -","8","1","","K. Travis Holman; Stephen M. Martin; Daniel P. Parker; Michael D. Ward","The Generality of Architectural Isomerism in Designer Inclusion Frameworks","Journal of the American Chemical Society","2001","123","","4421","4431","10.1021/ja0030257","","","0.7107","MoKα","","0.0917","0.0439","","","0.0898","0.0998","","","","","","0.864","","","","has coordinates","178926","2020-10-21","18:00:00","" "4115515","12.6576","0.0012","42.116","0.004","11.5962","0.0011","90","","90","","90","","6181.8","1","173","2","173","2","","","","","","","","5","P n a 21","P 2c -2n","33","bis(guanidinium) 1,8-octanedisulfonate","","","- C10 H28 N6 O6 S2 -","- C10 H28 N6 O6 S2 -","- C120 H336 N72 O72 S24 -","12","3","","K. Travis Holman; Stephen M. Martin; Daniel P. Parker; Michael D. Ward","The Generality of Architectural Isomerism in Designer Inclusion Frameworks","Journal of the American Chemical Society","2001","123","","4421","4431","10.1021/ja0030257","","","0.71073","MoKα","","0.0947","0.0541","","","0.131","0.1455","","","","","","1.018","","","","has coordinates","201982","2020-10-21","18:00:00","" "4115516","14.426","0.0011","7.4303","0.0006","22.4383","0.0017","90","","90","","90","","2405.2","0.3","173","2","173","2","","","","","","","","5","P n m a","-P 2ac 2n","62","bis(guanidinium) 1,8-octanedisulfonate, hexane clathrate","","","- C16 H42 N6 O6 S2 -","- C13.86 H12 N6 O6 S2 -","- C55.44 H48 N24 O24 S8 -","4","0.5","","K. Travis Holman; Stephen M. Martin; Daniel P. Parker; Michael D. Ward","The Generality of Architectural Isomerism in Designer Inclusion Frameworks","Journal of the American Chemical Society","2001","123","","4421","4431","10.1021/ja0030257","","","0.71073","MoKα","","0.0967","0.0666","","","0.2163","0.2372","","","","","","1.075","","","","has coordinates,has disorder","178926","2020-10-21","18:00:00","" "4115517","7.5011","0.0009","12.0916","0.0018","29.989","0.004","84.585","0.011","86.477","0.009","89.229","0.01","2702.7","0.6","173","2","173","2","","","","","","","","5","P -1","-P 1","2","bis(guanidinium) 4,4'-diphenyletherdisulfonate, toluene clathrate","","","- C21 H28 N6 O7 S2 -","- C21 H28 N6 O7 S2 -","- C84 H112 N24 O28 S8 -","4","2","","K. Travis Holman; Stephen M. Martin; Daniel P. Parker; Michael D. Ward","The Generality of Architectural Isomerism in Designer Inclusion Frameworks","Journal of the American Chemical Society","2001","123","","4421","4431","10.1021/ja0030257","","","0.71073","MoKα","","0.1195","0.0511","","","0.1035","0.1156","","","","","","0.877","","","","has coordinates","201982","2020-10-21","18:00:00","" "4115518","7.4659","0.0004","13.7874","0.0008","29.0841","0.0016","90","","90","","90","","2993.8","0.3","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","bis(guanidinium) 4,4'-diphenyletherdisulfonate, acetonitrile clathrate","","","- C20 H29 N9 O7 S2 -","- C20 H29 N9 O7 S2 -","- C80 H116 N36 O28 S8 -","4","1","","K. Travis Holman; Stephen M. Martin; Daniel P. Parker; Michael D. Ward","The Generality of Architectural Isomerism in Designer Inclusion Frameworks","Journal of the American Chemical Society","2001","123","","4421","4431","10.1021/ja0030257","","","0.71073","MoKα","","0.0668","0.0564","","","0.1453","0.1493","","","","","","1.098","","","","has coordinates","201982","2020-10-21","18:00:00","" "4115519","7.5839","0.0004","14.228","0.0008","27.7485","0.0016","90","","90","","90","","2994.2","0.3","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","bis(guanidinium) 4,4'-diphenyletherdisulfonate, mesitylene, methanol clathrate","","","- C24 H36 N6 O8 S2 -","- C24 H36 N6 O8 S2 -","- C96 H144 N24 O32 S8 -","4","1","","K. Travis Holman; Stephen M. Martin; Daniel P. Parker; Michael D. Ward","The Generality of Architectural Isomerism in Designer Inclusion Frameworks","Journal of the American Chemical Society","2001","123","","4421","4431","10.1021/ja0030257","","","0.71073","MoKα","","0.0553","0.0408","","","0.1044","0.1095","","","","","","1.05","","","","has coordinates","201982","2020-10-21","18:00:00","" "4115520","7.5013","0.001","20.576","0.003","15.796","0.002","90","","90","","90","","2438.1","0.6","173","2","173","2","","","","","","","","5","C m c 21","C 2c -2","36","bis(guanidinium) mesitylenedisulfonate, aceteone and methanol clathrate","","","- C15 H32 N6 O8 S2 -","- C15 H32 N6 O8 S2 -","- C60 H128 N24 O32 S8 -","4","0.5","","K. Travis Holman; Stephen M. Martin; Daniel P. Parker; Michael D. Ward","The Generality of Architectural Isomerism in Designer Inclusion Frameworks","Journal of the American Chemical Society","2001","123","","4421","4431","10.1021/ja0030257","","","0.71073","MoKα","","0.0342","0.0317","","","0.0823","0.0833","","","","","","1.098","","","","has coordinates","178926","2020-10-21","18:00:00","" "4115521","21.1037","0.0008","7.5867","0.0004","19.3182","0.0008","90","","90","","90","","3093","0.2","173","2","173","2","","","","","","","","5","P n m a","-P 2ac 2n","62","bis(guanidinium) 2-methoxy-4,6-dimethyl-1,5-benzenedisulfonate, tetrahydrofuran clathrate","","","- C9.5 H19 N3 O4.5 S -","- C9.5 H19 N3 O4.5 S -","- C76 H152 N24 O36 S8 -","8","1","","K. Travis Holman; Stephen M. Martin; Daniel P. Parker; Michael D. Ward","The Generality of Architectural Isomerism in Designer Inclusion Frameworks","Journal of the American Chemical Society","2001","123","","4421","4431","10.1021/ja0030257","","","0.71073","MoKα","","0.1901","0.0967","","","0.2432","0.2827","","","","","","1.012","","","","has coordinates","176467","2020-10-21","18:00:00","" "4115522","24.365","0.003","28.629","0.004","15.257","0.001","90","","90","","90","","10642","2","293","2","293","2","","","","","","","","4","F d d d :2","-F 2uv 2vw","70","","","","- C29 H24 N4 O9 -","- C29 H24 N4 O9 -","- C464 H384 N64 O144 -","16","0.5","","Ram Thaimattam; Feng Xue; Jagarlapudi A. R. P. Sarma; Thomas C. W. Mak; Gautam R. Desiraju","Inclusion Compounds of Tetrakis(4-nitrophenyl)methane: C-H...O Networks, Pseudopolymorphism, and Structural Transformations","Journal of the American Chemical Society","2001","123","","4432","4445","10.1021/ja0031826","","","0.71073","MoKα","","0.0881","0.0689","","","0.1821","0.1969","","","","","","1.163","","","","has coordinates","178926","2020-10-21","18:00:00","" "4115523","13.139","0.006","13.139","0.006","23.087","0.013","90","","90","","90","","3986","3","294","2","294","2","","","","","","","","4","P 42/n :2","-P 4bc","86","","","","- C39.5 H28 N6 O13 -","- C39.5 H28 N6 O13 -","- C158 H112 N24 O52 -","4","0.5","","Ram Thaimattam; Feng Xue; Jagarlapudi A. R. P. Sarma; Thomas C. W. Mak; Gautam R. Desiraju","Inclusion Compounds of Tetrakis(4-nitrophenyl)methane: C-H...O Networks, Pseudopolymorphism, and Structural Transformations","Journal of the American Chemical Society","2001","123","","4432","4445","10.1021/ja0031826","","","0.71073","MoKα","","0.2288","0.1463","","","0.4051","0.4464","","","","","","1.335","","","","has coordinates","176467","2020-10-21","18:00:00","" "4115524","13.055","0.0018","13.055","0.0018","22.754","0.005","90","","90","","90","","3878","1.1","293","2","293","2","","","","","","","","4","P 42/n :2","-P 4bc","86","","","","- C29 H19.33 N4.67 O9.33 -","- C29 H19.3333 N4.66667 O9.33333 -","- C174 H116 N28 O56 -","6","0.75","","Ram Thaimattam; Feng Xue; Jagarlapudi A. R. P. Sarma; Thomas C. W. Mak; Gautam R. Desiraju","Inclusion Compounds of Tetrakis(4-nitrophenyl)methane: C-H...O Networks, Pseudopolymorphism, and Structural Transformations","Journal of the American Chemical Society","2001","123","","4432","4445","10.1021/ja0031826","","","0.71073","MoKα","","0.1339","0.0565","","","0.1046","0.1451","","","","","","1.047","","","","has coordinates","178926","2020-10-21","18:00:00","" "4115525","18.34","0.002","15.68","0.002","18.216","0.002","90","","90","","90","","5238.4","1.1","293","2","293","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C57 H39 Br N8 O17 -","- C56 H36 Br N8 O17 -","- C224 H144 Br4 N32 O68 -","4","0.5","","Ram Thaimattam; Feng Xue; Jagarlapudi A. R. P. Sarma; Thomas C. W. Mak; Gautam R. Desiraju","Inclusion Compounds of Tetrakis(4-nitrophenyl)methane: C-H...O Networks, Pseudopolymorphism, and Structural Transformations","Journal of the American Chemical Society","2001","123","","4432","4445","10.1021/ja0031826","","","0.71073","MoKα","","0.2805","0.0651","","","0.1732","0.2389","","","","","","0.904","","","","has coordinates,has disorder","178926","2020-10-21","18:00:00","" "4115526","18.236","0.002","15.685","0.001","18.191","0.001","90","","90","","90","","5203.2","0.7","294","2","294","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C28.5 H20 N4 O8.5 -","- C28.5 H18 N4 O8.5 -","- C228 H144 N32 O68 -","8","1","","Ram Thaimattam; Feng Xue; Jagarlapudi A. R. P. Sarma; Thomas C. W. Mak; Gautam R. Desiraju","Inclusion Compounds of Tetrakis(4-nitrophenyl)methane: C-H...O Networks, Pseudopolymorphism, and Structural Transformations","Journal of the American Chemical Society","2001","123","","4432","4445","10.1021/ja0031826","","","0.71073","MoKα","","0.1113","0.0792","","","0.1711","0.1884","","","","","","1.218","","","","has coordinates","176467","2020-10-21","18:00:00","" "4115527","18.257","0.004","15.668","0.003","18.333","0.004","90","","90","","90","","5244.2","1.9","294","2","294","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C29 H21 N4 O8.5 -","- C29 H21 N4 O8.5 -","- C232 H168 N32 O68 -","8","1","","Ram Thaimattam; Feng Xue; Jagarlapudi A. R. P. Sarma; Thomas C. W. Mak; Gautam R. Desiraju","Inclusion Compounds of Tetrakis(4-nitrophenyl)methane: C-H...O Networks, Pseudopolymorphism, and Structural Transformations","Journal of the American Chemical Society","2001","123","","4432","4445","10.1021/ja0031826","","","0.71073","MoKα","","0.2195","0.0775","","","0.2171","0.2392","","","","","","0.99","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00","" "4115528","18.246","0.004","15.668","0.003","18.237","0.004","90","","90","","90","","5213.6","1.9","293","2","293","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C29 H21 N4 O8 -","- C29 H21 N4 O8 -","- C232 H168 N32 O64 -","8","1","","Ram Thaimattam; Feng Xue; Jagarlapudi A. R. P. Sarma; Thomas C. W. Mak; Gautam R. Desiraju","Inclusion Compounds of Tetrakis(4-nitrophenyl)methane: C-H...O Networks, Pseudopolymorphism, and Structural Transformations","Journal of the American Chemical Society","2001","123","","4432","4445","10.1021/ja0031826","","","0.71073","MoKα","","0.172","0.055","","","0.1343","0.2","","","","","","1.306","","","","has coordinates","178926","2020-10-21","18:00:00","" "4115529","18.228","0.004","15.645","0.003","18.205","0.004","90","","90","","90","","5191.6","1.9","293","2","293","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C56 H36 Cl N8 O16 -","- C56 H36 Cl N8 O16 -","- C224 H144 Cl4 N32 O64 -","4","0.5","","Ram Thaimattam; Feng Xue; Jagarlapudi A. R. P. Sarma; Thomas C. W. Mak; Gautam R. Desiraju","Inclusion Compounds of Tetrakis(4-nitrophenyl)methane: C-H...O Networks, Pseudopolymorphism, and Structural Transformations","Journal of the American Chemical Society","2001","123","","4432","4445","10.1021/ja0031826","","","0.71073","MoKα","","0.1395","0.0605","","","0.1629","0.2103","","","","","","1.153","","","","has coordinates","178926","2020-10-21","18:00:00","" "4115530","22.276","0.001","22.276","0.001","25.348","0.001","90","","90","","120","","10893","0.8","293","2","293","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C25.33333 H16.33333 Cl N4 O8 -","- C25.3333 H16.3333 Cl N4 O8 -","- C456 H294 Cl18 N72 O144 -","18","1","","Ram Thaimattam; Feng Xue; Jagarlapudi A. R. P. Sarma; Thomas C. W. Mak; Gautam R. Desiraju","Inclusion Compounds of Tetrakis(4-nitrophenyl)methane: C-H...O Networks, Pseudopolymorphism, and Structural Transformations","Journal of the American Chemical Society","2001","123","","4432","4445","10.1021/ja0031826","","","0.71073","MoKα","","0.1455","0.0483","","0.1616","0.1331","","","","1.036","1.284","1.284","","","","","has coordinates","259535","2020-12-04","06:05:01","" "4115531","15.437","0.002","15.437","0.002","15.437","0.002","93.02","0.01","93.02","0.01","93.02","0.01","3662.8","0.8","293","2","293","2","","","","","","","","5","R -3 :R","-P 3*","148","","","","- C25.33333 H16.33333 Br N4 O8 -","- C25.3333 H16.3333 Br N4 O8 -","- C152 H98 Br6 N24 O48 -","6","1","","Ram Thaimattam; Feng Xue; Jagarlapudi A. R. P. Sarma; Thomas C. W. Mak; Gautam R. Desiraju","Inclusion Compounds of Tetrakis(4-nitrophenyl)methane: C-H...O Networks, Pseudopolymorphism, and Structural Transformations","Journal of the American Chemical Society","2001","123","","4432","4445","10.1021/ja0031826","","","0.71073","MoKα","","0.1067","0.0704","","","0.1301","0.1434","","","","","","1.228","","","","has coordinates","259535","2020-12-04","06:05:01","" "4115532","15.427","0.002","15.427","0.002","15.427","0.002","91.73","0.01","91.73","0.01","91.73","0.01","3666.4","0.8","293","2","293","2","","","","","","","","4","R -3 :R","-P 3*","148","","","","- C26 H18.33 N4.33 O8.33 -","- C26 H18.34 N4.33333 O8.33333 -","- C156 H110.04 N26 O50 -","6","1","","Ram Thaimattam; Feng Xue; Jagarlapudi A. R. P. Sarma; Thomas C. W. Mak; Gautam R. Desiraju","Inclusion Compounds of Tetrakis(4-nitrophenyl)methane: C-H...O Networks, Pseudopolymorphism, and Structural Transformations","Journal of the American Chemical Society","2001","123","","4432","4445","10.1021/ja0031826","","","0.71073","MoKα","","0.0886","0.0696","","","0.1707","0.1835","","","","","","1.173","","","","has coordinates","178926","2020-10-21","18:00:00","" "4115533","9.968","0.001","13.147","0.001","15.747","0.001","72.4","0.01","80.83","0.01","88.49","0.01","1941.4","0.3","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C43 H40 N4 O8 -","- C43 H40 N4 O8 -","- C86 H80 N8 O16 -","2","1","","Ram Thaimattam; Feng Xue; Jagarlapudi A. R. P. Sarma; Thomas C. W. Mak; Gautam R. Desiraju","Inclusion Compounds of Tetrakis(4-nitrophenyl)methane: C-H...O Networks, Pseudopolymorphism, and Structural Transformations","Journal of the American Chemical Society","2001","123","","4432","4445","10.1021/ja0031826","","","0.71073","MoKα","","0.087","0.0711","","","0.1981","0.2139","","","","","","1.109","","","","has coordinates","178926","2020-10-21","18:00:00","" "4115534","10.9385","0.0006","10.9385","0.0006","15.9633","0.0012","90","","90","","90","","1910","0.2","294","2","294","2","","","","","","","","4","P -4 21 c","P -4 2n","114","","","","- C33 H27 N5 O8 -","- C33 H18 N5 O8 -","- C66 H36 N10 O16 -","2","0.25","","Ram Thaimattam; Feng Xue; Jagarlapudi A. R. P. Sarma; Thomas C. W. Mak; Gautam R. Desiraju","Inclusion Compounds of Tetrakis(4-nitrophenyl)methane: C-H...O Networks, Pseudopolymorphism, and Structural Transformations","Journal of the American Chemical Society","2001","123","","4432","4445","10.1021/ja0031826","","","0.71073","MoKα","","0.1272","0.1071","","","0.2829","0.2888","","","","","","1.946","","","","has coordinates,has disorder","178926","2020-10-21","18:00:00","" "4115535","18.642","0.003","18.706","0.004","34.164","0.006","90","","97.36","0.05","90","","11815","4","294","2","294","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C33 H26 N4 O8 -","- C33 H26 N4 O8 -","- C528 H416 N64 O128 -","16","2","","Ram Thaimattam; Feng Xue; Jagarlapudi A. R. P. Sarma; Thomas C. W. Mak; Gautam R. Desiraju","Inclusion Compounds of Tetrakis(4-nitrophenyl)methane: C-H...O Networks, Pseudopolymorphism, and Structural Transformations","Journal of the American Chemical Society","2001","123","","4432","4445","10.1021/ja0031826","","","0.71073","MoKα","","0.2244","0.0759","","","0.2183","0.2484","","","","","","0.919","","","","has coordinates","178926","2020-10-21","18:00:00","" "4115536","9.886","0.001","37.5","0.004","6.5844","0.0007","90","","90","","90","","2441","0.4","212.8","","","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C26 H44 O5 -","- C26 H44 O5 -","- C104 H176 O20 -","4","1","","Kazuki Sada; Michihiro Sugahara; Kazuaki Kato; Mikiji Miyata","Controlled Expansion of a Molecular Cavity in a Steroid Host Compound","Journal of the American Chemical Society","2001","123","","4386","4392","10.1021/ja0038528","","","0.7107","MoKα","","","0.0666","","","","0.1154","","","","","","1.553","","","","has coordinates","176467","2020-10-21","18:00:00","" "4115537","17.829","0.01","18.906","0.004","8.282","0.001","90","","90","","90","","2791.7","1.7","288.2","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C28 H47 N O5 -","- C28 H47 N O5 -","- C112 H188 N4 O20 -","4","1","","Kazuki Sada; Michihiro Sugahara; Kazuaki Kato; Mikiji Miyata","Controlled Expansion of a Molecular Cavity in a Steroid Host Compound","Journal of the American Chemical Society","2001","123","","4386","4392","10.1021/ja0038528","","","0.7107","MoKα","","","0.0599","","","","0.1553","","","","","","1.3","","","","has coordinates","176467","2020-10-21","18:00:00","" "4115538","17.772","0.003","19.183","0.003","8.406","0.001","90","","90","","90","","2865.8","0.7","288.2","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C29 H47 N O5 -","- C28 H46 N O5 -","- C112 H184 N4 O20 -","4","1","","Kazuki Sada; Michihiro Sugahara; Kazuaki Kato; Mikiji Miyata","Controlled Expansion of a Molecular Cavity in a Steroid Host Compound","Journal of the American Chemical Society","2001","123","","4386","4392","10.1021/ja0038528","","","0.7107","MoKα","","","0.1147","","","","0.2602","","","","","","2.199","","","","has coordinates","201982","2020-10-21","18:00:00","" "4115539","14.718","0.003","26.601","0.005","8.294","0.001","90","","90","","90","","3247.2","1","212.7","","","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C34 H52 O6 -","- C34 H52 O6 -","- C136 H208 O24 -","4","1","","Kazuki Sada; Michihiro Sugahara; Kazuaki Kato; Mikiji Miyata","Controlled Expansion of a Molecular Cavity in a Steroid Host Compound","Journal of the American Chemical Society","2001","123","","4386","4392","10.1021/ja0038528","","","0.7107","MoKα","","","0.0852","","","","0.229","","","","","","1.217","","","","has coordinates","176467","2020-10-21","18:00:00","" "4115540","14.101","0.002","8.036","0.002","15.75","0.01","90","","114.144","0.004","90","","1628.6","1.1","213.2","","","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C36 H52 O6 -","- C36 H55 O6 -","- C72 H110 O12 -","2","1","","Kazuki Sada; Michihiro Sugahara; Kazuaki Kato; Mikiji Miyata","Controlled Expansion of a Molecular Cavity in a Steroid Host Compound","Journal of the American Chemical Society","2001","123","","4386","4392","10.1021/ja0038528","","","0.7107","MoKα","","","0.1013","","","","0.2499","","","","","","1.403","","","","has coordinates","176467","2020-10-21","18:00:00","" "4115541","14.02","0.01","7.933","0.002","15.804","0.004","90","","109.07","0.05","90","","1661.3","1.4","209.8","","","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C37 H54 O5 -","- C37 H54 O5 -","- C74 H108 O10 -","2","1","","Kazuki Sada; Michihiro Sugahara; Kazuaki Kato; Mikiji Miyata","Controlled Expansion of a Molecular Cavity in a Steroid Host Compound","Journal of the American Chemical Society","2001","123","","4386","4392","10.1021/ja0038528","","","0.7107","MoKα","","","0","","","","0.1896","","","","","","1.416","","","","has coordinates","176467","2020-10-21","18:00:00","" "4115542","12.4478","0.0004","19.9561","0.0006","17.2865","0.0005","90","","110.752","0.001","90","","4015.5","0.2","293","2","188","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","[Fe(O2CarTol)2(tmeda)]","","","- C48 H50 Fe N2 O4 -","- C48 H50 Fe N2 O4 -","- C192 H200 Fe4 N8 O16 -","4","1","","Dongwhan Lee; Stephen J. Lippard","Oxidative N-Dealkylation of a Carboxylate-Bridged Diiron(II) Precursor Complex by Reaction with O2 Affords the Elusive {Fe2(μ-OH)2(μ-O2CR)}3+ Core of Soluble Methane Monooxygenase Hydroxylase","Journal of the American Chemical Society","2001","123","","4611","4612","10.1021/ja0100930","","","0.71073","MoKα","","0.0679","0.0406","","","0.0926","0.102","","","","","","1.024","","","","has coordinates,has disorder","178926","2020-10-21","18:00:00","" "4115543","11.6032","0.0003","14.0661","0.0002","15.2839","0.0004","101.305","0.001","108.13","0.001","108.161","0.001","2130.68","0.09","293","2","188","2","","","","","","","","6","P -1","-P 1","2","[Fe2(m-O2CArTol)2(O2CArTol)2(N,N-Me2en)2]","","","- C94 H92 Cl4 Fe2 N4 O8 -","- C94 H92 Cl3.844 Fe2 N4 O8 -","- C94 H92 Cl3.844 Fe2 N4 O8 -","1","0.5","","Dongwhan Lee; Stephen J. Lippard","Oxidative N-Dealkylation of a Carboxylate-Bridged Diiron(II) Precursor Complex by Reaction with O2 Affords the Elusive {Fe2(μ-OH)2(μ-O2CR)}3+ Core of Soluble Methane Monooxygenase Hydroxylase","Journal of the American Chemical Society","2001","123","","4611","4612","10.1021/ja0100930","","","0.71073","MoKα","","0.0566","0.0413","","","0.1042","0.112","","","","","","1.015","","","","has coordinates","178926","2020-10-21","18:00:00","" "4115544","11.3953","0.0005","14.7207","0.0007","15.2957","0.0007","77.836","0.001","72.173","0.001","82.162","0.001","2380.64","0.19","188","2","188","2","","","","","","","","5","P -1","-P 1","2","[Fe2(m-O2CArTol)2(O2CArTol)2(N,N-Bn2en)2]","","","- C116 H104 Fe2 N4 O8 -","- C116 H104 Fe2 N4 O8 -","- C116 H104 Fe2 N4 O8 -","1","0.5","","Dongwhan Lee; Stephen J. Lippard","Oxidative N-Dealkylation of a Carboxylate-Bridged Diiron(II) Precursor Complex by Reaction with O2 Affords the Elusive {Fe2(μ-OH)2(μ-O2CR)}3+ Core of Soluble Methane Monooxygenase Hydroxylase","Journal of the American Chemical Society","2001","123","","4611","4612","10.1021/ja0100930","","","0.71073","MoKα","","0.1258","0.0553","","","0.1184","0.1447","","","","","","0.917","","","","has coordinates,has disorder","178926","2020-10-21","18:00:00","" "4115545","15.0043","0.0018","16.907","0.002","24.019","0.003","95.57","0.002","108.017","0.002","104.939","0.002","5493.9","1.2","188","2","188","2","","","","","","","","6","P -1","-P 1","2","[Fe2(m-OH)2(m-O2CArTol)(O2CArTol)3(N-Bnen)(N,N-Bn2en)]","","","- C123.5 H109 Cl2 Fe2 N4 O10 -","- C123.5 H109 Cl2 Fe2 N4 O10 -","- C247 H218 Cl4 Fe4 N8 O20 -","2","1","","Dongwhan Lee; Stephen J. Lippard","Oxidative N-Dealkylation of a Carboxylate-Bridged Diiron(II) Precursor Complex by Reaction with O2 Affords the Elusive {Fe2(μ-OH)2(μ-O2CR)}3+ Core of Soluble Methane Monooxygenase Hydroxylase","Journal of the American Chemical Society","2001","123","","4611","4612","10.1021/ja0100930","","","0.71073","MoKα","","0.0845","0.0546","","","0.157","0.179","","","","","","0.977","","","","has coordinates","176467","2020-10-21","18:00:00","" "4115546","13.1394","0.0001","23.1711","0.0003","5.6267","0.0001","90","","90","","90","","1713.07","0.04","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C17 H25 N O5 -","- C17 H25 N O5 -","- C68 H100 N4 O20 -","4","1","","Bo Liang; David J. Richard; Padma S. Portonovo; Madeleine M. Joullié","Total Syntheses and Biological Investigations of Tamandarins A and B and Tamandarin A Analogs","Journal of the American Chemical Society","2001","123","","4469","4474","10.1021/ja010222c","","","0.71069","MoKα","","0.0392","0.0358","","0.0835","0.0814","","","","1.044","1.051","1.051","","","","","has coordinates","178926","2020-10-21","18:00:00","" "4115547","12.7757","0.0003","22.5429","0.0005","5.7753","0.0001","90","","90","","90","","1663.29","0.06","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H23 N O5 -","- C16 H23 N O5 -","- C64 H92 N4 O20 -","4","1","","Bo Liang; David J. Richard; Padma S. Portonovo; Madeleine M. Joullié","Total Syntheses and Biological Investigations of Tamandarins A and B and Tamandarin A Analogs","Journal of the American Chemical Society","2001","123","","4469","4474","10.1021/ja010222c","","","0.71069","MoKα","","0.051","0.0456","","0.1078","0.1038","","","","1.163","1.168","1.168","","","","","has coordinates","178926","2020-10-21","18:00:00","" "4115548","11.5479","0.0014","5.9499","0.0007","14.0742","0.0011","90","","110.759","0.007","90","","904.24","0.17","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C16 H28 N2 O5 -","- C16 H28 N2 O5 -","- C32 H56 N4 O10 -","2","1","","Bo Liang; David J. Richard; Padma S. Portonovo; Madeleine M. Joullié","Total Syntheses and Biological Investigations of Tamandarins A and B and Tamandarin A Analogs","Journal of the American Chemical Society","2001","123","","4469","4474","10.1021/ja010222c","","","0.71069","MoKα","","0.0631","0.0574","","0.1426","0.1364","","","","1.152","1.158","1.158","","","","","has coordinates","178926","2020-10-21","18:00:00","" "4115549","18.549","0.006","5.323","0.002","13.214","0.004","90","","108.631","0.005","90","","1236.3","0.7","288.2","","","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C24 F14 S6 -","- C24 F14 S6 -","- C48 F28 S12 -","2","0.5","","Youichi Sakamoto; Shingo Komatsu; Toshiyasu Suzuki","Tetradecafluorosexithiophene: The First Perfluorinated Oligothiophene","Journal of the American Chemical Society","2001","123","","4643","4644","10.1021/ja015712j","","","0.7107","MoKα","","","0.06","","","","0.1729","","","","","","0.892","","","","has coordinates","176467","2020-10-21","18:00:00","" "4115550","8.774","0.002","11.073","0.003","11.469","0.003","72.3","0.003","68.293","0.003","71.564","0.003","959.7","0.4","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","8,8-Di(methoxymethyl)-2,5,10,10-tetramethyltricyclo[4.3.2.0]undeca-1(6)-ene -3,4-dicarboximide","","- C21 H31 N O4 -","- C21 H31 N O4 -","- C42 H62 N2 O8 -","2","1","","Toshihiro Nishikawa; Hirotada Kakiya; Hiroshi Shinokubo; Koichiro Oshima","Novel [2 + 2 + 2] Annulation of 1,6-Diynes Mediated by Methallylchromate or Methallylmagnesium Chloride under CrCl3 Catalysis","Journal of the American Chemical Society","2001","123","","4629","4630","10.1021/ja015746r","","","0.71073","MoKα","","0.0475","0.0416","","","0.1146","0.1188","","","","","","1.066","","","","has coordinates","178926","2020-10-21","18:00:00","" "4115551","13.3136","0.0017","25.346","0.003","15.93","0.002","90","","105.392","0.002","90","","5182.7","1.1","294","2","294","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C59 H26 F20 N4 O2 Os -","- C59 H21 F20 N4 O2 Os -","- C236 H84 F80 N16 O8 Os4 -","4","1","","Yan Li; Jie-Sheng Huang; Zhong-Yuan Zhou; Chi-Ming Che","Isolation and X-ray Crystal Structure of an Unusual Biscarbene Metal Complex and Its Reactivity toward Cyclopropanation and Allylic C-H Insertion of Unfunctionalized Alkenes","Journal of the American Chemical Society","2001","123","","4843","4844","10.1021/ja003184q","","","0.71073","MoKα","","0.063","0.039","","","0.0994","0.1142","","","","","","0.734","","","","has coordinates","178926","2020-10-21","18:00:00","" "4115552","16.7755","0.0015","15.3103","0.0013","25.012","0.002","90","","95.515","0.002","90","","6394.3","0.9","294","2","294","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C71 H34 Cl2 F20 N4 O2 Os -","- C71 H28 Cl2 F20 N4 O2 Os -","- C284 H112 Cl8 F80 N16 O8 Os4 -","4","1","","Yan Li; Jie-Sheng Huang; Zhong-Yuan Zhou; Chi-Ming Che","Isolation and X-ray Crystal Structure of an Unusual Biscarbene Metal Complex and Its Reactivity toward Cyclopropanation and Allylic C-H Insertion of Unfunctionalized Alkenes","Journal of the American Chemical Society","2001","123","","4843","4844","10.1021/ja003184q","","","0.71073","MoKα","","0.0701","0.047","","","0.1264","0.1415","","","","","","0.932","","","","has coordinates","178926","2020-10-21","18:00:00","" "4115553","12.792","0.004","18.517","0.006","27.674","0.008","90","","100.532","0.006","90","","6445","3","294","2","294","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C59 H24 Cl2 F20 N6 O4 Os S2 -","- C59 H22 Cl2 F20 N6 O4 Os S2 -","- C236 H88 Cl8 F80 N24 O16 Os4 S8 -","4","1","","Yan Li; Jie-Sheng Huang; Zhong-Yuan Zhou; Chi-Ming Che","Isolation and X-ray Crystal Structure of an Unusual Biscarbene Metal Complex and Its Reactivity toward Cyclopropanation and Allylic C-H Insertion of Unfunctionalized Alkenes","Journal of the American Chemical Society","2001","123","","4843","4844","10.1021/ja003184q","","","0.71073","MoKα","","0.1177","0.0718","","","0.1775","0.1979","","","","","","1.117","","","","has coordinates,has disorder","178926","2020-10-21","18:00:00","" "4115554","14.507","0.003","13.088","0.002","12.321","0.003","90","","114.013","0.005","90","","2136.9","0.8","294","2","294","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C45 H12 F20 N4 O3 Os -","- C46 H8 F20 N4 O4 Os -","- C92 H16 F40 N8 O8 Os2 -","2","0.5","","Yan Li; Jie-Sheng Huang; Zhong-Yuan Zhou; Chi-Ming Che","Isolation and X-ray Crystal Structure of an Unusual Biscarbene Metal Complex and Its Reactivity toward Cyclopropanation and Allylic C-H Insertion of Unfunctionalized Alkenes","Journal of the American Chemical Society","2001","123","","4843","4844","10.1021/ja003184q","","","0.71073","MoKα","","0.0615","0.0366","","","0.0925","0.1132","","","","","","0.748","","","","has coordinates","178926","2020-10-21","18:00:00","" "4115555","12.487","0.002","7.1123","0.0006","13.738","0.002","90","","98.68","0.08","90","","1206.1","0.4","173","2","173","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","9a","(1-((1,1-dimethyl-2-trifluoroacetyl)hydrazonim)methyl-C,O) methyldichlorosilicon(IV)","","- C6 H11 Cl2 F3 N2 O Si -","- C6 H11 Cl2 F3 N2 O Si -","- C24 H44 Cl8 F12 N8 O4 Si4 -","4","1","","Inna Kalikhman; Olga Girshberg; Lutz Lameyer; Dietmar Stalke; Daniel Kost","Tautomeric Equilibrium between Penta- and Hexacoordinate Silicon Chelates. A Chloride Bridge between Two Pentacoordinate Silicons","Journal of the American Chemical Society","2001","123","","4709","4716","10.1021/ja004118r","","","0.71073","MoKα","","0.0458","0.0387","","","0.1075","0.1127","","","","","","1.048","","","","has coordinates","178926","2020-10-21","18:00:00","" "4115556","11.311","0.002","17.41","0.004","19.369","0.004","90","","95.2","0.03","90","","3798.5","1.4","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","Chloro-bridged disiloxane (15)","bis-[(1-((1,1-dimethyl-2-benzoylhydrazonium)methyl-C,O)methyl]disiloxane dichloride","","- C24.5 H34.5 Cl9.5 N4 O3 Si2 -","- C24.5 H34.5 Cl9.5 N4 O3 Si2 -","- C98 H138 Cl38 N16 O12 Si8 -","4","1","","Inna Kalikhman; Olga Girshberg; Lutz Lameyer; Dietmar Stalke; Daniel Kost","Tautomeric Equilibrium between Penta- and Hexacoordinate Silicon Chelates. A Chloride Bridge between Two Pentacoordinate Silicons","Journal of the American Chemical Society","2001","123","","4709","4716","10.1021/ja004118r","","","0.71073","MoKα","","0.0785","0.0406","","","0.0854","0.0963","","","","","","0.865","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00","" "4115557","6.1313","0.0011","21.369","0.004","6.79","0.0012","90","","98.496","0.004","90","","879.9","0.3","173","2","173","2","","","","","","","","6","P 1 21 1","P 2yb","4","11b","(N-(dimethylamino)formimidato-N,O) (1-((1,1-dimethyl-2-formylhydrazonium)methyl-C,O)methylsilicon(IV) chloride","","- C9 H20 Cl4 N4 O2 Si -","- C9 H20 Cl4 N4 O2 Si -","- C18 H40 Cl8 N8 O4 Si2 -","2","1","","Inna Kalikhman; Olga Girshberg; Lutz Lameyer; Dietmar Stalke; Daniel Kost","Tautomeric Equilibrium between Penta- and Hexacoordinate Silicon Chelates. A Chloride Bridge between Two Pentacoordinate Silicons","Journal of the American Chemical Society","2001","123","","4709","4716","10.1021/ja004118r","","","0.71073","MoKα","","0.0904","0.0863","","","0.2323","0.2364","","","","","","1.074","","","","has coordinates","178926","2020-10-21","18:00:00","" "4115558","12.7198","0.0002","12.7198","0.0002","34.1068","0.0002","90","","90","","90","","5518.25","0.13","173","2","173","2","","","","","","","","6","P 41 21 2","P 4abw 2nw","92","","","","- C30 H28 Cl2 N2 Si Zr -","- C30 H28 Cl2 N2 Si Zr -","- C240 H224 Cl16 N16 Si8 Zr8 -","8","1","","John A. Ewen; Michael J. Elder; Robert L. Jones; Arnold L. Rheingold; Louise M. Liable-Sands; Roger D. Sommer","Chiral Ansa Metallocenes with Cp Ring-Fused to Thiophenes and Pyrroles: Syntheses, Crystal Structures, and Isotactic Polypropylene Catalysts","Journal of the American Chemical Society","2001","123","","4763","4773","10.1021/ja004266h","","","0.71073","MoKα","","0.0404","0.0374","","","0.128","0.1323","","","","","","1.135","","","","has coordinates","178926","2020-10-21","18:00:00","" "4115559","9.5183","0.0002","35.7383","0.0003","8.8314","0.0002","90","","91.6932","0.0011","90","","3002.85","0.1","243","2","243","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C32 H30 Cl2 S2 Si Zr -","- C32 H30 Cl2 S2 Si Zr -","- C128 H120 Cl8 S8 Si4 Zr4 -","4","1","","John A. Ewen; Michael J. Elder; Robert L. Jones; Arnold L. Rheingold; Louise M. Liable-Sands; Roger D. Sommer","Chiral Ansa Metallocenes with Cp Ring-Fused to Thiophenes and Pyrroles: Syntheses, Crystal Structures, and Isotactic Polypropylene Catalysts","Journal of the American Chemical Society","2001","123","","4763","4773","10.1021/ja004266h","","","0.71073","MoKα","","0.1318","0.0985","","","0.2486","0.2727","","","","","","1.808","","","","has coordinates","178926","2020-10-21","18:00:00","" "4115560","11.7096","0.0002","12.6751","0.0002","12.7721","0.0002","96.9974","0.0007","106.851","0.0005","100.266","0.0003","1754.64","0.05","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C35 H36 Cl4 S2 Si Zr -","- C35 H36 Cl4 S2 Si Zr -","- C70 H72 Cl8 S4 Si2 Zr2 -","2","1","","John A. Ewen; Michael J. Elder; Robert L. Jones; Arnold L. Rheingold; Louise M. Liable-Sands; Roger D. Sommer","Chiral Ansa Metallocenes with Cp Ring-Fused to Thiophenes and Pyrroles: Syntheses, Crystal Structures, and Isotactic Polypropylene Catalysts","Journal of the American Chemical Society","2001","123","","4763","4773","10.1021/ja004266h","","","0.71073","MoKα","","0.044","0.041","","","0.1926","0.2026","","","","","","0.959","","","","has coordinates","178926","2020-10-21","18:00:00","" "4115561","13.7403","0.0002","17.3226","0.0002","26.3308","0.0003","90","","91.647","0.0002","90","","6264.61","0.14","173","2","173","2","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C33.5 H32 Cl3 N Si Zr -","- C33 H31 Cl2 N Si Zr -","- C264 H248 Cl16 N8 Si8 Zr8 -","8","1","","John A. Ewen; Michael J. Elder; Robert L. Jones; Arnold L. Rheingold; Louise M. Liable-Sands; Roger D. Sommer","Chiral Ansa Metallocenes with Cp Ring-Fused to Thiophenes and Pyrroles: Syntheses, Crystal Structures, and Isotactic Polypropylene Catalysts","Journal of the American Chemical Society","2001","123","","4763","4773","10.1021/ja004266h","","","0.71073","MoKα","","0.0544","0.0455","","","0.1408","0.1505","","","","","","1.162","","","","has coordinates","176467","2020-10-21","18:00:00","" "4115562","16.9197","0.0007","19.477","0.001","12.7815","0.0005","96.889","0.002","101.353","0.005","75.1","0.009","3980.1","0.3","296.2","","296.2","","","","","","","","","4","P -1","-P 1","2","","","","- C48 H31 N3 S2 -","- C48 H31 N3 S2 -","- C192 H124 N12 S8 -","4","2","","Simi K. Pushpan; Alagar Srinivasan; Venkataramanarao G. Anand; Sundararaman Venkatraman; Tavarekere K. Chandrashekar; Bhavani S. Joshi; Raja Roy; Hiroyuki Furuta","N-Confused Expanded Porphyrin: First Example of a Modified Sapphyrin with an Inverted N-Confused Pyrrole Ring","Journal of the American Chemical Society","2001","123","","5138","5139","10.1021/ja010673x","","","0.7107","MoKα","","0.075","0.075","","0.124","","0.124","","","0.438","","","0.44","","","","has coordinates","176467","2020-10-21","18:00:00","" "4115563","23.7992","0.0014","6.2196","0.0004","4.6385","0.0003","90","","90","","90","","686.6","0.07","293","2","293","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C4 H7 Au Cl N -","- C4 H7 Au Cl N -","- C16 H28 Au4 Cl4 N4 -","4","0.5","","Robert E. Bachman; Michael S. Fioritto; Susan K. Fetics; T. Matthew Cocker","The Structural and Functional Equivalence of Aurophilic and Hydrogen Bonding: Evidence for the First Examples of Rotator Phases Induced by Aurophilic Bonding","Journal of the American Chemical Society","2001","123","","5376","5377","10.1021/ja0056217","","","0.71073","MoKα","","0.1038","0.088","","","0.2092","0.22","","","","","","1.241","","","","has coordinates","178926","2020-10-21","18:00:00","" "4115564","4.4742","0.0002","6.3259","0.0003","10.0957","0.0003","90","","96.167","0.001","90","","284.09","0.02","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C3 H5 Au Cl N -","- C3 H5 Au Cl N -","- C6 H10 Au2 Cl2 N2 -","2","1","","Robert E. Bachman; Michael S. Fioritto; Susan K. Fetics; T. Matthew Cocker","The Structural and Functional Equivalence of Aurophilic and Hydrogen Bonding: Evidence for the First Examples of Rotator Phases Induced by Aurophilic Bonding","Journal of the American Chemical Society","2001","123","","5376","5377","10.1021/ja0056217","","","0.71073","MoKα","","0.0582","0.0538","","","0.1355","0.1383","","","","","","1.042","","","","has coordinates","178926","2020-10-21","18:00:00","" "4115565","10.911","0.001","17.975","0.002","6.865","0.001","90","","90","","90","","1346.4","0.3","298.2","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C14 H23 N S -","- C14 H23 N S -","- C56 H92 N4 S4 -","4","1","","Ilya D. Gridnev; Masaya Yasutake; Natsuka Higashi; Tsuneo Imamoto","Asymmetric Hydrogenation of Enamides with Rh-BisP* and Rh-MiniPHOS Catalysts. Scope, Limitations, and Mechanism","Journal of the American Chemical Society","2001","123","","5268","5276","10.1021/ja010161i","","","1.5418","CuKα","","","0.0487","","","","0.0658","","","","","","1.708","","","","has coordinates","176467","2020-10-21","18:00:00","" "4115566","5.827","0.005","9.154","0.006","19.59","0.01","90.76","0.03","92.54","0.03","81.82","0.03","1033.3","1.2","293","","293","","","","","","","","","3","P -1","-P 1","2","","","","- C26 H26 O3 -","- C26 H26 O3 -","- C52 H52 O6 -","2","1","","Frédéric Robert; Anne Milet; Yves Gimbert; Denés Konya; Andrew E. Greene","Regiochemistry in the Pauson-Khand Reaction: Has a Trans Effect Been Overlooked?","Journal of the American Chemical Society","2001","123","","5396","5400","10.1021/ja004170n","","","0.7107","MoKα","","0.0624","0.0624","","0.0566","","0.0566","","","1.987","","","1.987","","","","has coordinates","176467","2020-10-21","18:00:00","" "4115567","11.1076","0.0009","11.871","0.002","14.655","0.002","80.769","0.005","70.036","0.005","77.303","0.005","1764.2","0.4","173","","173","","","","","","","","Synthetic","4","P -1","-P 1","2","Ti4_BHMPC_ETOH","","","- C66 H86 O26 Ti4 -","- C66 H54 O26 Ti4 -","- C66 H54 O26 Ti4 -","1","0.5","","Adel Rammal; Frédéric Brisach; Marc Henry","Molecular Recognition of Titanium(IV) Alkoxides by 2,6-Bis(hydroxymethyl)-p-cresol in the Crystal Engineering of Hybrid Organic-Inorganic Networks","Journal of the American Chemical Society","2001","123","","5612","5613","10.1021/ja0156136","","","0.71073","Mo-Kα","","0.193","0.082","","0.515","","0.104","","","6.92","","","1.03","","","","has coordinates","178926","2020-10-21","18:00:00","" "4115568","12.8922","0.0004","14.1422","0.0004","22.8758","0.0004","81.271","0.006","77.401","0.006","81.55","0.006","3995.1","0.2","173","","173","","","","","","","","Synthetic","5","P -1","-P 1","2","Ti4_BHMPC_CHCL3","","","- C131 H162 Cl18 O49 Ti8 -","- C131 H108 Cl18 O49 Ti8 -","- C131 H108 Cl18 O49 Ti8 -","1","0.5","","Adel Rammal; Frédéric Brisach; Marc Henry","Molecular Recognition of Titanium(IV) Alkoxides by 2,6-Bis(hydroxymethyl)-p-cresol in the Crystal Engineering of Hybrid Organic-Inorganic Networks","Journal of the American Chemical Society","2001","123","","5612","5613","10.1021/ja0156136","","","0.71073","Mo-Kα","","0.164","0.099","","0.429","","0.122","","","5.682","","","1.264","","","","has coordinates","178926","2020-10-21","18:00:00","" "4115569","18.6794","0.0013","13.5313","0.001","7.6028","0.0006","90","","102.196","0.003","90","","1878.3","0.2","30","2","30","2","","","","","","","","2","I 1 2/m 1","-I 2y","12","","","","- O64 Si32 -","- O64 Si32 -","- O64 Si32 -","1","0.125","","Luis A. Villaescusa; Philip Lightfoot; Simon J. Teat; Russell E. Morris","Variable-Temperature Microcrystal X-ray Diffraction Studies of Negative Thermal Expansion in the Pure Silica Zeolite IFR","Journal of the American Chemical Society","2001","123","","5453","5459","10.1021/ja015797o","","","0.6942","","","0.1277","0.0752","","","0.1631","0.1864","","","","","","1.035","","","","has coordinates","178926","2020-10-21","18:00:00","" "4115570","18.6504","0.0013","13.4868","0.001","7.6257","0.0006","90","","101.99","0.003","90","","1876.3","0.2","240","2","240","2","","","","","","","","2","I 1 2/m 1","-I 2y","12","","","","- O64 Si32 -","- O64 Si32 -","- O64 Si32 -","1","0.125","","Luis A. Villaescusa; Philip Lightfoot; Simon J. Teat; Russell E. Morris","Variable-Temperature Microcrystal X-ray Diffraction Studies of Negative Thermal Expansion in the Pure Silica Zeolite IFR","Journal of the American Chemical Society","2001","123","","5453","5459","10.1021/ja015797o","","","0.6944","","","0.0701","0.0578","","","0.128","0.1296","","","","","","2.107","","","","has coordinates","178926","2020-10-21","18:00:00","" "4115571","18.6277","0.0013","13.4777","0.001","7.6305","0.0006","90","","101.927","0.003","90","","1874.3","0.2","340","2","340","2","","","","","","","","2","I 1 2/m 1","-I 2y","12","","","","- O64 Si32 -","- O64 Si32 -","- O64 Si32 -","1","0.125","","Luis A. Villaescusa; Philip Lightfoot; Simon J. Teat; Russell E. Morris","Variable-Temperature Microcrystal X-ray Diffraction Studies of Negative Thermal Expansion in the Pure Silica Zeolite IFR","Journal of the American Chemical Society","2001","123","","5453","5459","10.1021/ja015797o","","","0.6944","","","0.067","0.0472","","","0.1139","0.1183","","","","","","1.236","","","","has coordinates","178926","2020-10-21","18:00:00","" "4115572","12.195","0.0003","22.04","0.0011","16.888","0.0006","90","","143.526","0.003","90","","2698.3","0.3","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","TpOs[NH-p-C6H4N(c-C5H10)]Cl2","","- C23 H31 B Cl2 N8 O Os -","- C23 H31 B Cl2 N8 O Os -","- C92 H124 B4 Cl8 N32 O4 Os4 -","4","1","","Jake D. Soper; Werner Kaminsky; James M. Mayer","Activation of an Anilido Ligand for Nucleophilic Aromatic Substitution by an Oxidizing Os(IV) Center","Journal of the American Chemical Society","2001","123","","5594","5595","10.1021/ja0159214","","","0.7107","MoKα","","0.0539","0.0321","","","0.0705","0.0766","","","","","","0.977","","","","has coordinates","178926","2020-10-21","18:00:00","" "4115573","8.603","0.0003","27.533","0.0011","10.456","0.0003","90","","97.632","0.002","90","","2454.74","0.15","130","2","130","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","TpOs[NH-p-C6H4N(c-C4H8)]Cl2","","- C21 H26 B Cl2 N9 Os -","- C21 H26 B Cl2 N9 Os -","- C84 H104 B4 Cl8 N36 Os4 -","4","1","","Jake D. Soper; Werner Kaminsky; James M. Mayer","Activation of an Anilido Ligand for Nucleophilic Aromatic Substitution by an Oxidizing Os(IV) Center","Journal of the American Chemical Society","2001","123","","5594","5595","10.1021/ja0159214","","","0.7107","MoKα","","0.0423","0.0317","","","0.0694","0.0729","","","","","","1.006","","","","has coordinates","178926","2020-10-21","18:00:00","" "4115574","10.2133","0.0008","10.3016","0.0008","14.8454","0.0012","96.025","0.001","99.522","0.001","117.543","0.002","1336.1","0.18","295","2","295","2","","","","","","","","6","P -1","-P 1","2","","","","- C18 H34 Cl2 Cu O9 S4 -","- C18 H34 Cl2 Cu O9 S4 -","- C36 H68 Cl4 Cu2 O18 S8 -","2","1","","Qiuyue Yu; Cynthia A. Salhi; Edna A. Ambundo; Mary Jane Heeg; L. A. Ochrymowycz; D. B. Rorabacher","Direct Evidence for a Geometrically Constrained ""Entatic State"" Effect on Copper(II/I) Electron-Transfer Kinetics As Manifested in Metastable Intermediates","Journal of the American Chemical Society","2001","123","","5720","5729","10.1021/ja002995r","","","0.71073","MoKα","","0.099","0.0479","","0.1254","0.1052","","","","0.951","1.076","1.076","","","","","has coordinates,has disorder","178926","2020-10-21","18:00:00","" "4115575","10.8358","0.0005","14.8072","0.0007","17.2021","0.0008","90","","90","","90","","2760","0.2","295","2","295","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C18 H36 Cl2 Cu O10 S4 -","- C18 H36 Cl2 Cu O10 S4 -","- C72 H144 Cl8 Cu4 O40 S16 -","4","0.5","","Qiuyue Yu; Cynthia A. Salhi; Edna A. Ambundo; Mary Jane Heeg; L. A. Ochrymowycz; D. B. Rorabacher","Direct Evidence for a Geometrically Constrained ""Entatic State"" Effect on Copper(II/I) Electron-Transfer Kinetics As Manifested in Metastable Intermediates","Journal of the American Chemical Society","2001","123","","5720","5729","10.1021/ja002995r","","","0.71073","MoKα","","0.0741","0.0559","","0.1779","0.1647","","","","1.064","1.131","1.131","","","","","has coordinates,has disorder","178926","2020-10-21","18:00:00","" "4115576","20.0273","0.0013","6.996","0.0004","20.2965","0.0013","90","","101.536","0.001","90","","2786.3","0.3","295","2","295","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C18 H36 Cl2 Cu O10 S4 -","- C18 H32 Cl2 Cu O10 S4 -","- C72 H128 Cl8 Cu4 O40 S16 -","4","1","","Qiuyue Yu; Cynthia A. Salhi; Edna A. Ambundo; Mary Jane Heeg; L. A. Ochrymowycz; D. B. Rorabacher","Direct Evidence for a Geometrically Constrained ""Entatic State"" Effect on Copper(II/I) Electron-Transfer Kinetics As Manifested in Metastable Intermediates","Journal of the American Chemical Society","2001","123","","5720","5729","10.1021/ja002995r","","","0.71073","MoKα","","0.1363","0.0739","","0.2492","0.207","","","","1.054","1.218","1.218","","","","","has coordinates,has disorder","178926","2020-10-21","18:00:00","" "4115577","13.0498","0.0007","16.9827","0.0008","23.5634","0.0011","90","","90","","90","","5222.1","0.4","295","2","295","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C18 H32 Cl2 Cu O8 S4 -","- C18 H32 Cl2 Cu O8 S4 -","- C144 H256 Cl16 Cu8 O64 S32 -","8","1","","Qiuyue Yu; Cynthia A. Salhi; Edna A. Ambundo; Mary Jane Heeg; L. A. Ochrymowycz; D. B. Rorabacher","Direct Evidence for a Geometrically Constrained ""Entatic State"" Effect on Copper(II/I) Electron-Transfer Kinetics As Manifested in Metastable Intermediates","Journal of the American Chemical Society","2001","123","","5720","5729","10.1021/ja002995r","","","0.71073","MoKα","","0.1488","0.096","","0.2979","0.273","","","","1.053","1.264","1.264","","","","","has coordinates,has disorder","178926","2020-10-21","18:00:00","" "4115578","11.537","0.0006","13.7475","0.0007","17.7187","0.0009","90","","101.785","0.001","90","","2751","0.2","295","2","295","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C18 H34 Cl2 Cu O9 S4 -","- C18 H33 Cl2 Cu O9 S4 -","- C72 H132 Cl8 Cu4 O36 S16 -","4","1","","Qiuyue Yu; Cynthia A. Salhi; Edna A. Ambundo; Mary Jane Heeg; L. A. Ochrymowycz; D. B. Rorabacher","Direct Evidence for a Geometrically Constrained ""Entatic State"" Effect on Copper(II/I) Electron-Transfer Kinetics As Manifested in Metastable Intermediates","Journal of the American Chemical Society","2001","123","","5720","5729","10.1021/ja002995r","","","0.71073","MoKα","","0.0823","0.0529","","0.1646","0.1471","","","","1.034","1.125","1.125","","","","","has coordinates,has disorder","178926","2020-10-21","18:00:00","" "4115579","10.916","0.002","15.602","0.003","13.66","0.003","90","","91.87","0.03","90","","2325.2","0.8","295","2","295","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C18 H32 Cl Cu O4 S4 -","- C18 H32 Cl Cu O4 S4 -","- C72 H128 Cl4 Cu4 O16 S16 -","4","1","","Qiuyue Yu; Cynthia A. Salhi; Edna A. Ambundo; Mary Jane Heeg; L. A. Ochrymowycz; D. B. Rorabacher","Direct Evidence for a Geometrically Constrained ""Entatic State"" Effect on Copper(II/I) Electron-Transfer Kinetics As Manifested in Metastable Intermediates","Journal of the American Chemical Society","2001","123","","5720","5729","10.1021/ja002995r","","","0.71073","MoKα","","0.0595","0.0374","","","0.1035","0.1094","","","","","","0.961","","","","has coordinates","178926","2020-10-21","18:00:00","" "4115580","23.973","0.003","14.04","0.002","6.5655","0.0008","90","","90.352","0.002","90","","2209.8","0.5","298","","298","","","","","","","","synthesis as described","5","C 1 2/m 1","-C 2y","12","","disodium potassium europium octasilicate pentahydrate","","- Eu K Na2 O24 Si8 -","- Eu K Na2 O24 Si8 -","- Eu4 K4 Na8 O96 Si32 -","4","0.5","","Duarte Ananias; Artur Ferreira; João Rocha; Paula Ferreira; José P. Rainho; Cláudia Morais; Luís D. Carlos","Novel Microporous Europium and Terbium Silicates","Journal of the American Chemical Society","2001","123","","5735","5742","10.1021/ja010244z","powder diffraction","x-ray","1.54056","CuKα~1~","","","","","","","","","0.0493","2.35","","","","","","","has coordinates","178926","2020-10-21","18:00:00","" "4115581","23.945","0.003","14.019","0.002","6.5542","0.0007","90","","90.288","0.003","90","","2200.1","0.5","298","","298","","","","","","","","synthesis as described","5","C 1 2/m 1","-C 2y","12","","disodium potassium terbium octasilicate pentahydrate","","- K Na2 O24 Si8 Tb -","- K Na2 O24 Si8 Tb -","- K4 Na8 O96 Si32 Tb4 -","4","0.5","","Duarte Ananias; Artur Ferreira; João Rocha; Paula Ferreira; José P. Rainho; Cláudia Morais; Luís D. Carlos","Novel Microporous Europium and Terbium Silicates","Journal of the American Chemical Society","2001","123","","5735","5742","10.1021/ja010244z","powder diffraction","x-ray","1.54056","CuKα~1~","","","","","","","","","0.07","2.93","","","","","","","has coordinates","176467","2020-10-21","18:00:00","" "4115582","9.4344","0.0009","27.089","0.003","30.133","0.003","90","","90","","90","","7701","1.4","170","2","170","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C38.6 H56.2 N4 O8.4 -","- C38.6 H56.2 N4 O8.4 -","- C308.8 H449.6 N32 O67.2 -","8","1","","Joseph M. Mahoney; Alicia M. Beatty; Bradley D. Smith","Selective Recognition of an Alkali Halide Contact Ion-Pair","Journal of the American Chemical Society","2001","123","","5847","5848","10.1021/ja0156082","","","0.71073","MoKα","","0.1753","0.0664","","","0.1268","0.1761","","","","","","1.033","","","","has coordinates","176467","2020-10-21","18:00:00","" "4115583","22.6601","0.0014","13.1202","0.0009","27.7671","0.0018","90","","103.732","0.001","90","","8019.3","0.9","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C39.2 H52.4 Cl K N4 O6.6 -","- C39.2 H43 Cl K N4 O6.6 -","- C313.6 H344 Cl8 K8 N32 O52.8 -","8","2","","Joseph M. Mahoney; Alicia M. Beatty; Bradley D. Smith","Selective Recognition of an Alkali Halide Contact Ion-Pair","Journal of the American Chemical Society","2001","123","","5847","5848","10.1021/ja0156082","","","0.71073","MoKα","","0.1174","0.0806","","","0.2401","0.2644","","","","","","1.026","","","","has coordinates","176467","2020-10-21","18:00:00","" "4115584","23.818","0.002","11.9742","0.0012","26.727","0.003","90","","90","","90","","7622.6","1.3","170","2","170","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C38 H50 Cl N4 Na O6 -","- C38 H50 Cl N4 Na O6 -","- C304 H400 Cl8 N32 Na8 O48 -","8","1","","Joseph M. Mahoney; Alicia M. Beatty; Bradley D. Smith","Selective Recognition of an Alkali Halide Contact Ion-Pair","Journal of the American Chemical Society","2001","123","","5847","5848","10.1021/ja0156082","","","0.71073","MoKα","","0.0936","0.0498","","","0.1057","0.1456","","","","","","1.048","","","","has coordinates","178926","2020-10-21","18:00:00","" "4115585","11.5136","0.0005","11.5136","0.0005","7.2291","0.0008","90","","90","","90","","958.31","0.12","173","2","173","2","","","","","","","synthesized","5","I 4/m","-I 4","87","","Catena((μ2-ν2:ν2-ethylene)-tetrakis(μ2-trifluoroacetato-O,O')- dirhodium(II,II)","","- C10 H4 F12 O8 Rh2 -","- C10 H4 F12 O8 Rh2 -","- C20 H8 F24 O16 Rh4 -","2","0.125","","F. Albert Cotton; Evgeny V. Dikarev; Marina A. Petrukhina; Robert E. Taylor","A Polymeric Chain in Which μ2,η2:η2-Ethene Symmetrically Bridges Tetra(trifluoroacetato) Dirhodium Molecules","Journal of the American Chemical Society","2001","123","","5831","5832","10.1021/ja0160750","","","0.71073","MoKα","","0.0318","0.0312","","0.0794","0.0781","","","","1.117","1.118","1.118","","","","","has coordinates,has disorder","178926","2020-10-21","18:00:00","" "4115586","12.468","0.002","17.667","0.003","25.111","0.004","79.81","0.02","79.28","0.02","89.99","0.02","5345.9","1.6","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C25 H40 Fe N3 O6 -","- C25 H40 Fe N3 O6 -","- C200 H320 Fe8 N24 O48 -","8","4","","Shuji Kimura; Eckhard Bill; Eberhard Bothe; Thomas Weyhermüller; Karl Wieghardt","Phenylthiyl Radical Complexes of Gallium(III), Iron(III), and Cobalt(III) and Comparison with Their Phenoxyl Analogues","Journal of the American Chemical Society","2001","123","","6025","6039","10.1021/ja004305p","","","0.71073","MoKα","","0.1185","0.0646","","0.18","0.1576","","","","1.053","1.238","1.238","","","","","has coordinates","178926","2020-10-21","18:00:00","" "4115587","49.743","0.007","8.8465","0.0012","13.293","0.002","90","","98.9","0.02","90","","5779.2","1.5","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C26 H45 Co N3 O7.5 -","- C26 H45 Co N3 O7.5 -","- C208 H360 Co8 N24 O60 -","8","1","","Shuji Kimura; Eckhard Bill; Eberhard Bothe; Thomas Weyhermüller; Karl Wieghardt","Phenylthiyl Radical Complexes of Gallium(III), Iron(III), and Cobalt(III) and Comparison with Their Phenoxyl Analogues","Journal of the American Chemical Society","2001","123","","6025","6039","10.1021/ja004305p","","","0.71073","MoKα","","0.1022","0.0544","","0.1585","0.1292","","","","1.014","1.12","1.12","","","","","has coordinates","176467","2020-10-21","18:00:00","" "4115588","7.3937","0.0006","13.8182","0.0012","17.329","0.002","90","","91.293","0.012","90","","1770","0.3","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C17 H22 Fe N3 O4 S -","- C17 H22 Fe N3 O4 S -","- C68 H88 Fe4 N12 O16 S4 -","4","1","","Shuji Kimura; Eckhard Bill; Eberhard Bothe; Thomas Weyhermüller; Karl Wieghardt","Phenylthiyl Radical Complexes of Gallium(III), Iron(III), and Cobalt(III) and Comparison with Their Phenoxyl Analogues","Journal of the American Chemical Society","2001","123","","6025","6039","10.1021/ja004305p","","","0.71073","MoKα","","0.0294","0.025","","0.0687","0.0671","","","","1.051","1.09","1.09","","","","","has coordinates","178926","2020-10-21","18:00:00","" "4115589","27.694","0.005","27.694","0.005","13.188","0.003","90","","90","","120","","8760","3","100","2","100","2","","","","","","","","6","P -3 c 1","-P 3 2""c","165","","","","- C25 H40.33 Co N3 O5.17 S -","- C25 H38 Co N3 O5.16667 S -","- C300 H456 Co12 N36 O62 S12 -","12","1","","Shuji Kimura; Eckhard Bill; Eberhard Bothe; Thomas Weyhermüller; Karl Wieghardt","Phenylthiyl Radical Complexes of Gallium(III), Iron(III), and Cobalt(III) and Comparison with Their Phenoxyl Analogues","Journal of the American Chemical Society","2001","123","","6025","6039","10.1021/ja004305p","","","0.71073","MoKα","","0.1601","0.0726","","0.2404","0.1652","","","","0.991","1.2","1.2","","","","","has coordinates","178926","2020-10-21","18:00:00","" "4115590","13.178","0.002","13.545","0.002","12.6211","0.0012","116.169","0.005","92.716","0.003","98.691","0.005","1982.1","0.5","296.2","","296.2","","","","","","","","","4","P -1","-P 1","2","","","","- C50 H44 N6 O2 -","- C50 H42 N6 O2 -","- C100 H84 N12 O4 -","2","1","","Hiroyuki Furuta; Tomoya Ishizuka; Atsuhiro Osuka; Hirohisa Dejima; Hidenori Nakagawa; Yuichi Ishikawa","NH Tautomerism of N-Confused Porphyrin","Journal of the American Chemical Society","2001","123","","6207","6208","10.1021/ja010237a","","","0.7107","MoKα","","0.0683","0.068","","0.073","","0.073","","","0.177","","","0.18","","","","has coordinates","176467","2020-10-21","18:00:00","" "4115591","15.2671","0.0002","15.2671","0.0001","48.4117","0.0006","90","0.0007","90","0.0004","120","0.0005","9772.24","0.19","158","2","158","2","","","","","","","","6","P 32 2 1","P 32 2""","154","","","","- C45 H66.5 Cu5 La N12.5 O26 -","- C45 H50 Cu5 La N12.5 O28.75 -","- C270 H300 Cu30 La6 N75 O172.5 -","6","1","","Annabel D. Cutland; Jason A. Halfen; Jeff W. Kampf; Vincent L. Pecoraro","Chiral 15-Metallacrown-5 Complexes Differentially Bind Carboxylate Anions","Journal of the American Chemical Society","2001","123","","6211","6212","10.1021/ja015610t","","","0.71073","MoKα","","0.0559","0.0541","","","0.1228","0.1239","","","","","","1.215","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00","" "4115592","14.6821","0.0002","38.1937","0.0007","15.6385","0.0002","90","","117.862","0.001","90","","7752.9","0.2","158","2","158","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C96 H163 Cu10 La2 N20 O79 -","- C96 H108 Cu10 La2 N20 O42 -","- C192 H216 Cu20 La4 N40 O84 -","2","1","","Annabel D. Cutland; Jason A. Halfen; Jeff W. Kampf; Vincent L. Pecoraro","Chiral 15-Metallacrown-5 Complexes Differentially Bind Carboxylate Anions","Journal of the American Chemical Society","2001","123","","6211","6212","10.1021/ja015610t","","","0.71073","MoKα","","0.115","0.109","","","0.2968","0.3009","","","","","","1.055","","","","has coordinates,has disorder","178926","2020-10-21","18:00:00","" "4115593","15.098","0.003","28.257","0.006","16.887","0.003","90","","102.185","0.003","90","","7042","2","158","2","158","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C107 H128 Cu10 Gd2 N20 O43 -","- C107 H111 Cu10 Gd2 N20 O42.32 -","- C214 H222 Cu20 Gd4 N40 O84.64 -","2","1","","Annabel D. Cutland; Jason A. Halfen; Jeff W. Kampf; Vincent L. Pecoraro","Chiral 15-Metallacrown-5 Complexes Differentially Bind Carboxylate Anions","Journal of the American Chemical Society","2001","123","","6211","6212","10.1021/ja015610t","","","0.71073","MoKα","","0.082","0.061","","","0.1566","0.166","","","","","","1.066","","","","has coordinates","178926","2020-10-21","18:00:00","" "4115594","5.957","0.001","15.17","0.001","7.964","0.001","90","","90","","90","","719.69","0.16","193","2","193","2","","","","","","","","3","P b c m","-P 2c 2b","57","Tetrafluorochlorine(V+)hexafluoroantimonate(V+)","","","- Cl F10 Sb -","- Cl F10 Sb -","- Cl4 F40 Sb4 -","4","0.5","","Karl O. Christe; Xiongzhi Zhang; Jeffrey A. Sheehy; Robert Bau","Crystal Structure of ClF4+SbF6-, Normal Coordinate Analyses of ClF4+, BrF4+, IF4+, SF4, SeF4, and TeF4, and Simple Method for Calculating the Effects of Fluorine Bridging on the Structure and Vibrational Spectra of Ions in a Strongly Interacting Ionic Solid","Journal of the American Chemical Society","2001","123","","6338","6348","10.1021/ja003347a","","","0.71073","MoKα","","0.0227","0.022","","0.0496","0.0493","","","","1.147","1.158","1.158","","","","","has coordinates","178926","2020-10-21","18:00:00","" "4115595","9.507","0.002","17.422","0.002","7.591","0.002","90.68","0.02","105.79","0.02","75.55","0.01","1169.5","0.4","298","1","","","","","","","","","","4","P -1","-P 1","2","","","","- C26 H24 N2 O6 -","- C25.02 H22.236 N2 O6 -","- C50.04 H44.472 N4 O12 -","2","1","","Shigeru Ohba; Hiroyuki Hosomi; Yoshikatsu Ito","In Situ X-ray Observation of Pedal-like Conformational Change and Dimerization of trans-Cinnamamide in Cocrystals with Phthalic Acid","Journal of the American Chemical Society","2001","123","","6349","6352","10.1021/ja0034287","","","0.71073","MoKα","","","0.08","","","","0.223","","","","","","1.54","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00","" "4115596","9.562","0.003","17.401","0.004","7.523","0.003","90.82","0.02","105.72","0.02","75.51","0.02","1164.7","0.7","298","1","","","","","","","","","","4","P -1","-P 1","2","","","","- C26 H24 N2 O6 -","- C26 H24 N2 O6 -","- C52 H48 N4 O12 -","2","1","","Shigeru Ohba; Hiroyuki Hosomi; Yoshikatsu Ito","In Situ X-ray Observation of Pedal-like Conformational Change and Dimerization of trans-Cinnamamide in Cocrystals with Phthalic Acid","Journal of the American Chemical Society","2001","123","","6349","6352","10.1021/ja0034287","","","0.71073","MoKα","","","0.041","","","","0.181","","","","","","1.06","","","","has coordinates","201982","2020-10-21","18:00:00","" "4115597","10.487","0.003","10.833","0.003","15.804","0.005","96.045","0.015","97.114","0.016","99.466","0.016","1742.8","0.9","130","2","130","2","","","","","","","","6","P -1","-P 1","2","","","","- C42 H48 F Fe N5 O -","- C42 H48 F Fe N5 O -","- C84 H96 F2 Fe2 N10 O2 -","2","1","","George B. Richter-Addo; Ralph A. Wheeler; Christopher Adam Hixson; Li Chen; Masood A. Khan; Mary K. Ellison; Charles E. Schulz; W. Robert Scheidt","Unexpected Nitrosyl-Group Bending in Six-Coordinate {M(NO)}6σ-Bonded Aryl(iron) and -(ruthenium) Porphyrins","Journal of the American Chemical Society","2001","123","","6314","6326","10.1021/ja010276m","","","0.71073","MoKα","","0.0902","0.0628","","","0.1344","0.1496","","","","","","1.039","","","","has coordinates","178926","2020-10-21","18:00:00","" "4115598","10.5223","0.0011","10.8549","0.0014","15.793","0.002","96.051","0.011","97.08","0.01","99.464","0.01","1751.1","0.4","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C42 H48 F N5 O Ru -","- C42 H48 F N5 O Ru -","- C84 H96 F2 N10 O2 Ru2 -","2","1","","George B. Richter-Addo; Ralph A. Wheeler; Christopher Adam Hixson; Li Chen; Masood A. Khan; Mary K. Ellison; Charles E. Schulz; W. Robert Scheidt","Unexpected Nitrosyl-Group Bending in Six-Coordinate {M(NO)}6σ-Bonded Aryl(iron) and -(ruthenium) Porphyrins","Journal of the American Chemical Society","2001","123","","6314","6326","10.1021/ja010276m","","","0.71073","MoKα","","0.055","0.0394","","0.1158","0.0878","","","","1.053","1.072","1.072","","","","","has coordinates","178926","2020-10-21","18:00:00","" "4115599","10.6209","0.0008","10.9386","0.0012","15.9183","0.0015","95.705","0.008","97.009","0.007","99.61","0.007","1796.2","0.3","303","2","303","2","","","","","","","","6","P -1","-P 1","2","","","","- C42 H48 F N5 O Ru -","- C42 H48 F N5 O Ru -","- C84 H96 F2 N10 O2 Ru2 -","2","1","","George B. Richter-Addo; Ralph A. Wheeler; Christopher Adam Hixson; Li Chen; Masood A. Khan; Mary K. Ellison; Charles E. Schulz; W. Robert Scheidt","Unexpected Nitrosyl-Group Bending in Six-Coordinate {M(NO)}6σ-Bonded Aryl(iron) and -(ruthenium) Porphyrins","Journal of the American Chemical Society","2001","123","","6314","6326","10.1021/ja010276m","","","0.71073","MoKα","","0.0814","0.049","","0.1313","0.0982","","","","1.018","1.054","1.054","","","","","has coordinates","178926","2020-10-21","18:00:00","" "4115600","8.5581","0.0003","9.8036","0.0003","10.6673","0.0004","64.651","0.001","68.683","0.001","87.56","0.001","746.65","0.05","173","2","173","2","","","","","","","Y. Dong / Prof. L. Que","6","P 1","P 1","1","96026","","","- C25 H30 Cl2 Fe N6 O8 -","- C25 H30 Cl2 Fe N6 O8 -","- C25 H30 Cl2 Fe N6 O8 -","1","1","","Kui Chen; Lawrence Que","Stereospecific Alkane Hydroxylation by Non-Heme Iron Catalysts: Mechanistic Evidence for an FeVO Active Species","Journal of the American Chemical Society","2001","123","","6327","6337","10.1021/ja010310x","","","0.71073","MoKα","","0.0251","0.0245","","0.063","0.0621","","","","1.061","1.054","1.054","","","","","has coordinates","178927","2020-10-21","18:00:00","" "4115601","11.468","0.002","11.835","0.002","12.691","0.002","74.252","0.003","77.657","0.003","68.165","0.003","1526.6","0.4","173","2","173","2","","","","","","","Kui Chen, Prof. L. Que","6","P -1","-P 1","2","99139","","","- C26 H31.5 Cl2 Fe N6.5 O8 -","- C26 H31.5 Cl2 Fe N6.5 O8 -","- C52 H63 Cl4 Fe2 N13 O16 -","2","1","","Kui Chen; Lawrence Que","Stereospecific Alkane Hydroxylation by Non-Heme Iron Catalysts: Mechanistic Evidence for an FeVO Active Species","Journal of the American Chemical Society","2001","123","","6327","6337","10.1021/ja010310x","","","0.71073","MoKα","","0.0895","0.0426","","0.0789","0.071","","","","0.809","1.004","1.004","","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00","" "4115602","9.864","0.002","9.864","0.002","24.777","0.009","90","","90","","120","","2087.8","1","293","2","293","2","","","","","","","","7","P 32","P 32","145","00389","","","- C24 H20 F6 Fe N4 O6 S2 -","- C24 H20 F6 Fe N4 O6 S2 -","- C72 H60 F18 Fe3 N12 O18 S6 -","3","1","","Kui Chen; Lawrence Que","Stereospecific Alkane Hydroxylation by Non-Heme Iron Catalysts: Mechanistic Evidence for an FeVO Active Species","Journal of the American Chemical Society","2001","123","","6327","6337","10.1021/ja010310x","","","0.71073","MoKα","","0.0994","0.0786","","","0.2068","0.2227","","","","","","1.045","","","","has coordinates,has disorder","198632","2020-10-21","18:00:00","" "4115603","10.0336","0.0002","16.0283","0.0004","17.3444","0.0002","90","","101.619","0.001","90","","2732.2","0.09","173","2","173","2","","","","","","","K. Chen / Prof. L. Que","6","P 1 21/n 1","-P 2yn","14","97277","","","- C26 H24 Cl2 Fe N4 O9 -","- C26 H24 Cl2 Fe N4 O9 -","- C104 H96 Cl8 Fe4 N16 O36 -","4","1","","Kui Chen; Lawrence Que","Stereospecific Alkane Hydroxylation by Non-Heme Iron Catalysts: Mechanistic Evidence for an FeVO Active Species","Journal of the American Chemical Society","2001","123","","6327","6337","10.1021/ja010310x","","","0.71073","MoKα","","0.1299","0.0614","","0.1437","0.1215","","","","1.005","1.171","1.171","","","","","has coordinates,has disorder","178927","2020-10-21","18:00:00","" "4115604","12.4242","0.0005","22.4768","0.0008","25.1848","0.0009","90","","95.457","0.001","90","","7001.1","0.5","193","","193","","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C61 H66 B2 F24 N6 O2 Pt Si -","- C61 H66 B2 F33 N6 O2 Pt Si -","- C244 H264 B8 F132 N24 O8 Pt4 Si4 -","4","1","","Stefan Reinartz; Peter S. White; Maurice Brookhart; Joseph L. Templeton","Five-Coordinate Trispyrazolylborate Dihydridosilyl Platinum(IV) Complexes","Journal of the American Chemical Society","2001","123","","6425","6426","10.1021/ja0104047","","","0.71073","MolybdenumKα","","0.068","0.048","","0.064","0.061","","","","","2.29","2.29","","","","","has coordinates","176467","2020-10-21","18:00:00","" "4115605","10.4018","0.0006","12.1622","0.0008","9.0988","0.0006","108.935","0.003","104.073","0.003","104.779","0.002","983.65","0.11","296.2","","","","","","","","","","","4","P -1","-P 1","2","","","","- C42 H42 Bi2 O8 -","- C84 H84 Bi4 O16 -","- C84 H84 Bi4 O16 -","1","0.5","","Yoshihiro Matano; Hazumi Nomura","Dimeric Triarylbismuthane Oxide: A Novel Efficient Oxidant for the Conversion of Alcohols to Carbonyl Compounds","Journal of the American Chemical Society","2001","123","","6443","6444","10.1021/ja010584k","","","0.7107","MoKα","","","0.0441","","","","0.1033","","","","","","1.071","","","","has coordinates","176467","2020-10-21","18:00:00","" "4115606","14.108","0.0003","9.847","0.0003","21.782","0.0004","90","","90","","90","","3025.99","0.13","130","2","130","2","","","","","","","","4","P n a m","-P 2c 2n","62","","","","- C32 H50 N2 Pt -","- C32 H50 N2 Pt -","- C128 H200 N8 Pt4 -","4","0.5","","Ulrich Fekl; Werner Kaminsky; Karen I. Goldberg","A Stable Five-Coordinate Platinum(IV) Alkyl Complex","Journal of the American Chemical Society","2001","123","","6423","6424","10.1021/ja0156690","","","0.7107","MoKα","","0.0516","0.0348","","","0.0835","0.0892","","","","","","1.065","","","","has coordinates","178927","2020-10-21","18:00:00","" "4115607","9.097","0.0004","13.953","0.0006","12.761","0.0006","90","","109.996","0.003","90","","1522.11","0.12","130","2","130","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C32 H50 N2 Pt -","- C32 H50 N2 Pt -","- C64 H100 N4 Pt2 -","2","1","","Ulrich Fekl; Werner Kaminsky; Karen I. Goldberg","A Stable Five-Coordinate Platinum(IV) Alkyl Complex","Journal of the American Chemical Society","2001","123","","6423","6424","10.1021/ja0156690","","","0.7107","MoKα","","0.0459","0.0366","","","0.0785","0.0816","","","","","","1.091","","","","has coordinates","178927","2020-10-21","18:00:00","" "4115608","10.296","0.001","20.146","0.002","10.392","0.001","90","","101.86","0.01","90","","2109.5","0.4","20","","20","","","","","","","","","9","P 1 21 1","P 2yb","4","","","","- C44 H43 F6 Fe N O P Pd Sb -","- C88 H86 F12 Fe2 N2 O2 P2 Pd2 Sb2 -","- C88 H86 F12 Fe2 N2 O2 P2 Pd2 Sb2 -","","","","Wei-Ping Deng; Shu-Li You; Xue-Long Hou; Li-Xin Dai; Yi-Hua Yu; Wei Xia; Jie Sun","Importance of Planar Chirality in Chiral Catalysts with Three Chiral Elements: The Role of Planar Chirality in 2'-Substituted 1,1'-P,N-Ferrocene Ligands on the Enantioselectivity in Pd-Catalyzed Allylic Substitution","Journal of the American Chemical Society","2001","123","","6508","6519","10.1021/ja002657q","","","0.7107","MoKalpha","","","0.032","","","0.037","","","","","1.26","1.26","","","","","has coordinates","176467","2020-10-21","18:00:00","" "4115609","10.833","0.002","19.344","0.007","20.46","0.003","90","","104.64","0.01","90","","4148.3","1.8","20","","20","","","","","","","","","9","P 1 21 1","P 2yb","4","","","","- C44 H43 F6 Fe N O P Pd Sb -","- C176 H172 F24 Fe4 N4 O4 P4 Pd4 Sb4 -","- C176 H172 F24 Fe4 N4 O4 P4 Pd4 Sb4 -","","","","Wei-Ping Deng; Shu-Li You; Xue-Long Hou; Li-Xin Dai; Yi-Hua Yu; Wei Xia; Jie Sun","Importance of Planar Chirality in Chiral Catalysts with Three Chiral Elements: The Role of Planar Chirality in 2'-Substituted 1,1'-P,N-Ferrocene Ligands on the Enantioselectivity in Pd-Catalyzed Allylic Substitution","Journal of the American Chemical Society","2001","123","","6508","6519","10.1021/ja002657q","","","0.7107","MoKalpha","","","0.031","","","0.038","","","","","1.56","1.56","","","","","has coordinates","176467","2020-10-21","18:00:00","" "4115610","11.8183","0.0004","12.3733","0.0004","14.3086","0.0003","104.742","0.002","113.604","0.002","100.713","0.002","1753.7","0.1","188","2","188","2","","","","","","","","6","P -1","-P 1","2","","","","- C25 H39 Cl2 N5 O12 Zn2 -","- C25 H39 Cl2 N5 O12 Zn2 -","- C50 H78 Cl4 N10 O24 Zn4 -","2","1","","Natalia V. Kaminskaia; Bernhard Spingler; Stephen J. Lippard","Intermediate in β-Lactam Hydrolysis Catalyzed by a Dinuclear Zinc(II) Complex: Relevance to the Mechanism of Metallo-β-lactamase","Journal of the American Chemical Society","2001","123","","6555","6563","10.1021/ja002699e","","","0.71073","MoKα","","0.2034","0.0867","","","0.2211","0.2696","","","","","","0.903","","","","has coordinates","178927","2020-10-21","18:00:00","" "4115611","30.78","0.004","30.78","0.004","25.831","0.005","90","","90","","90","","24473","7","193","2","193","2","","","","","","","","6","I 4","I 4","79","","","","- C176.38 H281 Ba N52 O59.5 Si8 -","- C176.39 H270.06 Ba N52.01 O59.5 Si8 -","- C705.56 H1080.24 Ba4 N208.04 O238 Si32 -","4","0.5","","Xiaodong Shi; James C. Fettinger; Jeffery T. Davis","Homochiral G-Quadruplexes with Ba2+ but Not with K+: The Cation Programs Enantiomeric Self-Recognition","Journal of the American Chemical Society","2001","123","","6738","6739","10.1021/ja004330v","","","0.71073","MoKα","","0.0994","0.0804","","","0.205","0.2203","","","","","","1.057","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00","" "4115612","14.6594","0.0018","25.664","0.003","9.6242","0.0016","90","","90","","90","","3620.8","0.9","150","2","150","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C35 H26 Cl2 F12 N2 Pt -","- C35 H26 Cl2 F12 N2 Pt -","- C140 H104 Cl8 F48 N8 Pt4 -","4","0.5","","Lars Johansson; Olav B. Ryan; Christian Rømming; Mats Tilset","Unexpected Selectivities in C-H Activations of Toluene and p-Xylene at Cationic Platinum(II) Diimine Complexes. New Mechanistic Insight into Product-Determining Factors","Journal of the American Chemical Society","2001","123","","6579","6590","10.1021/ja010277e","","","0.71073","MoKα","","0.0679","0.0546","","","0.1204","0.129","","","","","","1.219","","","","has coordinates","178927","2020-10-21","18:00:00","" "4115613","9.1018","0.0007","9.7593","0.0007","16.2","0.001","90","","102.135","0.001","90","","1406.85","0.17","173","2","173","2","","","","","","","","7","P 1 21 1","P 2yb","4","00095","","","- C22 H28 F6 Fe N4 O6 S2 -","- C22 H28 F6 Fe N4 O6 S2 -","- C44 H56 F12 Fe2 N8 O12 S4 -","2","1","","Miquel Costas; Adrianne K. Tipton; Kui Chen; Du-Hwan Jo; Lawrence Que","Modeling Rieske Dioxygenases: The First Example of Iron-Catalyzed Asymmetric cis-Dihydroxylation of Olefins","Journal of the American Chemical Society","2001","123","","6722","6723","10.1021/ja015601k","","","0.71073","MoKα","","0.0319","0.0274","","","0.0606","0.0625","","","","","","1.032","","","","has coordinates","198632","2020-10-21","18:00:00","" "4115614","14.872","0.003","12.906","0.002","16.543","0.003","90","0.003","114.426","0.003","90","0.003","2891","0.9","173","2","173","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","00028","","","- C24 H32 F6 Fe N4 O6 S2 -","- C24 H32 F6 Fe N4 O6 S2 -","- C96 H128 F24 Fe4 N16 O24 S8 -","4","1","","Miquel Costas; Adrianne K. Tipton; Kui Chen; Du-Hwan Jo; Lawrence Que","Modeling Rieske Dioxygenases: The First Example of Iron-Catalyzed Asymmetric cis-Dihydroxylation of Olefins","Journal of the American Chemical Society","2001","123","","6722","6723","10.1021/ja015601k","","","0.71073","MoKα","","0.0688","0.059","","","0.1999","0.2084","","","","","","1.134","","","","has coordinates","178927","2020-10-21","18:00:00","" "4115615","8.9289","0.0005","14.1467","0.0008","18.5624","0.0011","90","","99.235","0.001","90","","2314.3","0.2","158","2","158","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C27 H31 N O5 -","- C27 H31 N O5 -","- C108 H124 N4 O20 -","4","1","","William H. Pearson; Yuan Mi; Ill Young Lee; Patrick Stoy","Total Synthesis of the Kopsialapidilecta Alkaloid (\±)-Lapidilectine B","Journal of the American Chemical Society","2001","123","","6724","6725","10.1021/ja016007d","","","0.71073","MoKα","","0.1931","0.0911","","0.1606","0.1272","","","","1.086","1.282","1.282","","","","","has coordinates","178927","2020-10-21","18:00:00","" "4115616","9.6777","0.0016","12.76","0.004","12.248","0.002","90","","90.975","0.014","90","","1512.3","0.6","80","2","80","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","hexachlorodiphenyldiazomethane","","","- C13 H4 Cl6 N2 -","- C13 H4 Cl6 N2 -","- C52 H16 Cl24 N8 -","4","1","","Masaki Kawano; Katsuyuki Hirai; Hideo Tomioka; Yuji Ohashi","Structure Analysis of a Transient Triplet Carbene Trapped in a Crystal","Journal of the American Chemical Society","2001","123","","6904","6908","10.1021/ja0106366","","","0.71073","MoKα","","0.0267","0.0218","","","0.0555","0.0567","","","","","","1.07","","","","has coordinates","201982","2020-10-21","18:00:00","" "4115617","9.731","0.002","12.813","0.004","12.254","0.003","90","","90.549","0.016","90","","1527.8","0.7","80","2","80","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C13 H4 Cl6 N2 -","- C13 H4 Cl6 N2 -","- C52 H16 Cl24 N8 -","4","1","","Masaki Kawano; Katsuyuki Hirai; Hideo Tomioka; Yuji Ohashi","Structure Analysis of a Transient Triplet Carbene Trapped in a Crystal","Journal of the American Chemical Society","2001","123","","6904","6908","10.1021/ja0106366","","","0.71073","MoKα","","0.0856","0.0418","","","0.0841","0.0949","","","","","","1.004","","","","has coordinates,has disorder","178927","2020-10-21","18:00:00","" "4115618","9.1478","0.0005","9.7682","0.0005","26.9267","0.0013","90","","93.805","0.001","90","","2400.8","0.2","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","(3R*,4R*)-3,4-epoxy-4-(hydroxydiphenyl)methyl-1-phenyl -3-trifluoromethyloct-1-yne","","- C28 H25 F3 O2 -","- C28 H25 F3 O2 -","- C112 H100 F12 O8 -","4","1","","Masaki Shimizu; Takuya Fujimoto; Hiroshi Minezaki; Takeshi Hata; Tamejiro Hiyama","New, General, and Stereoselective Synthesis of CF3-Containing Tri- and Tetrasubstituted Oxiranes and Tetrasubstituted Alkenes","Journal of the American Chemical Society","2001","123","","6947","6948","10.1021/ja016077k","","","0.71073","MoKα","","0.1064","0.0674","","","0.1923","0.2127","","","","","","0.966","","","","has coordinates","178927","2020-10-21","18:00:00","" "4115619","9.236","0.0004","9.8058","0.0005","26.6954","0.0013","90","","96.568","0.001","90","","2401.8","0.2","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","(3R*,4R*)-3,4-epoxy-4-(hydroxydiphenyl)methyl-1-phenyl -3-trifluoromethyloct-1-ene","","- C28 H27 F3 O2 -","- C28 H27 F3 O2 -","- C112 H108 F12 O8 -","4","1","","Masaki Shimizu; Takuya Fujimoto; Hiroshi Minezaki; Takeshi Hata; Tamejiro Hiyama","New, General, and Stereoselective Synthesis of CF3-Containing Tri- and Tetrasubstituted Oxiranes and Tetrasubstituted Alkenes","Journal of the American Chemical Society","2001","123","","6947","6948","10.1021/ja016077k","","","0.71073","MoKα","","0.0864","0.0649","","","0.1878","0.2085","","","","","","1.011","","","","has coordinates","178927","2020-10-21","18:00:00","" "4115620","5.9675","0.0005","17.107","0.0013","9.1531","0.0007","90","","104.289","0.002","90","","905.5","0.12","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C21 H19 F3 -","- C21 H19 F3 -","- C42 H38 F6 -","2","1","","Masaki Shimizu; Takuya Fujimoto; Hiroshi Minezaki; Takeshi Hata; Tamejiro Hiyama","New, General, and Stereoselective Synthesis of CF3-Containing Tri- and Tetrasubstituted Oxiranes and Tetrasubstituted Alkenes","Journal of the American Chemical Society","2001","123","","6947","6948","10.1021/ja016077k","","","0.71073","MoKα","","0.0818","0.0635","","","0.1966","0.2127","","","","","","1.025","","","","has coordinates","201982","2020-10-21","18:00:00","" "4115621","16.2553","0.0007","16.2553","0.0007","15.0336","0.001","90","","90","","90","","3972.4","0.4","173","2","173","2","","","","","","","","3","P 42/n m c :2","-P 4ac 2a","137","","","","- C38 H60 O16 -","- C38 H52 O16 -","- C152 H208 O64 -","4","0.25","","Jerry L. Atwood; Leonard J. Barbour; Timothy J. Ness; Colin L. Raston; Paul L. Raston","A Well-Resolved Ice-like (H2O)8 Cluster in an Organic Supramolecular Complex","Journal of the American Chemical Society","2001","123","","7192","7193","10.1021/ja015757k","","","0.71073","MoKα","","0.084","0.0441","","","0.1096","0.1252","","","","","","0.948","","","","has coordinates","178927","2020-10-21","18:00:00","" "4115622","6.82","0.002","10.45","0.004","10.738","0.003","85.93","0.01","80.161","0.02","87.029","0.02","751.5","0.4","293","","293","","","","","","","","","4","P -1","-P 1","2","","1,5-dimethyl-3-(2-pyridyl)-6-oxoverdazyl: hydroquionone, 1:1 cocrystal","","- C15 H16 N5 O3 -","- C15 H16 N5 O3 -","- C30 H32 N10 O6 -","2","1","","Robin G. Hicks; Martin T. Lemaire; Lars Öhrström; John F. Richardson; Laurence K. Thompson; Zhiqiang Xu","Strong Supramolecular-Based Magnetic Exchange in π-Stacked Radicals. Structure and Magnetism of a Hydrogen-Bonded Verdazyl Radical: Hydroquinone Molecular Solid","Journal of the American Chemical Society","2001","123","","7154","7159","10.1021/ja010725i","","","0.7093","MolybdenumKα","","0.05","0.05","","0.081","0.081","","","","","1.04","1.04","","","","","has coordinates","176467","2020-10-21","18:00:00","" "4115623","12.0016","0.0016","17.7331","0.001","15.008","0.002","90","","115.263","0.01","90","","2888.6","0.6","150","","150","","","","","","","","see text","8","P 1 21/c 1","-P 2ybc","14","","","","- C21 H28 Br F3 N2 O4 Pt S -","- C21 H28 Br F3 N2 O4 Pt S -","- C84 H112 Br4 F12 N8 O16 Pt4 S4 -","4","1","","Martin Albrecht; Anthony L. Spek; Gerard van Koten","Carenium-Calkyl Bond Making and Breaking: Key Process in the Platinum-Mediated Caryl-Calkyl Bond Formation. Analogies to Organic Electrophilic Aromatic Substitution","Journal of the American Chemical Society","2001","123","","7233","7246","10.1021/ja003685b","","","0.71073","MoKα","","0.0544","0.0395","","","0.0922","0.0962","","","","","","1.006","","","","has coordinates","178927","2020-10-21","18:00:00","" "4115624","10.9657","0.0012","15.9029","0.0014","11.9313","0.0011","90","","93.304","0.008","90","","2077.2","0.3","150","","150","","","","","","","","see text","8","P 1 21/c 1","-P 2ybc","14","","","","- C15 H24 F3 I N2 O4 Pt S -","- C15 H24 F3 I N2 O4 Pt S -","- C60 H96 F12 I4 N8 O16 Pt4 S4 -","4","1","","Martin Albrecht; Anthony L. Spek; Gerard van Koten","Carenium-Calkyl Bond Making and Breaking: Key Process in the Platinum-Mediated Caryl-Calkyl Bond Formation. Analogies to Organic Electrophilic Aromatic Substitution","Journal of the American Chemical Society","2001","123","","7233","7246","10.1021/ja003685b","","","0.71073","MoKα","","0.0605","0.04","","","0.0876","0.0959","","","","","","1.046","","","","has coordinates","178927","2020-10-21","18:00:00","" "4115625","11.168","0.0015","15.415","0.003","16.456","0.003","90","","90","","90","","2833","0.8","193","2","193","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","Tp'Rh(CNneopentyl)(ethyl)Cl","","","- C23 H38 B Cl N7 Rh -","- C23 H38 B Cl N7 Rh -","- C92 H152 B4 Cl4 N28 Rh4 -","4","1","","Todd O. Northcutt; Douglas D. Wick; Andrew J. Vetter; William D. Jones","Investigation of the Mechanism of Alkane Reductive Elimination and Skeletal Isomerization in Tp'Rh(CNneopentyl)(R)H Complexes: The Role of Alkane Complexes","Journal of the American Chemical Society","2001","123","","7257","7270","10.1021/ja003944x","","","0.71073","MoKα","","0.0537","0.0365","","0.0962","0.0843","","","","0.616","0.594","0.594","","","","","has coordinates","178927","2020-10-21","18:00:00","" "4115626","16.6278","0.0003","13.1465","0.0003","17.4185","0.0003","90","","116.338","0.001","90","","3412.38","0.12","193","2","193","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","Tp'Rh(CNneopentyl)(n-hexyl)Cl","","","- C28 H48 B Cl3 N7 Rh -","- C28 H48 B Cl3 N7 Rh -","- C112 H192 B4 Cl12 N28 Rh4 -","4","1","","Todd O. Northcutt; Douglas D. Wick; Andrew J. Vetter; William D. Jones","Investigation of the Mechanism of Alkane Reductive Elimination and Skeletal Isomerization in Tp'Rh(CNneopentyl)(R)H Complexes: The Role of Alkane Complexes","Journal of the American Chemical Society","2001","123","","7257","7270","10.1021/ja003944x","","","0.71073","MoKα","","0.0726","0.0486","","0.1257","0.1151","","","","1.096","1.159","1.159","","","","","has coordinates","178927","2020-10-21","18:00:00","" "4115627","8.379","0.004","13.572","0.006","13.958","0.005","90","","102.78","0.04","90","","1548","1.2","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C15 H13 Cl Mo N2 O2 -","- C15.556 H14.668 Cl0.444 Mo N2 O2 -","- C62.224 H58.672 Cl1.776 Mo4 N8 O8 -","4","1","","Julio Pérez; Lucía Riera; Víctor Riera; Santiago García-Granda; Esther García-Rodríguez","Reactivity of [MoX(η3-allyl)(CO)2(N-N)] Complexes with Simple, Nonstabilized Carbanions","Journal of the American Chemical Society","2001","123","","7469","7470","10.1021/ja015538z","","","0.71073","MoKα","","0.1063","0.0415","","","0.1008","0.1234","","","","","","1.008","","","","has coordinates,has disorder","178927","2020-10-21","18:00:00","" "4115628","9.32","0.06","12.351","0.01","14.38","0.06","90","","100.8","0.5","90","","1626","13","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C18 H16 Cl Mo N2 O2 -","- C17.246 H13.738 Cl0.754 Mo N2 O2 -","- C68.984 H54.952 Cl3.016 Mo4 N8 O8 -","4","1","","Julio Pérez; Lucía Riera; Víctor Riera; Santiago García-Granda; Esther García-Rodríguez","Reactivity of [MoX(η3-allyl)(CO)2(N-N)] Complexes with Simple, Nonstabilized Carbanions","Journal of the American Chemical Society","2001","123","","7469","7470","10.1021/ja015538z","","","0.71073","MoKα","","0.098","0.0471","","","0.1215","0.144","","","","","","1.064","","","","has coordinates,has disorder","178927","2020-10-21","18:00:00","" "4115629","14.2184","0.0011","20.7021","0.0015","7.5034","0.0006","90","","98.479","0.002","90","","2184.5","0.3","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C50 H52 N4 O8 -","- C50 H52 N4 O8 -","- C100 H104 N8 O16 -","2","0.5","","Yong S. Chong; Mark D. Smith; Ken D. Shimizu","A Conformationally Programmable Ligand","Journal of the American Chemical Society","2001","123","","7463","7464","10.1021/ja0158713","","","0.71073","MoKα","","0.0609","0.0533","","","0.1554","0.162","","","","","","1.056","","","","has coordinates","178927","2020-10-21","18:00:00","" "4115630","11.2844","0.0009","11.4009","0.0009","18.2311","0.0014","80.542","0.001","73.825","0.002","82.607","0.002","2213.5","0.3","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C49 H48 Cl2 N4 O7 Pd -","- C49 H48.006 Cl2 N4 O7 Pd -","- C98 H96.012 Cl4 N8 O14 Pd2 -","2","1","","Yong S. Chong; Mark D. Smith; Ken D. Shimizu","A Conformationally Programmable Ligand","Journal of the American Chemical Society","2001","123","","7463","7464","10.1021/ja0158713","","","0.71073","MoKα","","0.0655","0.0466","","","0.1118","0.1184","","","","","","0.984","","","","has coordinates","178927","2020-10-21","18:00:00","" "4115631","14.4792","0.0002","14.5693","0.0002","19.7456","0.0003","90","","90","","90","","4165.37","0.1","150","1","150","1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","RuH2(R-binap)(tmen)","","","- C50 H50 N2 P2 Ru -","- C50 H50 N2 P2 Ru -","- C200 H200 N8 P8 Ru4 -","4","1","","Kamaluddin Abdur-Rashid; Michael Faatz; Alan J. Lough; Robert H. Morris","Catalytic Cycle for the Asymmetric Hydrogenation of Prochiral Ketones to Chiral Alcohols: Direct Hydride and Proton Transfer from Chiral Catalysts trans-Ru(H)2(diphosphine)(diamine) to Ketones and Direct Addition of Dihydrogen to the Resulting Hydridoamido Complexes","Journal of the American Chemical Society","2001","123","","7473","7474","10.1021/ja015902u","","","0.71073","MoKα","","0.0435","0.0342","","","0.0699","0.0739","","","","","","1.039","","","","has coordinates","176467","2020-10-21","18:00:00","" "4115632","11.196","0.0008","11.196","0.0008","72.929","0.0018","90","","90","","90","","9141.7","1","150","1","150","1","","","","","","","","6","P 41 21 2","P 4abw 2nw","92","RuHCl(R-binap)(tmen)","","","- C50 H49 Cl N2 P2 Ru -","- C50 H49 Cl N2 P2 Ru -","- C400 H392 Cl8 N16 P16 Ru8 -","8","1","","Kamaluddin Abdur-Rashid; Michael Faatz; Alan J. Lough; Robert H. Morris","Catalytic Cycle for the Asymmetric Hydrogenation of Prochiral Ketones to Chiral Alcohols: Direct Hydride and Proton Transfer from Chiral Catalysts trans-Ru(H)2(diphosphine)(diamine) to Ketones and Direct Addition of Dihydrogen to the Resulting Hydridoamido Complexes","Journal of the American Chemical Society","2001","123","","7473","7474","10.1021/ja015902u","","","0.7107","MoKα","","0.0879","0.0808","","","0.1749","0.1777","","","","","","1.219","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00","" "4115633","17.833","0.002","21.556","0.005","9.518","0.002","90","","90","","90","","3658.8","1.2","20","","20","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C43 H39 Fe N2 O3 P -","- C172 H156 Fe4 N8 O12 P4 -","- C172 H156 Fe4 N8 O12 P4 -","","","","Shu-Li You; Xia-Zhen Zhu; Yu-Mei Luo; Xue-Long Hou; Li-Xin Dai","Highly Regio- and Enantioselective Pd-Catalyzed Allylic Alkylation and Amination of Monosubstituted Allylic Acetates with Novel Ferrocene P,N-Ligands","Journal of the American Chemical Society","2001","123","","7471","7472","10.1021/ja016121w","","","0.7107","MoKalpha","","","0.051","","","0.052","","","","","1.43","1.43","","","","","has coordinates","176467","2020-10-21","18:00:00","" "4115634","13.701","0.003","19.894","0.002","13.366","0.003","90","","90","","90","","3643.1","1.2","20","","20","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C40 H41 Fe N2 O3 P -","- C160 H164 Fe4 N8 O12 P4 -","- C160 H164 Fe4 N8 O12 P4 -","","","","Shu-Li You; Xia-Zhen Zhu; Yu-Mei Luo; Xue-Long Hou; Li-Xin Dai","Highly Regio- and Enantioselective Pd-Catalyzed Allylic Alkylation and Amination of Monosubstituted Allylic Acetates with Novel Ferrocene P,N-Ligands","Journal of the American Chemical Society","2001","123","","7471","7472","10.1021/ja016121w","","","0.7107","MoKalpha","","","0.04","","","0.043","","","","","1.44","1.44","","","","","has coordinates","176467","2020-10-21","18:00:00","" "4115635","11.146","0.003","14.417","0.002","11.537","0.003","90","","103.18","0.02","90","","1805.1","0.7","20","","20","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C41 H43 Fe N2 O3 P -","- C82 H86 Fe2 N4 O6 P2 -","- C82 H86 Fe2 N4 O6 P2 -","","","","Shu-Li You; Xia-Zhen Zhu; Yu-Mei Luo; Xue-Long Hou; Li-Xin Dai","Highly Regio- and Enantioselective Pd-Catalyzed Allylic Alkylation and Amination of Monosubstituted Allylic Acetates with Novel Ferrocene P,N-Ligands","Journal of the American Chemical Society","2001","123","","7471","7472","10.1021/ja016121w","","","0.7107","MoKalpha","","","0.053","","","0.053","","","","","1.63","1.63","","","","","has coordinates","176467","2020-10-21","18:00:00","" "4115636","11.69","0.001","11.872","0.002","13.39","0.001","90","","92.229","0.008","90","","1856.9","0.4","20","","20","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C44 H41 Fe N2 O3 P -","- C88 H82 Fe2 N4 O6 P2 -","- C88 H82 Fe2 N4 O6 P2 -","","","","Shu-Li You; Xia-Zhen Zhu; Yu-Mei Luo; Xue-Long Hou; Li-Xin Dai","Highly Regio- and Enantioselective Pd-Catalyzed Allylic Alkylation and Amination of Monosubstituted Allylic Acetates with Novel Ferrocene P,N-Ligands","Journal of the American Chemical Society","2001","123","","7471","7472","10.1021/ja016121w","","","0.7107","MoKalpha","","","0.042","","","0.045","","","","","1.42","1.42","","","","","has coordinates","176467","2020-10-21","18:00:00","" "4115637","17.917","0.002","19.423","0.007","9.987","0.001","90","","90","","90","","3475.5","1.4","20","","20","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C40 H41 Fe N2 O3 P -","- C160 H164 Fe4 N8 O12 P4 -","- C160 H164 Fe4 N8 O12 P4 -","","","","Shu-Li You; Xia-Zhen Zhu; Yu-Mei Luo; Xue-Long Hou; Li-Xin Dai","Highly Regio- and Enantioselective Pd-Catalyzed Allylic Alkylation and Amination of Monosubstituted Allylic Acetates with Novel Ferrocene P,N-Ligands","Journal of the American Chemical Society","2001","123","","7471","7472","10.1021/ja016121w","","","0.7107","MoKalpha","","","0.038","","","0.04","","","","","1.27","1.27","","","","","has coordinates","176467","2020-10-21","18:00:00","" "4115638","20.1716","0.0005","20.1716","0.0005","41.23","0.0017","90","","90","","90","","16776.2","0.9","298","2","298","2","","","","","","","","6","P 41 21 2","P 4abw 2nw","92","","","","- C61 H56 F24 Mn2 N4 O12 -","- C61 H56 F24 Mn2 N4 O12 -","- C488 H448 F192 Mn16 N32 O96 -","8","1","","Fabrice Mathevet; Dominique Luneau","Interpenetrated 3D Polymeric Metal-Radical Networks Built from a Tetranitroxide Radical and Bis(hexafluoroacethylacetonato) Manganese(II)","Journal of the American Chemical Society","2001","123","","7465","7466","10.1021/ja016133h","","","0.71073","MoKα","","0.2469","0.0761","","","0.2138","0.2495","","","","","","0.98","","","","has coordinates","178927","2020-10-21","18:00:00","" "4115639","12.795","0.003","13.032","0.003","20.864","0.005","81.911","0.005","84.45","0.005","70.545","0.004","3243","1.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H10 Ag16 F36 O29 -","- C28 Ag16 F36 O29 -","- C56 Ag32 F72 O58 -","2","1","","Quan-Ming Wang; Thomas C. W. Mak","Argentophilicity and Solvent-Induced Structural Diversity in Double Salts of Silver Acetylide with Silver Perfluoroalkyl Carboxylates","Journal of the American Chemical Society","2001","123","","7594","7600","10.1021/ja0043441","","","0.71073","MoKα","","0.15","0.075","","","0.1866","0.2216","","","","","","0.91","","","","has coordinates","178927","2020-10-21","18:00:00","" "4115640","35.465","0.003","7.8927","0.0006","31.241","0.002","90","","121.858","0.001","90","","7427.5","1","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C20 H9 Ag8 F18 N3 O12 -","- C21 Ag8 F18 N2 O12 -","- C168 Ag64 F144 N16 O96 -","8","1","","Quan-Ming Wang; Thomas C. W. Mak","Argentophilicity and Solvent-Induced Structural Diversity in Double Salts of Silver Acetylide with Silver Perfluoroalkyl Carboxylates","Journal of the American Chemical Society","2001","123","","7594","7600","10.1021/ja0043441","","","0.71073","MoKα","","0.1195","0.0622","","","0.1791","0.2104","","","","","","0.944","","","","has coordinates","178927","2020-10-21","18:00:00","" "4115641","17.205","0.002","32.735","0.004","27.257","0.004","90","","106.021","0.003","90","","14755","3","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C75 H40 Ag31 F69 N7 O48.5 -","- C75 Ag31 F69 N7 O48.5 -","- C300 Ag124 F276 N28 O194 -","4","1","","Quan-Ming Wang; Thomas C. W. Mak","Argentophilicity and Solvent-Induced Structural Diversity in Double Salts of Silver Acetylide with Silver Perfluoroalkyl Carboxylates","Journal of the American Chemical Society","2001","123","","7594","7600","10.1021/ja0043441","","","0.71073","MoKα","","0.1502","0.0595","","","0.1306","0.1559","","","","","","0.908","","","","has coordinates","176467","2020-10-21","18:00:00","" "4115642","15.6","0.0012","16.9494","0.0013","17.1426","0.0013","111.716","0.002","94.238","0.002","104.719","0.002","4001.1","0.5","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C32 H19 Ag12 F50 O29.5 -","- C32 Ag12 F50 O29.5 -","- C64 Ag24 F100 O59 -","2","1","","Quan-Ming Wang; Thomas C. W. Mak","Argentophilicity and Solvent-Induced Structural Diversity in Double Salts of Silver Acetylide with Silver Perfluoroalkyl Carboxylates","Journal of the American Chemical Society","2001","123","","7594","7600","10.1021/ja0043441","","","0.71073","MoKα","","0.1348","0.0456","","","0.1062","0.1189","","","","","","0.75","","","","has coordinates","176467","2020-10-21","18:00:00","" "4115643","16.083","0.0012","19.9707","0.0015","21.994","0.0016","90","","94.935","0.002","90","","7038","0.9","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C35 H11 Ag11 F45 N3 O19 -","- C35 Ag11 F45 N3 O19 -","- C140 Ag44 F180 N12 O76 -","4","1","","Quan-Ming Wang; Thomas C. W. Mak","Argentophilicity and Solvent-Induced Structural Diversity in Double Salts of Silver Acetylide with Silver Perfluoroalkyl Carboxylates","Journal of the American Chemical Society","2001","123","","7594","7600","10.1021/ja0043441","","","0.71073","MoKα","","0.0939","0.0478","","","0.1241","0.1338","","","","","","0.816","","","","has coordinates","178927","2020-10-21","18:00:00","" "4115644","11.685","0.003","16.439","0.004","25.22","0.006","90","","93.486","0.005","90","","4836","2","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C26 H10 Ag8 F30 N2 O12 -","- C26 Ag8 F30 N2 O12 -","- C104 Ag32 F120 N8 O48 -","4","1","","Quan-Ming Wang; Thomas C. W. Mak","Argentophilicity and Solvent-Induced Structural Diversity in Double Salts of Silver Acetylide with Silver Perfluoroalkyl Carboxylates","Journal of the American Chemical Society","2001","123","","7594","7600","10.1021/ja0043441","","","0.71073","MoKα","","0.1365","0.0504","","","0.116","0.1442","","","","","","0.864","","","","has coordinates","178927","2020-10-21","18:00:00","" "4115645","7.225","0.0006","7.225","0.0006","16.438","0.002","90","","90","","120","","743.11","0.13","153","2","153","2","","","","","","","","7","P 31 2 1","P 31 2""","152","none","","","- C2 H4 F2 Mo0.5 N O2 Zn0.5 -","- C2 H4 F2 Mo0.5 N O2 Zn0.5 -","- C12 H24 F12 Mo3 N6 O12 Zn3 -","6","1","","Paul A. Maggard; Charlotte L. Stern; Kenneth R. Poeppelmeier","Understanding the Role of Helical Chains in the Formation of Noncentrosymmetric Solids","Journal of the American Chemical Society","2001","123","","7742","7743","10.1021/ja016055y","","","0.71073","MoKα","","0.0234","0.0229","","","0.0549","0.0556","","","","","","0.553","","","","has coordinates","176467","2020-10-21","18:00:00","" "4115646","9.4424","0.0015","9.4424","0.0015","9.4424","0.0015","97.93","0.01","97.93","0.01","97.93","0.01","815.2","0.2","393","2","393","2","","","","","","","","5","R 3 :R","P 3*","146","","","","- C30 H41 K O6 Si -","- C30 H43 K O6 Si -","- C30 H43 K O6 Si -","1","0.333333","","Michael J. Bearpark; G. Sean McGrady; Paul D. Prince; Jonathan W. Steed","The First Structurally Characterized Hypervalent Silicon Hydride: Unexpected Molecular Geometry and Si-H...K Interactions","Journal of the American Chemical Society","2001","123","","7736","7737","10.1021/ja0162616","","","0.71073","MoKα","","0.0862","0.0462","","","0.079","0.0933","","","","","","1.024","","","","has coordinates","178927","2020-10-21","18:00:00","" "4115647","9.3861","0.0005","20.2252","0.001","16.5969","0.001","90","","103.54","0.003","90","","3063.1","0.3","125","2","125","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C30 H41 K O6 Si -","- C30 H41 K O6 Si -","- C120 H164 K4 O24 Si4 -","4","1","","Michael J. Bearpark; G. Sean McGrady; Paul D. Prince; Jonathan W. Steed","The First Structurally Characterized Hypervalent Silicon Hydride: Unexpected Molecular Geometry and Si-H...K Interactions","Journal of the American Chemical Society","2001","123","","7736","7737","10.1021/ja0162616","","","0.71073","MoKα","","0.1095","0.0527","","","0.1039","0.1232","","","","","","1.018","","","","has coordinates","178927","2020-10-21","18:00:00","" "4115648","26.574","0.004","10.2177","0.0015","28.363","0.007","90","","92.702","0.002","90","","7693","2","183","2","183","2","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C78 H70 Cl12 I2 O6 W -","- C78 H70 Cl12 I2 O6 W -","- C312 H280 Cl48 I8 O24 W4 -","4","0.5","","Arkadi Vigalok; Zhengguo Zhu; Timothy M. Swager","Conducting Polymers Incorporating Tungsten-Capped Calixarenes","Journal of the American Chemical Society","2001","123","","7917","7918","10.1021/ja0160142","","","0.71073","MoKα","","0.1175","0.0778","","","0.197","0.2144","","","","","","1.072","","","","has coordinates","178927","2020-10-21","18:00:00","" "4115649","12.279","0.003","12.373","0.004","15.036","0.004","77.306","0.005","85.491","0.005","78.231","0.005","2180.3","1.1","183","2","183","2","","","","","","","","6","P -1","-P 1","2","","","","- C48 H36 Cl4 O10 S2 W -","- C48 H36 Cl4 O10 S2 W -","- C96 H72 Cl8 O20 S4 W2 -","2","1","","Arkadi Vigalok; Zhengguo Zhu; Timothy M. Swager","Conducting Polymers Incorporating Tungsten-Capped Calixarenes","Journal of the American Chemical Society","2001","123","","7917","7918","10.1021/ja0160142","","","0.71073","MoKα","","0.0621","0.051","","","0.1172","0.1231","","","","","","1.079","","","","has coordinates","178927","2020-10-21","18:00:00","" "4115650","19.7106","0.0018","22.1508","0.0019","27.13","0.002","90","","90","","90","","11845.1","1.7","295","2","295","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C28 H70 Cl16 N6 Si8 -","- C28 H70 Cl16 N6 Si8 -","- C224 H560 Cl128 N48 Si64 -","8","1","","Seok-Bong Choi; Beon-Kyu Kim; Philip Boudjouk; Dean G. Grier","Amine-Promoted Disproportionation and Redistribution of Trichlorosilane: Formation of Tetradecachlorocyclohexasilane Dianion1","Journal of the American Chemical Society","2001","123","","8117","8118","10.1021/ja002831a","","","0.71073","MoKα","","0.1329","0.0638","","","0.1579","0.1967","","","","","","1.045","","","","has coordinates","178927","2020-10-21","18:00:00","" "4115651","8.8594","0.0009","9.8398","0.001","10.4018","0.0011","117.115","0.002","102.521","0.002","98.701","0.002","754.58","0.14","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H48 Li2 N2 O2 -","- C30 H48 Li2 N2 O2 -","- C30 H48 Li2 N2 O2 -","1","0.5","","Hans J. Reich; Wayne S. Goldenberg; Birgir Ö. Gudmundsson; Aaron W. Sanders; Klaus J. Kulicke; Katya Simon; Ilia A. Guzei","Amine-Chelated Aryllithium Reagents Structure and Dynamics","Journal of the American Chemical Society","2001","123","","8067","8079","10.1021/ja010489b","","","0.71073","MoKα","","0.0742","0.0524","","","0.1497","0.1616","","","","","","1.013","","","","has coordinates","178927","2020-10-21","18:00:00","" "4115652","14.4314","0.001","14.9036","0.0011","19.5363","0.0013","72.994","0.001","72.148","0.002","69.476","0.001","3664.1","0.4","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C72 H107 Li6 O5 -","- C72 H106 Li6 O5 -","- C144 H212 Li12 O10 -","2","1","","Bao-Tsan Ko; Chu-Chieh Lin","Synthesis, Characterization, and Catalysis of Mixed-Ligand Lithium Aggregates, Excellent Initiators for the Ring-Opening Polymerization of l-Lactide","Journal of the American Chemical Society","2001","123","","7973","7977","10.1021/ja010604i","","","0.71073","MoKα","","0.1723","0.0828","","","0.2131","0.2453","","","","","","1.127","","","","has coordinates","178927","2020-10-21","18:00:00","" "4115653","15.116","0.003","15.529","0.003","18.533","0.004","112.709","0.004","96.635","0.004","109.956","0.004","3615.5","1.3","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C74 H102 Li6 O6 -","- C74 H102 Li6 O6 -","- C148 H204 Li12 O12 -","2","1","","Bao-Tsan Ko; Chu-Chieh Lin","Synthesis, Characterization, and Catalysis of Mixed-Ligand Lithium Aggregates, Excellent Initiators for the Ring-Opening Polymerization of l-Lactide","Journal of the American Chemical Society","2001","123","","7973","7977","10.1021/ja010604i","","","0.71073","MoKα","","0.1502","0.0719","","","0.1886","0.2247","","","","","","1.054","","","","has coordinates","178927","2020-10-21","18:00:00","" "4115654","14.3036","0.0015","18.577","0.002","26.811","0.003","90","","98.519","0.002","90","","7045.6","1.3","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C68 H106 Li6 O8 -","- C68 H106 Li6 O8 -","- C272 H424 Li24 O32 -","4","1","","Bao-Tsan Ko; Chu-Chieh Lin","Synthesis, Characterization, and Catalysis of Mixed-Ligand Lithium Aggregates, Excellent Initiators for the Ring-Opening Polymerization of l-Lactide","Journal of the American Chemical Society","2001","123","","7973","7977","10.1021/ja010604i","","","0.71073","MoKα","","0.2154","0.0759","","","0.1824","0.2353","","","","","","0.927","","","","has coordinates","178927","2020-10-21","18:00:00","" "4115655","15.5294","0.0009","20.5554","0.0011","13.9577","0.0007","90","","91.62","0.002","90","","4453.7","0.4","165","2","165","2","","","","","","","synthetic","6","C 1 2/m 1","-C 2y","12","","","","- C54 H114 N6 O3 Re6 Se8 -","- C50 N9 O3 Re6 Se8 -","- C100 N18 O6 Re12 Se16 -","2","0.25","","Miriam V. Bennett; Laurance G. Beauvais; Matthew P. Shores; Jeffrey R. Long","Expanded Prussian Blue Analogues Incorporating [Re6Se8(CN)6]3-/4- Clusters: Adjusting Porosity via Charge Balance","Journal of the American Chemical Society","2001","123","","8022","8032","10.1021/ja0110473","","","0.71073","MoKα","","0.0974","0.0665","","0.1849","0.1713","","","","0.917","1.139","1.139","","","","","has coordinates","178927","2020-10-21","18:00:00","" "4115656","14.2455","0.001","14.2455","0.001","14.2455","0.001","90","","90","","90","","2890.9","0.4","174","2","174","2","","","","","","","synthetic","7","F m -3 m","-F 4 2 3","225","","","","- C18 H72 Fe4 N18 O36 Re18 Se24 -","- C18 Fe4 N18 O34.8 Re18 Se24 -","- C18 Fe4 N18 O34.8 Re18 Se24 -","1","0.00520833","","Miriam V. Bennett; Laurance G. Beauvais; Matthew P. Shores; Jeffrey R. Long","Expanded Prussian Blue Analogues Incorporating [Re6Se8(CN)6]3-/4- Clusters: Adjusting Porosity via Charge Balance","Journal of the American Chemical Society","2001","123","","8022","8032","10.1021/ja0110473","","","0.71073","MoKα","","0.0289","0.0245","","0.0672","0.0659","","","","1.148","1.23","1.23","","","","","has coordinates","178927","2020-10-21","18:00:00","" "4115657","14.23659","0.00021","14.23659","","14.23659","","90","","90","","90","","2885.48","0.04","","","","","","","","","","","","6","F m -3 m","-F 4 2 3","225","","","","- C4 N4 Ni O11.45 Re4 Se5.33 -","- C4.00002 N4.00002 Ni O11.4533 Re4.00002 Se5.33336 -","- C16.0001 N16.0001 Ni4 O45.8131 Re16.0001 Se21.3334 -","4","0.0208333","","Miriam V. Bennett; Laurance G. Beauvais; Matthew P. Shores; Jeffrey R. Long","Expanded Prussian Blue Analogues Incorporating [Re6Se8(CN)6]3-/4- Clusters: Adjusting Porosity via Charge Balance","Journal of the American Chemical Society","2001","123","","8022","8032","10.1021/ja0110473","powder diffraction","","","","","","","","","","","","","","","","","","","","has coordinates,has Fobs","176467","2020-10-21","18:00:00","" "4115658","14.13025","0.00012","14.13025","","14.13025","","90","","90","","90","","2821.3","0.02","","","","","","","","","","","","6","F m -3 m","-F 4 2 3","225","","","","- C6 Ga N6 O8 Re6 Se8 -","- C6 Ga N6 O8 Re6 Se8 -","- C24 Ga4 N24 O32 Re24 Se32 -","4","0.0208333","","Miriam V. Bennett; Laurance G. Beauvais; Matthew P. Shores; Jeffrey R. Long","Expanded Prussian Blue Analogues Incorporating [Re6Se8(CN)6]3-/4- Clusters: Adjusting Porosity via Charge Balance","Journal of the American Chemical Society","2001","123","","8022","8032","10.1021/ja0110473","powder diffraction","","","","","","","","","","","","","","","","","","","","has coordinates,has Fobs","176467","2020-10-21","18:00:00","" "4115659","12.7255","0.001","12.7255","0.001","13.6945","0.0015","90","","90","","120","","1920.6","0.3","157","2","157","2","","","","","","","synthetic","7","P 31 2 1","P 31 2""","152","","","","- C6 H9 Fe N6 O4 Re6 Se8 -","- C6 Fe N6 O4 Re6 Se8 -","- C18 Fe3 N18 O12 Re18 Se24 -","3","0.5","","Miriam V. Bennett; Laurance G. Beauvais; Matthew P. Shores; Jeffrey R. Long","Expanded Prussian Blue Analogues Incorporating [Re6Se8(CN)6]3-/4- Clusters: Adjusting Porosity via Charge Balance","Journal of the American Chemical Society","2001","123","","8022","8032","10.1021/ja0110473","","","0.71073","MoKα","","0.0773","0.0353","","0.0518","0.047","","","","0.84","0.959","0.959","","","","","has coordinates","178927","2020-10-21","18:00:00","" "4115660","8.643","0.002","15.147","0.003","9.364","0.002","90","","113.28","0.03","90","","1126.1","0.5","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C11 H16 N2 O -","- C11 H16 N2 O -","- C44 H64 N8 O4 -","4","1","","Helfried Neumann; Axel Jacobi von Wangelin; Dirk Gördes; Anke Spannenberg; Matthias Beller","A New Multicomponent Coupling of Aldehydes, Amides, and Dienophiles: Atom-Efficient One-Pot Synthesis of Highly Substituted Cyclohexenes and Cyclohexadienes","Journal of the American Chemical Society","2001","123","","8398","8399","10.1021/ja010503k","","","0.71073","MoKα","","0.0945","0.0562","","0.1614","0.1465","","","","0.892","1.104","1.104","","","","","has coordinates","178927","2020-10-21","18:00:00","" "4115661","12.245","0.003","16.533","0.004","21.36","0.004","90","","96.348","0.005","90","","4297.7","1.7","150","","150","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C41 H75 B F4 N2 P2 Pt -","- C41 H75 B F4 N2 P2 Pt -","- C164 H300 B4 F16 N8 P8 Pt4 -","4","1","","David S. McGuinness; Kingsley J. Cavell; Brian F. Yates; Brian W. Skelton; Allan H. White","Oxidative Addition of the Imidazolium Cation to Zerovalent Ni, Pd, and Pt: A Combined Density Functional and Experimental Study","Journal of the American Chemical Society","2001","123","","8317","8328","10.1021/ja010628p","","","0.71073","MoKα","","0.074","0.038","","0.044","","0.04","","","1.035","","","1.155","","","","has coordinates","176432","2020-10-21","18:00:00","" "4115662","18.989","0.001","15.97","0.001","15.586","0.001","90","","90","","90","","4726.5","0.5","150","","150","","","","","","","","","9","P n m a","-P 2ac 2n","62","","","","- C45 H46 B Cl4 F4 I N2 P2 Pt -","- C45 H46 B Cl4 F4 I N2 P2 Pt -","- C180 H184 B4 Cl16 F16 I4 N8 P8 Pt4 -","4","0.5","","David S. McGuinness; Kingsley J. Cavell; Brian F. Yates; Brian W. Skelton; Allan H. White","Oxidative Addition of the Imidazolium Cation to Zerovalent Ni, Pd, and Pt: A Combined Density Functional and Experimental Study","Journal of the American Chemical Society","2001","123","","8317","8328","10.1021/ja010628p","","","0.71073","MoKα","","0.084","0.045","","0.056","","0.053","","","1.23","","","1.419","","","","has coordinates","176432","2020-10-21","18:00:00","" "4115663","13.479","0.0007","19.785","0.001","15.6967","0.0009","90","","90","","90","","4186","0.4","150","","150","","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C43 H62 Cl2 O P2 Pd -","- C43 H62 Cl2 O P2 Pd -","- C172 H248 Cl8 O4 P8 Pd4 -","4","1","","David S. McGuinness; Kingsley J. Cavell; Brian F. Yates; Brian W. Skelton; Allan H. White","Oxidative Addition of the Imidazolium Cation to Zerovalent Ni, Pd, and Pt: A Combined Density Functional and Experimental Study","Journal of the American Chemical Society","2001","123","","8317","8328","10.1021/ja010628p","","","0.71073","MoKα","","0.067","0.046","","0.056","","0.05","","","1.573","","","1.599","","","","has coordinates","176432","2020-10-21","18:00:00","" "4115664","11.5338","0.0007","15.0977","0.0009","15.1892","0.0009","85.795","0.002","75.59","0.002","75.522","0.002","2480.2","0.3","150","","150","","","","","","","","","8","P -1","-P 1","2","","","","- C43 H79 B Cl4 F4 N2 P2 Pt -","- C43 H79 B Cl4 F4 N2 P2 Pt -","- C86 H158 B2 Cl8 F8 N4 P4 Pt2 -","2","1","","David S. McGuinness; Kingsley J. Cavell; Brian F. Yates; Brian W. Skelton; Allan H. White","Oxidative Addition of the Imidazolium Cation to Zerovalent Ni, Pd, and Pt: A Combined Density Functional and Experimental Study","Journal of the American Chemical Society","2001","123","","8317","8328","10.1021/ja010628p","","","0.71073","MoKα","","0.086","0.045","","0.043","","0.039","","","0.949","","","1.061","","","","has coordinates","176432","2020-10-21","18:00:00","" "4115665","9.8468","0.0005","14.0391","0.0007","16.0009","0.0008","90","","90","","90","","2211.97","0.19","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","Dichloro-{2-[2-(ethenyloxy)ethyl]pyridine}palladium(II)","","- C9 H11 Cl2 N O Pd -","- C9 H11 Cl2 N O Pd -","- C72 H88 Cl16 N8 O8 Pd8 -","8","1","","Peter Nilsson; Mats Larhed; Anders Hallberg","Highly Regioselective, Sequential, and Multiple Palladium-Catalyzed Arylations of Vinyl Ethers Carrying a Coordinating Auxiliary: An Example of a Heck Triarylation Process","Journal of the American Chemical Society","2001","123","","8217","8225","10.1021/ja011019k","","","0.71073","MoKα","","0.027","0.0218","","","0.0506","0.0519","","","","","","0.987","","","","has coordinates,has disorder","178927","2020-10-21","18:00:00","" "4115666","17.9444","0.0013","11.6019","0.0009","8.2731","0.0006","90","","99.22","0.002","90","","1700.1","0.2","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Dichloro bis-{N,N-Dimethyl-2[(2,2 diphenyl) ethenyloxy]ethanamine} palladium(II)","","- C36 H42 Cl2 N2 O2 Pd -","- C36 H42 Cl2 N2 O2 Pd -","- C72 H84 Cl4 N4 O4 Pd2 -","2","0.5","","Peter Nilsson; Mats Larhed; Anders Hallberg","Highly Regioselective, Sequential, and Multiple Palladium-Catalyzed Arylations of Vinyl Ethers Carrying a Coordinating Auxiliary: An Example of a Heck Triarylation Process","Journal of the American Chemical Society","2001","123","","8217","8225","10.1021/ja011019k","","","0.71073","MoKα","","0.0837","0.0385","","","0.0543","0.0605","","","","","","0.789","","","","has coordinates,has disorder","178927","2020-10-21","18:00:00","" "4115667","8.223","0.002","17.301","0.005","7.433","0.002","90","","111.931","0.005","90","","980.9","0.5","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Dichloro-{2-[ethenyloxymethyl]pyridine}palladium","","- C8 H9 Cl2 N O Pd -","- C8 H9 Cl2 N O Pd -","- C32 H36 Cl8 N4 O4 Pd4 -","4","1","","Peter Nilsson; Mats Larhed; Anders Hallberg","Highly Regioselective, Sequential, and Multiple Palladium-Catalyzed Arylations of Vinyl Ethers Carrying a Coordinating Auxiliary: An Example of a Heck Triarylation Process","Journal of the American Chemical Society","2001","123","","8217","8225","10.1021/ja011019k","","","0.71073","MoKα","","0.0257","0.0212","","","0.0471","0.0482","","","","","","0.955","","","","has coordinates","178927","2020-10-21","18:00:00","" "4115668","21.2081","0.0002","14.743","0.0002","29.3458","0.0006","90","","90","","90","","9175.6","0.2","153.2","","153.2","","","","","","","","","8","P b c a","-P 2ac 2ab","61","","","","- C36 H74 Cl Fe N4 O Si2 Ta -","- C42 H64 Cl Fe N4 Si2 Ta -","- C336 H512 Cl8 Fe8 N32 Si16 Ta8 -","8","1","","Joseph A. R. Schmidt; John Arnold","Reactivity of a Tantalum-Lithium Alkylidene Supported by an Anionic Triazacyclononane Ligand","Journal of the American Chemical Society","2001","123","","8424","8425","10.1021/ja016143i","","","0.7107","MoKα","","0.1067","0.0333","","0.0539","0.0372","","","","","0.875","0.875","","","","","has coordinates","176467","2020-10-21","18:00:00","" "4115669","11.5447","0.0002","13.0903","0.0001","13.6676","0.0002","63.756","0.001","84.93","0.001","77.214","0.001","1806.54","0.05","168.2","","168.2","","","","","","","","","7","P -1","-P 1","2","","","","- C34 H60 Li N4 O Si Ta -","- C34 H60 Li N4 O Si Ta -","- C68 H120 Li2 N8 O2 Si2 Ta2 -","2","1","","Joseph A. R. Schmidt; John Arnold","Reactivity of a Tantalum-Lithium Alkylidene Supported by an Anionic Triazacyclononane Ligand","Journal of the American Chemical Society","2001","123","","8424","8425","10.1021/ja016143i","","","0.7107","MoKα","","0.0264","0.0209","","0.0963","0.0696","","","","","2.736","2.736","","","","","has coordinates","176467","2020-10-21","18:00:00","" "4115670","17.1859","0.0003","19.2859","0.0003","24.3778","0.0004","90","","90","","90","","8079.9","0.2","166.2","","166.2","","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C33 H64 Li N4 O Si2 Ta -","- C34 H60 Li N4 O Si2 Ta -","- C272 H480 Li8 N32 O8 Si16 Ta8 -","8","1","","Joseph A. R. Schmidt; John Arnold","Reactivity of a Tantalum-Lithium Alkylidene Supported by an Anionic Triazacyclononane Ligand","Journal of the American Chemical Society","2001","123","","8424","8425","10.1021/ja016143i","","","0.7107","MoKα","","0.0596","0.025","","0.0366","0.0283","","","","","0.79","0.79","","","","","has coordinates","176467","2020-10-21","18:00:00","" "4115671","11.005","0.0002","13.5425","0.0003","17.5754","0.0004","108.303","0.001","93.722","0.001","95.154","0.001","2464.74","0.09","149.2","","149.2","","","","","","","","","7","P -1","-P 1","2","","","","- C44 H86 N4 O Rh Si2 Ta -","- C44 H86 N4 O Rh Si2 Ta -","- C88 H172 N8 O2 Rh2 Si4 Ta2 -","2","1","","Joseph A. R. Schmidt; John Arnold","Reactivity of a Tantalum-Lithium Alkylidene Supported by an Anionic Triazacyclononane Ligand","Journal of the American Chemical Society","2001","123","","8424","8425","10.1021/ja016143i","","","0.7107","MoKα","","0.0557","0.0404","","0.0524","0.0444","","","","","1.436","1.436","","","","","has coordinates","176467","2020-10-21","18:00:00","" "4115672","23.7459","0.0004","16.1047","0.0002","27.4967","0.0005","90","","96.4411","0.0005","90","","10448.9","0.3","213","2","213","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C104 H134 Cl2 N8 O16 Zn -","- C104 H121 Cl2 N8 O16 Zn -","- C416 H484 Cl8 N32 O64 Zn4 -","4","1","","Olivier Sénèque; Marie-Noëlle Rager; Michel Giorgi; Olivia Reinaud","Supramolecular Stabilization of a Tris(imidazolyl) Zn-Aqua Complex Evidenced by X-ray Analysis: A Structural Model for Mono-Zinc Active Sites of Enzymes","Journal of the American Chemical Society","2001","123","","8442","8443","10.1021/ja016345e","","","0.7107","MoKα","","0.1114","0.084","","","0.2129","0.2404","","","","","","1.178","","","","has coordinates","178927","2020-10-21","18:00:00","" "4115673","18.1176","0.0014","9.5777","0.0011","25.2917","0.0007","90","","100.156","0.0007","90","","4320","0.6","180.2","","180.2","","","","","","","","","7","P 1 21/a 1","-P 2yab","14","","","","- C43 H46 Cl4 N2 O2 P2 Ru2 -","- C43 H46 Cl4 N2 O2 P2 Ru2 -","- C172 H184 Cl16 N8 O8 P8 Ru8 -","4","1","","Craig B. Pamplin; Erin S. F. Ma; Nasser Safari; Steven J. Rettig; Brian R. James","The Nitrous Oxide Complex, RuCl2(η1-N2O)(P-N)(PPh3) (P-N = [o-(N,N-Dimethylamino)phenyl]diphenylphosphine); Low Temperature Conversion of N2O to N2 and O2","Journal of the American Chemical Society","2001","123","","8596","8597","10.1021/ja0106319","","","0.7107","MoKα","","0.1525","0.055","","0.0984","","0.04","","","1.347","","","1.347","","","","has coordinates","176467","2020-10-21","18:00:00","" "4115674","13.312","0.008","13.982","0.009","13.995","0.009","61.16","0.02","82.34","0.02","86.58","0.02","2261","3","293","2","293","2","","","","","","","","8","P -1","-P 1","2","Li tetraaquo [B-hexamethyl 9-mercuracarborand-3]2 iodide","","","- C14 H49 B30 Hg3 I0.5 Li0.5 N O2 -","- C14 H49 B30 Hg3 I0.5 Li0.5 N O2 -","- C28 H98 B60 Hg6 I Li N2 O4 -","2","1","","Hans Lee; Carolyn B. Knobler; M. Frederick Hawthorne","Octahedral Coordination of Halide Ions (I-, Br-, Cl-) Sandwich Bonded with Tridentate Mercuracarborand-3 Receptors","Journal of the American Chemical Society","2001","123","","8543","8549","10.1021/ja010755l","","","0.71073","MoKα","","0.1635","0.0628","","0.1709","0.1286","","","","1.018","1.108","1.108","","","","","has coordinates","176467","2020-10-21","18:00:00","" "4115675","24.671","0.008","17.576","0.006","26.079","0.008","90","","106.424","0.006","90","","10847","6","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","triphenylmethylphosphonium [(B-hexamethyl 9-mercuracarborand-3)2.Br]","","","- C24.5 H56.5 B30 Br0.5 Hg3 O1.5 P0.5 -","- C24.5 H55.5 B30 Br0.5 Hg3 O1.5 P0.5 -","- C196 H444 B240 Br4 Hg24 O12 P4 -","8","1","","Hans Lee; Carolyn B. Knobler; M. Frederick Hawthorne","Octahedral Coordination of Halide Ions (I-, Br-, Cl-) Sandwich Bonded with Tridentate Mercuracarborand-3 Receptors","Journal of the American Chemical Society","2001","123","","8543","8549","10.1021/ja010755l","","","0.71073","MoKα","","0.0826","0.0607","","","0.1505","0.1578","","","","","","1.075","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00","" "4115676","37.267","0.015","29.254","0.012","10.99","0.004","90","","100.659","0.007","90","","11775","8","298","2","298","2","","","","","","","","7","C 1 2/m 1","-C 2y","12","PPN [B-hexamethyl 9-mercuracarborand-3]2.Cl","","","- C60 H114 B60 Cl Hg6 N P2 -","- C60 H114 B60 Cl Hg6 N P2 -","- C240 H456 B240 Cl4 Hg24 N4 P8 -","4","0.5","","Hans Lee; Carolyn B. Knobler; M. Frederick Hawthorne","Octahedral Coordination of Halide Ions (I-, Br-, Cl-) Sandwich Bonded with Tridentate Mercuracarborand-3 Receptors","Journal of the American Chemical Society","2001","123","","8543","8549","10.1021/ja010755l","","","0.71073","MoKα","","0.1437","0.09","","","0.2206","0.2545","","","","","","0.968","","","","has coordinates","178927","2020-10-21","18:00:00","" "4115677","15.3559","0.0004","21.8104","0.0006","23.3825","0.0006","100.034","0.001","100.712","0.001","107.426","0.001","7117.4","0.3","90","2","90","2","","","","","","","","5","P -1","-P 1","2","","","","- C74 H66.5 Cl N4 S4 -","- C74 H66.5 Cl N4 S4 -","- C296 H266 Cl4 N16 S16 -","4","2","","Venkataramanarao G. Anand; Simi K. Pushpan; Sundararaman Venkatraman; Abhishek Dey; Tavarekere K. Chandrashekar; Bhavani S. Joshi; Raja Roy; Weijie Teng; Karin Ruhlandt Senge","34π Octaphyrin: First Structural Characterization of a Planar, Aromatic [1.0.1.0.1.0.1.0] Octaphyrin with Inverted Heterocyclic Rings","Journal of the American Chemical Society","2001","123","","8620","8621","10.1021/ja011265w","","","0.71073","MoKα","","0.0924","0.0662","","","0.1795","0.1942","","","","","","1.102","","","","has coordinates","176467","2020-10-21","18:00:00","" "4115678","22.6333","0.0011","13.1125","0.0007","24.0252","0.0012","90","","112.635","0.001","90","","6581","0.6","193","2","193","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C76 H66 Ir2 N2 P4 S2 -","- C76 H66 Ir2 N2 P4 S2 -","- C304 H264 Ir8 N8 P16 S8 -","4","0.5","","Rachel C. Linck; Robert J. Pafford; Thomas B. Rauchfuss","Heterolytic and Homolytic Activation of Dihydrogen at an Unusual Iridium (II) Sulfide","Journal of the American Chemical Society","2001","123","","8856","8857","10.1021/ja010603q","","","0.71073","MoKα","","0.0668","0.0376","","","0.0791","0.0869","","","","","","0.977","","","","has coordinates","178927","2020-10-21","18:00:00","" "4115679","23.3048","0.0013","13.1143","0.0007","24.1374","0.0013","90","","114.435","0.001","90","","6716.3","0.6","193","2","193","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C78 H74 Ir2 O2 P4 S2 -","- C78 H74 Ir2 O2 P4 S2 -","- C312 H296 Ir8 O8 P16 S8 -","4","0.5","","Rachel C. Linck; Robert J. Pafford; Thomas B. Rauchfuss","Heterolytic and Homolytic Activation of Dihydrogen at an Unusual Iridium (II) Sulfide","Journal of the American Chemical Society","2001","123","","8856","8857","10.1021/ja010603q","","","0.71073","MoKα","","0.057","0.0312","","","0.0608","0.0659","","","","","","0.822","","","","has coordinates,has disorder","178927","2020-10-21","18:00:00","" "4115680","15.04","0.007","8.051","0.004","18.332","0.008","90","","100.738","0.007","90","","2180.9","1.8","293","2","293","2","","","","","","","original synthesis","4","P 1 21/n 1","-P 2yn","14","","","","- Ag4 I4 O24 U4 -","- Ag4 I4 O24 U4 -","- Ag16 I16 O96 U16 -","4","1","","Amanda C. Bean; Charles F. Campana; Ohyun Kwon; Thomas E. Albrecht-Schmitt","A New Oxoanion: [IO4]3- Containing I(V) with a Stereochemically Active Lone-Pair in the Silver Uranyl Iodate Tetraoxoiodate(V), Ag4(UO2)4(IO3)2(IO4)2O2","Journal of the American Chemical Society","2001","123","","8806","8810","10.1021/ja011204y","","","0.71073","MoKα","","0.0721","0.0514","","0.1077","0.0999","","","","1.042","1.126","1.126","","","","","has coordinates","178927","2020-10-21","18:00:00","" "4115681","18.51","0.003","13.4478","0.0018","7.6928","0.001","90","","101.552","0.003","90","","1876.1","0.5","290","2","290","2","","","","","","","","6","I 1 m 1","I -2y","8","ITQ4","","","- C28 H34 F2 N2 O66 Si32 -","- C28 H34 F2 N2 O66 Si32 -","- C28 H34 F2 N2 O66 Si32 -","1","0.25","","Luis A. Villaescusa; Paul S. Wheatley; Ivor Bull; Philip Lightfoot; Russell E. Morris","The Location and Ordering of Fluoride Ions in Pure Silica Zeolites with Framework Types IFR and STF; Implications for the Mechanism of Zeolite Synthesis in Fluoride Media","Journal of the American Chemical Society","2001","123","","8797","8805","10.1021/ja016113f","","","0.6994","","","0.0577","0.0525","","","0.1316","0.135","","","","","","1.05","","","","has coordinates","178927","2020-10-21","18:00:00","" "4115682","18.571","0.0008","13.4943","0.0006","7.7153","0.0003","90","","102.302","0.001","90","","1889.08","0.14","30","2","30","2","","","","","","","","6","I 1 m 1","I -2y","8","","","","- C28 H34 F2 N2 O66 Si32 -","- C28 H34 F2 N2 O66 Si32 -","- C28 H34 F2 N2 O66 Si32 -","1","0.25","","Luis A. Villaescusa; Paul S. Wheatley; Ivor Bull; Philip Lightfoot; Russell E. Morris","The Location and Ordering of Fluoride Ions in Pure Silica Zeolites with Framework Types IFR and STF; Implications for the Mechanism of Zeolite Synthesis in Fluoride Media","Journal of the American Chemical Society","2001","123","","8797","8805","10.1021/ja016113f","","","0.6448","","","0.0505","0.0479","","","0.1294","0.1325","","","","","","1.096","","","","has coordinates","178927","2020-10-21","18:00:00","" "4115683","7.4573","0.0002","18.0966","0.0005","14.0233","0.0004","90","","99.254","0.001","90","","1867.84","0.09","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C24 H48 F2 N2 O64 Si32 -","- F2 O64 Si32 -","- F2 O64 Si32 -","1","0.25","","Luis A. Villaescusa; Paul S. Wheatley; Ivor Bull; Philip Lightfoot; Russell E. Morris","The Location and Ordering of Fluoride Ions in Pure Silica Zeolites with Framework Types IFR and STF; Implications for the Mechanism of Zeolite Synthesis in Fluoride Media","Journal of the American Chemical Society","2001","123","","8797","8805","10.1021/ja016113f","","","0.6892","","","0.1101","0.0943","","0.2713","0.2633","","","","1.102","1.19","1.19","","","","","has coordinates","178927","2020-10-21","18:00:00","" "4115684","15.406","0.007","7.264","0.005","26.48","0.01","90","","95.23","0.05","90","","2951","3","157.2","","157.2","","","","","","","","synthetic","4","P 1 21/a 1","-P 2yab","14","","","","- C33 H33 N3 O9 -","- C33 H33 N3 O9 -","- C132 H132 N12 O36 -","4","1","","Dana L. Caulder; Christian Brückner; Ryan E. Powers; Stefan König; Tatjana N. Parac; Julie A. Leary; Kenneth N. Raymond","Design, Formation and Properties of Tetrahedral M4L4 and M4L6 Supramolecular Clusters1","Journal of the American Chemical Society","2001","123","","8923","8938","10.1021/ja0104507","","","0.7107","MoKα","","0.1964","0.0593","","0.098","","0.0605","","","","","","1.415","","","","has coordinates","176467","2020-10-21","18:00:00","" "4115685","22.6143","0.0005","22.6143","0.0004","106.038","0.002","90","","90","","120","","46963.3","1.6","170.2","","170.2","","","","","","","","synthetic","5","R -3 c :H","-R 3 2""c","167","","","","- C156 H188 N20 O36 Ti4 -","- C173 H57 N18 O36 Ti4 -","- C2076 H684 N216 O432 Ti48 -","12","0.333333","","Dana L. Caulder; Christian Brückner; Ryan E. Powers; Stefan König; Tatjana N. Parac; Julie A. Leary; Kenneth N. Raymond","Design, Formation and Properties of Tetrahedral M4L4 and M4L6 Supramolecular Clusters1","Journal of the American Chemical Society","2001","123","","8923","8938","10.1021/ja0104507","","","0.7107","MoKalpha","","0.191","0.1087","","","0.1204","","","","","4.21","4.21","","","","","has coordinates","176467","2020-10-21","18:00:00","" "4115686","43.707","0.008","43.707","0.008","43.707","0.008","90","","90","","90","","83494","3","143","2","143","2","","","","","","","synthetic","6","I -4 3 d","I -4bd 2c 3","220","","","","- C203 H312 Fe4 K5 N19 O47 -","- C187.42 H144 Fe4 K4.98 N18.97 O46.995 -","- C2998.72 H2304 Fe64 K79.68 N303.52 O751.92 -","16","0.333333","","Dana L. Caulder; Christian Brückner; Ryan E. Powers; Stefan König; Tatjana N. Parac; Julie A. Leary; Kenneth N. Raymond","Design, Formation and Properties of Tetrahedral M4L4 and M4L6 Supramolecular Clusters1","Journal of the American Chemical Society","2001","123","","8923","8938","10.1021/ja0104507","","","0.7107","MoKalpha","","0.1504","0.0978","","0.3288","0.2552","","","","1.104","1.115","1.115","","","","","has coordinates","178927","2020-10-21","18:00:00","" "4115687","9.319","0.001","12.406","0.002","20.453","0.002","90","","95.08","0.01","90","","2355.3","0.5","183","2","183","2","","","","","","","selfmade","5","P 1 21/n 1","-P 2yn","14","bis(disyl)chlorophosphine","","","- C14 H38 Cl P Si4 -","- C14 H38 Cl P Si4 -","- C56 H152 Cl4 P4 Si16 -","4","1","","Sarah L. Hinchley; Carole A. Morrison; David W. H. Rankin; Charles L. B. Macdonald; Robert J. Wiacek; Andreas Voigt; Alan H. Cowley; Michael F. Lappert; Grete Gundersen; Jason A. C. Clyburne; Philip P. Power","Spontaneous Generation of Stable Pnictinyl Radicals from ""Jack-in-the-Box"" Dipnictines: A Solid-State, Gas-Phase, and Theoretical Investigation of the Origins of Steric Stabilization1","Journal of the American Chemical Society","2001","123","","9045","9053","10.1021/ja010615b","","","0.71073","MoKα","","0.0662","0.0395","","0.0931","0.0806","","","","1.018","1.052","1.052","","","","","has coordinates","178927","2020-10-21","18:00:00","" "4115688","11.5626","0.0011","12.3944","0.001","17.542","0.002","90","","108.276","0.009","90","","2387.2","0.4","173","2","173","2","","","","","","","selfmade","5","P 1 21/n 1","-P 2yn","14","bis(disyl)chloroarsine","","","- C14 H38 As Cl Si4 -","- C14 H38 As Cl Si4 -","- C56 H152 As4 Cl4 Si16 -","4","1","","Sarah L. Hinchley; Carole A. Morrison; David W. H. Rankin; Charles L. B. Macdonald; Robert J. Wiacek; Andreas Voigt; Alan H. Cowley; Michael F. Lappert; Grete Gundersen; Jason A. C. Clyburne; Philip P. Power","Spontaneous Generation of Stable Pnictinyl Radicals from ""Jack-in-the-Box"" Dipnictines: A Solid-State, Gas-Phase, and Theoretical Investigation of the Origins of Steric Stabilization1","Journal of the American Chemical Society","2001","123","","9045","9053","10.1021/ja010615b","","","0.71073","MoKα","","0.0897","0.0582","","0.1567","0.1377","","","","1.043","1.094","1.094","","","","","has coordinates","178927","2020-10-21","18:00:00","" "4115689","18.341","0.002","13.424","0.001","19.033","0.002","90","","110.65","0.01","90","","4385","0.8","173","2","173","2","","","","","","","selfmade","4","P 1 21/c 1","-P 2ybc","14","tetra(disyl)diphosphine","","","- C28 H76 P2 Si8 -","- C28 H76 P2 Si8 -","- C112 H304 P8 Si32 -","4","1","","Sarah L. Hinchley; Carole A. Morrison; David W. H. Rankin; Charles L. B. Macdonald; Robert J. Wiacek; Andreas Voigt; Alan H. Cowley; Michael F. Lappert; Grete Gundersen; Jason A. C. Clyburne; Philip P. Power","Spontaneous Generation of Stable Pnictinyl Radicals from ""Jack-in-the-Box"" Dipnictines: A Solid-State, Gas-Phase, and Theoretical Investigation of the Origins of Steric Stabilization1","Journal of the American Chemical Society","2001","123","","9045","9053","10.1021/ja010615b","","","0.71073","MoKα","","0.0435","0.036","","0.1025","0.0958","","","","1.089","1.109","1.109","","","","","has coordinates","178927","2020-10-21","18:00:00","" "4115690","20.348","0.004","26.342","0.005","37.012","0.007","102.11","0.03","104.54","0.03","102.35","0.03","18016","8","153","2","153","2","","","","","","","selfmade","4","P -1","-P 1","2","tetra(disyl)diarsine","","","- C28 H76 As2 Si8 -","- C28 H76 As2 Si8 -","- C448 H1216 As32 Si128 -","16","8","","Sarah L. Hinchley; Carole A. Morrison; David W. H. Rankin; Charles L. B. Macdonald; Robert J. Wiacek; Andreas Voigt; Alan H. Cowley; Michael F. Lappert; Grete Gundersen; Jason A. C. Clyburne; Philip P. Power","Spontaneous Generation of Stable Pnictinyl Radicals from ""Jack-in-the-Box"" Dipnictines: A Solid-State, Gas-Phase, and Theoretical Investigation of the Origins of Steric Stabilization1","Journal of the American Chemical Society","2001","123","","9045","9053","10.1021/ja010615b","","","0.71073","MoKα","","0.0913","0.0531","","0.1344","0.1213","","","","1.511","1.713","1.713","","","","","has coordinates","178927","2020-10-21","18:00:00","" "4115691","10.5106","0.001","14.3786","0.0013","16.7764","0.0016","89.965","0.002","89.905","0.002","85.253","0.002","2526.7","0.4","170","2","170","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H34 B6 Cl2 Re2 -","- C20 H34 B6 Cl2 Re2 -","- C80 H136 B24 Cl8 Re8 -","4","2","","Sundargopal Ghosh; Alicia M. Beatty; Thomas P. Fehlner","Synthesis and Characterization of Bicapped Hexagonal Bipyramidal 2,3-Cl2-1,8-{Cp*Re}2B6H4[{Cp*Re}2{μ-η6:η6-1,2-B6H4Cl2}, Cp* = η5-C5Me5]: The Missing Link Connecting (p - 2) Skeletal Electron Pair Hypoelectronic Rhenaboranes and 24-Valence Electron Triple-Decker Complexes","Journal of the American Chemical Society","2001","123","","9188","9189","10.1021/ja0111840","","","0.71073","MoKα","","0.0421","0.0365","","","0.0794","0.0872","","","","","","1.076","","","","has coordinates","178927","2020-10-21","18:00:00","" "4115692","17.2502","0.0008","17.8934","0.0006","9.8489","0.0002","90","","90","","90","","3040.01","0.18","173.2","","173.2","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C36 H32 F P Si2 -","- C36 H32 F P Si2 -","- C144 H128 F4 P4 Si8 -","4","1","","Akio Toshimitsu; Tomoyuki Saeki; Kohei Tamao","Phosphonium Sila-ylide: Reaction Pathway Different from Ammonium Sila-ylide but Similar to Phosphonium Ylide","Journal of the American Chemical Society","2001","123","","9210","9211","10.1021/ja0160602","","","0.7107","MoKα","","0.0362","0.0362","","","0.0488","0.0488","","","","","","0.943","","","","has coordinates","176467","2020-10-21","18:00:00","" "4115693","12.474","0.0007","13.1328","0.0006","11.3443","0.0005","107.217","0.003","115.824","0.003","63.616","0.002","1486.44","0.13","173.2","","173.2","","","","","","","","","5","P -1","-P 1","2","","","","- C37 H27 F2 P Si -","- C37 H27 F2 P Si -","- C74 H54 F4 P2 Si2 -","2","1","","Akio Toshimitsu; Tomoyuki Saeki; Kohei Tamao","Phosphonium Sila-ylide: Reaction Pathway Different from Ammonium Sila-ylide but Similar to Phosphonium Ylide","Journal of the American Chemical Society","2001","123","","9210","9211","10.1021/ja0160602","","","0.7107","MoKα","","0.0429","0.0429","","","0.0653","0.0653","","","","","","1.074","","","","has coordinates","176467","2020-10-21","18:00:00","" "4115694","16.667","0.001","9.2935","0.0006","17.903","0.001","90","","94.538","0.003","90","","2764.4","0.3","173.2","","173.2","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C37 H29 P Si -","- C37 H29 P Si -","- C148 H116 P4 Si4 -","4","1","","Akio Toshimitsu; Tomoyuki Saeki; Kohei Tamao","Phosphonium Sila-ylide: Reaction Pathway Different from Ammonium Sila-ylide but Similar to Phosphonium Ylide","Journal of the American Chemical Society","2001","123","","9210","9211","10.1021/ja0160602","","","0.7107","MoKα","","0.0654","0.0654","","","0.0848","0.0848","","","","","","1.213","","","","has coordinates","176467","2020-10-21","18:00:00","" "4115695","13.085","0.001","13.9206","0.0011","22.1213","0.0018","75.075","0.001","73.717","0.001","68.526","0.001","3544.8","0.5","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C71.5 H107.5 Fe2 N6 -","- C71.5 H107.5 Fe2 N6 -","- C143 H215 Fe4 N12 -","2","1","","Jeremy M. Smith; Rene J. Lachicotte; Karl A. Pittard; Thomas R. Cundari; Gudrun Lukat-Rodgers; Kenton R. Rodgers; Patrick L. Holland","Stepwise Reduction of Dinitrogen Bond Order by a Low-Coordinate Iron Complex","Journal of the American Chemical Society","2001","123","","9222","9223","10.1021/ja016094+","","","0.71073","MoKα","","0.1157","0.0811","","","0.1799","0.1953","","","","","","1.142","","","","has coordinates","176467","2020-10-21","18:00:00","" "4115696","12.7419","0.0011","12.8655","0.0011","24.353","0.002","89.487","0.002","89.11","0.002","65.817","0.001","3641.4","0.5","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C72.5 H111.5 Fe2 K2 N6 -","- C72.5 H111.5 Fe2 K2 N6 -","- C145 H223 Fe4 K4 N12 -","2","1","","Jeremy M. Smith; Rene J. Lachicotte; Karl A. Pittard; Thomas R. Cundari; Gudrun Lukat-Rodgers; Kenton R. Rodgers; Patrick L. Holland","Stepwise Reduction of Dinitrogen Bond Order by a Low-Coordinate Iron Complex","Journal of the American Chemical Society","2001","123","","9222","9223","10.1021/ja016094+","","","0.71073","MoKα","","0.1602","0.0778","","","0.1325","0.1525","","","","","","0.971","","","","has coordinates","176467","2020-10-21","18:00:00","" "4115697","12.7641","0.0006","12.8595","0.0006","24.2624","0.0012","88.468","0.001","89.189","0.001","63.659","0.001","3567.6","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C72.5 H111.5 Fe2 N6 Na2 -","- C72.5 H111.5 Fe2 N6 Na2 -","- C145 H223 Fe4 N12 Na4 -","2","1","","Jeremy M. Smith; Rene J. Lachicotte; Karl A. Pittard; Thomas R. Cundari; Gudrun Lukat-Rodgers; Kenton R. Rodgers; Patrick L. Holland","Stepwise Reduction of Dinitrogen Bond Order by a Low-Coordinate Iron Complex","Journal of the American Chemical Society","2001","123","","9222","9223","10.1021/ja016094+","","","0.71073","MoKα","","0.0674","0.0463","","","0.1092","0.1184","","","","","","1.068","","","","has coordinates","176467","2020-10-21","18:00:00","" "4115698","13.628","0.0003","11.858","0.0003","15.066","0.0004","90","","114.705","0.0015","90","","2211.84","0.1","293","2","293","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C20 H35 B F4 O P Rh -","- C20 H35 B F4 O P Rh -","- C80 H140 B4 F16 O4 P4 Rh4 -","4","1","","Boris Rybtchinski; Stephan Oevers; Michael Montag; Arkadi Vigalok; Haim Rozenberg; Jan M. L. Martin; David Milstein","Comparison of Steric and Electronic Requirements for C-C and C-H Bond Activation. Chelating vs Nonchelating Case","Journal of the American Chemical Society","2001","123","","9064","9077","10.1021/ja016126t","","","0.7107","MoKα","","0.0302","0.0252","","","0.0578","0.0612","","","","","","1.046","","","","has coordinates","178927","2020-10-21","18:00:00","" "4115699","12.075","0.0008","23.072","0.0014","23.819","0.0015","71.055","0.001","86.89","0.001","80.394","0.001","6188.4","0.7","183","2","183","2","","","","","","","","5","P -1","-P 1","2","","","","- C134 H128 I2 N9 O10 -","- C134 H128 I2 N9 O10 -","- C268 H256 I4 N18 O20 -","2","1","","Mark J. MacLachlan; Aimee Rose; Timothy M. Swager","A Rotaxane Exciplex","Journal of the American Chemical Society","2001","123","","9180","9181","10.1021/ja016228j","","","0.71073","MoKα","","0.1344","0.1128","","","0.3422","0.3701","","","","","","1.553","","","","has coordinates,has disorder","200027","2020-10-21","18:00:00","" "4115700","15.874","0.004","23.28","0.005","25.807","0.006","90","","104.793","0.004","90","","9221","4","153.2","","153.2","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C100 H112 Cl4 N7 O2.75 P -","- C100 H95 Cl4 N7 O2.75 P -","- C400 H380 Cl16 N28 O11 P4 -","4","1","","Bobby Ramdhanie; Charlotte L. Stern; David P. Goldberg","Synthesis of the First Corrolazine: A New Member of the Porphyrinoid Family","Journal of the American Chemical Society","2001","123","","9447","9448","10.1021/ja011229x","","","0.7107","MoKα","","0.3224","0.125","","0.206","","0.176","","","1.443","","","3.2","","","","has coordinates","176467","2020-10-21","18:00:00","" "4115701","5.6577","0.0007","9.9499","0.0012","13.5249","0.0017","89.942","0.002","87.724","0.002","74.343","0.002","732.5","0.16","133","2","133","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H21 N O4 S -","- C14 H21 N O4 S -","- C28 H42 N2 O8 S2 -","2","1","","Ronald A. Aungst; Raymond L. Funk","Synthesis of (Z)-2-Acyl-2-enals via Retrocycloadditions of 5-Acyl-4-alkyl-4H-1,3-dioxins: Application in the Total Synthesis of the Cytotoxin (\±)-Euplotin A","Journal of the American Chemical Society","2001","123","","9455","9456","10.1021/ja011470b","","","0.71073","MoKα","","0.0836","0.0544","","","0.1265","0.1379","","","","","","0.956","","","","has coordinates","178928","2020-10-21","18:00:00","" "4115702","28.222","0.003","18.904","0.002","14.555","0.002","90","","92.713","0.01","90","","7756.5","1.6","173","1","173","1","","","","","","","","3","C 1 2/c 1","-C 2yc","15","Compound 2","","","- C44 H54 Si2 -","- C44 H54 Si2 -","- C352 H432 Si16 -","8","1","","John E. Anthony; James S. Brooks; David L. Eaton; Sean R. Parkin","Functionalized Pentacene: Improved Electronic Properties from Control of Solid-State Order","Journal of the American Chemical Society","2001","123","","9482","9483","10.1021/ja0162459","","","0.71073","MoKα","","0.108","0.0568","","","0.1168","0.134","","","","","","1.034","","","","has coordinates,has disorder","178928","2020-10-21","18:00:00","" "4115703","7.565","0.0015","7.75","0.0015","16.835","0.003","89.15","0.03","78.42","0.03","83.63","0.03","960.9","0.3","173","1","173","1","","","","","","","","3","P -1","-P 1","2","Compound 1","","","- C44 H54 Si2 -","- C44 H54 Si2 -","- C44 H54 Si2 -","1","0.5","","John E. Anthony; James S. Brooks; David L. Eaton; Sean R. Parkin","Functionalized Pentacene: Improved Electronic Properties from Control of Solid-State Order","Journal of the American Chemical Society","2001","123","","9482","9483","10.1021/ja0162459","","","0.71073","MoKα","","0.0713","0.0486","","","0.1039","0.112","","","","","","1.038","","","","has coordinates,has disorder","178928","2020-10-21","18:00:00","" "4115704","8.9297","0.0002","9.9577","0.0002","11.4947","0.0003","66.744","0.001","78.52","0.002","79.24","0.002","913.61","0.04","140.2","","140.2","","","","","","","","","5","P -1","-P 1","2","","","","- C21 H21 I N2 O2 -","- C21 H21 I N2 O2 -","- C42 H42 I2 N4 O4 -","2","1","","Michael J. Eichberg; Rosa L. Dorta; Douglas B. Grotjahn; Kai Lamottke; Martin Schmidt; K. Peter C. Vollhardt","Approaches to the Synthesis of (\±)-Strychnine via the Cobalt-Mediated [2 + 2 + 2] Cycloaddition: Rapid Assembly of a Classic Framework","Journal of the American Chemical Society","2001","123","","9324","9337","10.1021/ja016333t","","","0.7107","MoKα","","0.0604","0.0472","","0.0535","0.0514","0.0514","","","","","","2.014","","","","has coordinates","176467","2020-10-21","18:00:00","" "4115705","11.581","0.005","11.688","0.005","13.572","0.005","106.249","0.005","107.005","0.005","94.076","0.005","1663","1.2","110","2","110","2","","","","","","","","4","P -1","-P 1","2","","","","- C36 H29 Au3 N8 -","- C36 H29 Au3 N8 -","- C72 H58 Au6 N16 -","2","1","","Manal A. Rawashdeh-Omary; Mohammad A. Omary; John P. Fackler; Rossana Galassi; Bianca R. Pietroni; Alfredo Burini","Chemistry and Optoelectronic Properties of Stacked Supramolecular Entities of Trinuclear Gold(I) Complexes Sandwiching Small Organic Acids","Journal of the American Chemical Society","2001","123","","9689","9691","10.1021/ja016279g","","","0.71073","MoKα","","0.0579","0.0495","","","0.1185","0.1248","","","","","","1.174","","","","has coordinates","178928","2020-10-21","18:00:00","" "4115706","7.3364","0.0012","35.272","0.006","14.356","0.002","90","","99.804","0.003","90","","3660.6","1","110","2","110","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C36 H36 Au3 F6 N3 O3 -","- C36 H36 Au3 F6 N3 O3 -","- C144 H144 Au12 F24 N12 O12 -","4","1","","Manal A. Rawashdeh-Omary; Mohammad A. Omary; John P. Fackler; Rossana Galassi; Bianca R. Pietroni; Alfredo Burini","Chemistry and Optoelectronic Properties of Stacked Supramolecular Entities of Trinuclear Gold(I) Complexes Sandwiching Small Organic Acids","Journal of the American Chemical Society","2001","123","","9689","9691","10.1021/ja016279g","","","0.71073","MoKα","","0.0404","0.0352","","","0.1167","0.1202","","","","","","1.085","","","","has coordinates","178928","2020-10-21","18:00:00","" "4115707","8.72","0.0002","16.612","0.0003","13.944","0.0001","90","","102.536","0.001","90","","1971.73","0.06","169.2","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H31 Cl P2 W -","- C16 H30 Cl P2 W -","- C64 H120 Cl4 P8 W4 -","4","1","","Benjamin V. Mork; T. Don Tilley","High Oxidation-State (Formally d0) Tungsten Silylene Complexes via Double Si-H Bond Activation","Journal of the American Chemical Society","2001","123","","9702","9703","10.1021/ja0165436","","","0.7107","MoKα","","","0.0326","","","","0.0371","","","","","","1.411","","","","has coordinates","176467","2020-10-21","18:00:00","" "4115708","15.2193","0.0002","15.9706","0.0002","17.2664","0.0003","90","","96.322","0.001","90","","4171.27","0.11","153.2","","153.2","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C40 H31 B F20 P2 W -","- C41 H29 B F20 P2 W -","- C164 H116 B4 F80 P8 W4 -","4","1","","Benjamin V. Mork; T. Don Tilley","High Oxidation-State (Formally d0) Tungsten Silylene Complexes via Double Si-H Bond Activation","Journal of the American Chemical Society","2001","123","","9702","9703","10.1021/ja0165436","","","0.7107","MoKα","","0.0668","0.0415","","0.05","0.0449","","","","","","","1.393","","","","has coordinates","176467","2020-10-21","18:00:00","" "4115709","27.488","0.0001","15.5223","0.0002","21.3367","0.0003","90","","90","","90","","9103.88","0.18","273.2","","155","","","","","","","","","7","P c a 21","P 2c -2ac","29","","","","- C42 H39 B F20 P2 Si W -","- C43 H37 B F20 P2 Si W -","- C344 H296 B8 F160 P16 Si8 W8 -","8","2","","Benjamin V. Mork; T. Don Tilley","High Oxidation-State (Formally d0) Tungsten Silylene Complexes via Double Si-H Bond Activation","Journal of the American Chemical Society","2001","123","","9702","9703","10.1021/ja0165436","","","0.7107","MoKα","","0.0363","0.03","","0.0377","0.0366","","","","","","","1.468","","","","has coordinates","176467","2020-10-21","18:00:00","" "4115710","12.0515","0.0006","22.1214","0.0013","20.1491","0.0009","90","","94.062","0.003","90","","5358.2","0.5","153","2","153","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C57 H73 Cl2 N9 O3 -","- C57 H73 Cl2 N9 O3 -","- C228 H292 Cl8 N36 O12 -","4","1","","Christophe Bucher; Rebecca S. Zimmerman; Vincent Lynch; Jonathan L. Sessler","First Cryptand-Like Calixpyrrole: Synthesis, X-ray Structure, and Anion Binding Properties of a Bicyclic[3,3,3]nonapyrrole","Journal of the American Chemical Society","2001","123","","9716","9717","10.1021/ja016629z","","","0.71073","MoKα","","0.2458","0.1187","","","0.1778","0.2061","","","","","","1.209","","","","has coordinates","178928","2020-10-21","18:00:00","" "4115711","17.0995","0.0015","10.184","0.0009","11.995","0.0011","90","","98.686","0.002","90","","2064.9","0.3","110","2","293","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C13 H24 Fe2 O4 P2 S2 -","- C12.93 H18 Fe2 O4 P2 S2 -","- C51.72 H72 Fe8 O16 P8 S8 -","4","1","","Xuan Zhao; Irene P. Georgakaki; Matthew L. Miller; Jason C. Yarbrough; Marcetta Y. Darensbourg","H/D Exchange Reactions in Dinuclear Iron Thiolates as Activity Assay Models of Fe-H2ase","Journal of the American Chemical Society","2001","123","","9710","9711","10.1021/ja0167046","","","0.71073","MoKα","","0.0636","0.0584","","","0.1538","0.1609","","","","","","1.103","","","","has coordinates","178928","2020-10-21","18:00:00","" "4115712","13.306","0.0008","18.0371","0.0011","20.5305","0.0013","90","","104.159","0.001","90","","4777.7","0.5","110","2","110","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C13 H25 F6 Fe2 O4 P3 S2 -","- C13 H25 F6 Fe2 O4 P3 S2 -","- C104 H200 F48 Fe16 O32 P24 S16 -","8","2","","Xuan Zhao; Irene P. Georgakaki; Matthew L. Miller; Jason C. Yarbrough; Marcetta Y. Darensbourg","H/D Exchange Reactions in Dinuclear Iron Thiolates as Activity Assay Models of Fe-H2ase","Journal of the American Chemical Society","2001","123","","9710","9711","10.1021/ja0167046","","","0.71073","MoKα","","0.1111","0.0748","","","0.1609","0.1936","","","","","","1.074","","","","has coordinates,has disorder","178928","2020-10-21","18:00:00","" "4115713","18.129","0.002","15.411","0.002","15.585","0.002","103.97","0.01","112.89","0.01","98.79","0.01","3741.5","0.9","293","2","293","2","","","","","","","","4","P 1","P 1","1","N-acetyl-L-phe methyl ester/Beta-Cyclodextrin","","","- C108 H217 N2 O100 -","- C107.388 H96 N1.949 O98.867 -","- C107.388 H96 N1.949 O98.867 -","1","1","","Joanna L. Clark; John J. Stezowski","Molecular Recognition in Cyclodextrin Complexes of Amino Acid Derivatives. 1. Crystallographic Studies of β-Cyclodextrin Complexes with N-Acetyl-l-phenylalanine Methyl Ester and N-Acetyl-l-phenylalanine Amide Pseudopeptides","Journal of the American Chemical Society","2001","123","","9880","9888","10.1021/ja003717v","","","0.71073","MoKα","","0.0916","0.0791","","","0.2145","0.237","","","","","","1.041","","","","has coordinates,has disorder","178928","2020-10-21","18:00:00","" "4115714","18.12","0.06","15.4","0.06","15.53","0.06","103.32","0.06","112.86","0.06","99.22","0.06","3732","2","293","2","293","2","","","","","","","","4","P 1","P 1","1","N-acetyl-L-F-amide/Beta-cyclodextrin","","","- C108 H216 N2 O176 -","- C106.001 H91 N4 O97.37 -","- C106.001 H91 N4 O97.37 -","1","1","","Joanna L. Clark; John J. Stezowski","Molecular Recognition in Cyclodextrin Complexes of Amino Acid Derivatives. 1. Crystallographic Studies of β-Cyclodextrin Complexes with N-Acetyl-l-phenylalanine Methyl Ester and N-Acetyl-l-phenylalanine Amide Pseudopeptides","Journal of the American Chemical Society","2001","123","","9880","9888","10.1021/ja003717v","","","0.71073","MoKα","","0.0859","0.0837","","","0.2125","0.2162","","","","","","1.057","","","","has coordinates,has disorder","178928","2020-10-21","18:00:00","" "4115715","18.31","0.06","15.51","0.06","15.31","0.06","102.78","0.06","112.66","0.06","99.47","0.06","3759","2","293","2","293","2","","","","","","","","4","P 1","P 1","1","N-acetyl-p-methoxy-L-phe methyl ester/Beta-CD","","","- C110 H218 N2 O100 -","- C110 H98 N2 O100.55 -","- C110 H98 N2 O100.55 -","1","1","","Joanna L. Clark; Billy R. Booth; John J. Stezowski","Molecular Recognition in Cyclodextrin Complexes of Amino Acid Derivatives. 2.1 A New Perturbation: The Room-Temperature Crystallographic Structure Determination for the N-Acetyl-p-methoxy-l-phenylalanine Methyl Ester/β-Cyclodextrin Complex","Journal of the American Chemical Society","2001","123","","9889","9895","10.1021/ja0100221","","","0.71073","MoKα","","0.1053","0.0827","","","0.2119","0.2253","","","","","","1.018","","","","has coordinates,has disorder","178928","2020-10-21","18:00:00","" "4115716","14.253","0.008","15.252","0.002","15.873","0.004","90","","90.86","0.03","90","","3450","2","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C36 H39 F7 Fe P3 -","- C36 H39 F7 Fe P3 -","- C144 H156 F28 Fe4 P12 -","4","1","","Mats Tilset; Irene Fjeldahl; Jean-René Hamon; Paul Hamon; Loïc Toupet; Jean-Yves Saillard; Karine Costuas; Anthony Haynes","Theoretical, Thermodynamic, Spectroscopic, and Structural Studies of the Consequences of One-Electron Oxidation on the Fe-X Bonds in 17- and 18-Electron Cp*Fe(dppe)X Complexes (X = F, Cl, Br, I, H, CH3)","Journal of the American Chemical Society","2001","123","","9984","10000","10.1021/ja0106927","","","0.71069","MoKα","","0.1329","0.0476","","","0.1284","0.154","","","","","","1.03","","","","has coordinates","178928","2020-10-21","18:00:00","" "4115717","12.763","0.003","13.877","0.007","19.551","0.007","90","","90","","90","","3463","2","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C36 H39 Cl F6 Fe P3 -","- C36 H39 Cl F6 Fe P3 -","- C144 H156 Cl4 F24 Fe4 P12 -","4","1","","Mats Tilset; Irene Fjeldahl; Jean-René Hamon; Paul Hamon; Loïc Toupet; Jean-Yves Saillard; Karine Costuas; Anthony Haynes","Theoretical, Thermodynamic, Spectroscopic, and Structural Studies of the Consequences of One-Electron Oxidation on the Fe-X Bonds in 17- and 18-Electron Cp*Fe(dppe)X Complexes (X = F, Cl, Br, I, H, CH3)","Journal of the American Chemical Society","2001","123","","9984","10000","10.1021/ja0106927","","","0.71069","MoKα","","0.1024","0.053","","","0.1453","0.177","","","","","","1.006","","","","has coordinates","178928","2020-10-21","18:00:00","" "4115718","31.49","0.004","9.834","0.004","22.322","0.005","90","","92.42","0.02","90","","6906","3","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C37 H42 B F4 Fe P2 -","- C74 H84 B2 F7 Fe2 P4 -","- C296 H336 B8 F28 Fe8 P16 -","4","1","","Mats Tilset; Irene Fjeldahl; Jean-René Hamon; Paul Hamon; Loïc Toupet; Jean-Yves Saillard; Karine Costuas; Anthony Haynes","Theoretical, Thermodynamic, Spectroscopic, and Structural Studies of the Consequences of One-Electron Oxidation on the Fe-X Bonds in 17- and 18-Electron Cp*Fe(dppe)X Complexes (X = F, Cl, Br, I, H, CH3)","Journal of the American Chemical Society","2001","123","","9984","10000","10.1021/ja0106927","","","0.71069","MoKα","","0.1651","0.0757","","","0.2241","0.2836","","","","","","1.066","","","","has coordinates","178928","2020-10-21","18:00:00","" "4115719","29.666","0.004","9.742","0.0012","11.614","0.002","90","","99.25","0.02","90","","3312.9","0.9","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C31 H49 N3 Ni O S2 -","- C31 H49 N3 Ni O S2 -","- C124 H196 N12 Ni4 O4 S8 -","4","0.5","","Diran Herebian; Eberhard Bothe; Eckhard Bill; Thomas Weyhermüller; Karl Wieghardt","Experimental Evidence for the Noninnocence of o-Aminothiophenolates: Coordination Chemistry of o-Iminothionebenzosemiquinonate(1-) π-Radicals with Ni(II), Pd(II), Pt(II)","Journal of the American Chemical Society","2001","123","","10012","10023","10.1021/ja011155p","","","0.71073","MoKα","","0.0962","0.0562","","0.1408","0.1243","","","","0.999","1.085","1.085","","","","","has coordinates","178928","2020-10-21","18:00:00","" "4115720","32.301","0.002","14.9776","0.0012","17.4278","0.0012","90","","105.9","0.02","90","","8108.8","1.3","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C36 H63 N3 O2 Pd S2 -","- C36 H63 N3 O2 Pd S2 -","- C288 H504 N24 O16 Pd8 S16 -","8","1","","Diran Herebian; Eberhard Bothe; Eckhard Bill; Thomas Weyhermüller; Karl Wieghardt","Experimental Evidence for the Noninnocence of o-Aminothiophenolates: Coordination Chemistry of o-Iminothionebenzosemiquinonate(1-) π-Radicals with Ni(II), Pd(II), Pt(II)","Journal of the American Chemical Society","2001","123","","10012","10023","10.1021/ja011155p","","","0.71073","MoKα","","0.052","0.0347","","0.0901","0.0844","","","","1.04","1.11","1.11","","","","","has coordinates,has disorder","178928","2020-10-21","18:00:00","" "4115721","23.793","0.002","9.8009","0.0008","28.039","0.003","90","","90","","90","","6538.5","1","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C29 H44 Cl2 N2 Pt S2 -","- C29 H44 Cl2 N2 Pt S2 -","- C232 H352 Cl16 N16 Pt8 S16 -","8","1","","Diran Herebian; Eberhard Bothe; Eckhard Bill; Thomas Weyhermüller; Karl Wieghardt","Experimental Evidence for the Noninnocence of o-Aminothiophenolates: Coordination Chemistry of o-Iminothionebenzosemiquinonate(1-) π-Radicals with Ni(II), Pd(II), Pt(II)","Journal of the American Chemical Society","2001","123","","10012","10023","10.1021/ja011155p","","","0.71073","MoKα","","0.0753","0.0422","","0.0942","0.0819","","","","1.155","1.266","1.266","","","","","has coordinates","201982","2020-10-21","18:00:00","" "4115722","22.331","0.003","7.9655","0.001","13.2329","0.0016","90","","107.877","0.002","90","","2240.2","0.5","301","2","301","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C12 H17 Ca Na O21 P2 -","- C12 H17 Ca Na O21 P2 -","- C48 H68 Ca4 Na4 O84 P8 -","4","0.5","","Konstantinos D. Demadis; John D. Sallis; Raphael G. Raptis; Peter Baran","A Crystallographically Characterized Nine-Coordinate Calcium-Phosphocitrate Complex as Calcification Inhibitor in Vivo","Journal of the American Chemical Society","2001","123","","10129","10130","10.1021/ja016384q","","","0.71073","MoKα","","0.0303","0.0277","","","0.0753","0.077","","","","","","1.072","","","","has coordinates","183806","2020-10-21","18:00:00","" "4115723","10.77","0.001","13.788","0.001","21.289","0.004","99.693","0.005","94.388","0.005","112.405","0.005","2846.4","0.6","198.2","","198.2","","","","","","","","","7","P -1","-P 1","2","","","","- C52.67 H41.67 Cl2 F6 P3 Pd S6 -","- C52.667 H41.667 Cl2.001 F6 P3 Pd S6 -","- C105.334 H83.334 Cl4.002 F12 P6 Pd2 S12 -","2","1","","Olivier Clot; Michael O. Wolf; Brian O. Patrick","Electropolymerization of Pd(II) Complexes Containing Phosphinoterthiophene Ligands","Journal of the American Chemical Society","2001","123","","9963","9973","10.1021/ja016465m","","","0.7107","MoKα","","0.1362","0.06","","0.1633","","0.072","","","1.22","","","1.22","","","","has coordinates","176467","2020-10-21","18:00:00","" "4115724","14.16","0.002","14.665","0.003","20.321","0.003","96.372","0.003","109.63","0.003","102.714","0.003","3797.7","1.1","155","2","155","2","","","","","","","","6","P -1","-P 1","2","","","","- C53 H120 Al2 O20 P2 Si3 -","- C53 H120 Al2 O20 P2 Si3 -","- C106 H240 Al4 O40 P4 Si6 -","2","1","","Kyle L. Fujdala; T. Don Tilley","An Efficient, Single-Source Molecular Precursor to Silicoaluminophosphates","Journal of the American Chemical Society","2001","123","","10133","10134","10.1021/ja0167295","","","0.71073","MoKα","","0.2189","0.0582","","0.1192","0.089","","","","0.74","1.054","1.054","","","","","has coordinates","178928","2020-10-21","18:00:00","" "4115725","11.1734","0.0012","11.1734","0.0012","19.129","0.003","90","","90","","90","","2388.2","0.5","153.2","","153.2","","","","","","","","","4","P 42/m","-P 4c","84","","","","- C26 H36 P Y -","- C23 H2.5 P0.5 Y0.5 -","- C92 H10 P2 Y2 -","4","0.5","","Michael R. Douglass; Charlotte L. Stern; Tobin J. Marks","Intramolecular Hydrophosphination/Cyclization of Phosphinoalkenes and Phosphinoalkynes Catalyzed by Organolanthanides: Scope, Selectivity, and Mechanism","Journal of the American Chemical Society","2001","123","","10221","10238","10.1021/ja010811i","","","0.7107","MoKα","","0.204","0.067","","0.165","","0.138","","","","","","3.2","","","","has coordinates","176467","2020-10-21","18:00:00","" "4115726","10.9188","0.0001","12.8835","0.0001","17.4328","0.0001","95.652","0.001","105.264","0.001","111.094","0.001","2155.81","0.04","203","2","203","2","","","","","","","","9","P -1","-P 1","2","","","","- C42 H33 B Cl4 F4 N O3 P2 W -","- C42 H33 B Cl4 F4 N O3 P2 W -","- C84 H66 B2 Cl8 F8 N2 O6 P4 W2 -","2","1","","Eric W. Ainscough; Andrew M. Brodie; Anthony K. Burrell; Steven M. F. Kennedy","An Unusual Reduction of an Imine Bond: The Isolation of a Stable π-Iminium Intermediate","Journal of the American Chemical Society","2001","123","","10391","10392","10.1021/ja0109996","","","0.71073","MoKα","","0.0328","0.0279","","","0.0661","0.0693","","","","","","1.056","","","","has coordinates","178928","2020-10-21","18:00:00","" "4115727","11.0236","0.0002","12.0855","0.0002","16.662","0.0003","68.995","0.001","85.736","0.001","71.926","0.001","1968.35","0.06","203","2","203","2","","","","","","","","7","P -1","-P 1","2","","","","- C39 H30 Cl2 N O2 P2 W -","- C39 H30 Cl2 N O2 P2 W -","- C78 H60 Cl4 N2 O4 P4 W2 -","2","1","","Eric W. Ainscough; Andrew M. Brodie; Anthony K. Burrell; Steven M. F. Kennedy","An Unusual Reduction of an Imine Bond: The Isolation of a Stable π-Iminium Intermediate","Journal of the American Chemical Society","2001","123","","10391","10392","10.1021/ja0109996","","","0.71073","MoKα","","0.0218","0.0206","","","0.0531","0.0538","","","","","","1.019","","","","has coordinates","178928","2020-10-21","18:00:00","" "4115728","6.2271","0.0016","12.17","0.003","17.882","0.004","99.872","0.005","99.659","0.005","95.631","0.005","1304.9","0.5","158","2","158","2","","","","","","","","4","P -1","-P 1","2","Adamantyl bisnitroxide","","","- C31 H40 N2 O2 -","- C31 H40 N2 O2 -","- C62 H80 N4 O4 -","2","1","","David A. Shultz; Rosario M. Fico; Paul D. Boyle; Jeff W. Kampf","Observation of a Hysteretic Phase Transition in a Crystalline Dinitroxide Biradical That Leads to Magnetic Bistability","Journal of the American Chemical Society","2001","123","","10403","10404","10.1021/ja011341v","","","0.71073","MoKα","","0.0832","0.0433","","","0.0982","0.1099","","","","","","0.896","","","","has coordinates","178928","2020-10-21","18:00:00","" "4115729","6.1933","0.0004","11.495","0.001","17.478","0.002","104.577","0.008","99.635","0.008","94.942","0.008","1176.5","0.2","148","","148","","","","","","","","","4","P -1","-P 1","2","","","","- C28 H36 N2 O2 -","- C28 H36 N2 O2 -","- C56 H72 N4 O4 -","2","1","","David A. Shultz; Rosario M. Fico; Paul D. Boyle; Jeff W. Kampf","Observation of a Hysteretic Phase Transition in a Crystalline Dinitroxide Biradical That Leads to Magnetic Bistability","Journal of the American Chemical Society","2001","123","","10403","10404","10.1021/ja011341v","","","0.71073","MolybdenumKα","","0.052","0.051","","0.054","0.053","","","","","1.45","1.45","","","","","has coordinates","176467","2020-10-21","18:00:00","" "4115730","28.519","0.008","14.996","0.003","10.628","0.003","90","","96.35","0.03","90","","4517","2","296.2","","","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C25 H31 N2 O3.5 -","- C25 H31 N2 O3.5 -","- C200 H248 N16 O28 -","8","1","","Shunichi Fukuzumi; Yoshinori Fujii; Tomoyoshi Suenobu","Metal Ion-Catalyzed Cycloaddition vs Hydride Transfer Reactions of NADH Analogues with p-Benzoquinones","Journal of the American Chemical Society","2001","123","","10191","10199","10.1021/ja016370k","","","0.7107","MoKα","","","0.0654","","","","0.0704","","","","","","2.86","","","","has coordinates","176467","2020-10-21","18:00:00","" "4115731","7.771","0.0004","23.8998","0.0013","32.6762","0.0017","90","","90","","90","","6068.8","0.6","213","2","213","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C56 H44 Gd O12 P4 -","- C38.4 H32 Gd0.8 O21.152 P3.2 -","- C192 H160 Gd4 O105.76 P16 -","5","1.25","","Owen R. Evans; Helen L. Ngo; Wenbin Lin","Chiral Porous Solids Based on Lamellar Lanthanide Phosphonates","Journal of the American Chemical Society","2001","123","","10395","10396","10.1021/ja0163772","","","0.71073","MoKα","","0.1887","0.0974","","","0.1884","0.2239","","","","","","1.094","","","","has coordinates","178928","2020-10-21","18:00:00","" "4115732","9.134","0.003","14.592","0.005","15.832","0.006","90","","90","","90","","2110.1","1.3","298","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","1-cyanopropyl-4,5,7,8,9,10,11,12-octamethyl-1,2- dicarba-closo-dodecaborane(12)","","- C14 H33 B10 N -","- C14 H33 B10 N -","- C56 H132 B40 N4 -","4","1","","A. Maderna; A. Herzog; Carolyn B. Knobler; M. Frederick Hawthorne","The Syntheses of Amphiphilic Camouflaged Carboranes as Modules for Supramolecular Construction","Journal of the American Chemical Society","2001","123","","10423","10424","10.1021/ja016768g","","","1.5418","CuKα","","0.0802","0.0694","","","0.1919","0.2061","","","","","","1.03","","","","has coordinates","178928","2020-10-21","18:00:00","" "4115733","9.116","0.004","14.555","0.007","15.82","0.007","90","","90","","90","","2099.1","1.7","298","2","298","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","carboranyl chloride","4,5,7,8,9,10,11,12-octamethyl-1-(3-chloropropyl), 2-dicarba-closo-dodeca-borane(12)","","- C13 H33 B10 Cl -","- C13 H33 B10 Cl -","- C52 H132 B40 Cl4 -","4","1","","A. Maderna; A. Herzog; Carolyn B. Knobler; M. Frederick Hawthorne","The Syntheses of Amphiphilic Camouflaged Carboranes as Modules for Supramolecular Construction","Journal of the American Chemical Society","2001","123","","10423","10424","10.1021/ja016768g","","","0.71073","MoKα","","0.1759","0.0746","","","0.1767","0.2113","","","","","","0.917","","","","has coordinates","178928","2020-10-21","18:00:00","" "4115734","13.868","0.003","14.966","0.002","15.018","0.002","90","","92.527","0.011","90","","3113.9","0.9","163","2","163","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","Compound 2","","","- C35 H42 N4 O3 Pd -","- C35 H42 N4 O3 Pd -","- C140 H168 N16 O12 Pd4 -","4","1","","Pamela A. Lord; Bruce C. Noll; Marilyn M. Olmstead; Alan L. Balch","A Remarkable Skeletal Rearrangement of a Coordinated Tetrapyrrole: Chemical Consequences of Palladium π-Coordination to a Bilindione","Journal of the American Chemical Society","2001","123","","10554","10559","10.1021/ja010647z","","","0.71073","MoKα","","0.0817","0.0478","","","0.0871","0.1006","","","","","","1.03","","","","has coordinates","178928","2020-10-21","18:00:00","" "4115735","7.407","0.004","12.392","0.003","9.432","0.006","90","","102.58","0.02","90","","845","0.7","200","2","200","2","","","","","","","synthesis","4","P 1 21 1","P 2yb","4","","","","- C18 H27 N O2 -","- C18 H27 N O2 -","- C36 H54 N2 O4 -","2","1","","José Barluenga; Angel L. Suárez-Sobrino; Miguel Tomás; Santiago García-Granda; Rafael Santiago-García","Diastereo- and Enantioselective Cyclopropanation with Chromium Fischer Carbene Complexes: Alkenyl Oxazolines as Useful Achiral and Chiral Substrates","Journal of the American Chemical Society","2001","123","","10494","10501","10.1021/ja010719m","","","0.71073","MoKα","","0.1009","0.038","","","0.082","0.1015","","","","","","1.033","","","","has coordinates","178928","2020-10-21","18:00:00","" "4115736","13.7997","0.0004","23.8392","0.0002","21.7517","0.0007","90","0.0015","100.117","0.002","90","0.002","7044.5","0.3","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C54 H124 Cl2 N4 Si4 W2 -","- C52 H112 Cl2 N4 Si4 W2 -","- C208 H448 Cl8 N16 Si16 W8 -","4","1","","Stephen M. Holmes; Daniel F. Schafer; Peter T. Wolczanski; Emil B. Lobkovsky","Synthesis of (tBu3SiNH)2ClW\τbWCl(NHSitBu3)2 and Its Degradation via NH Bond Activation","Journal of the American Chemical Society","2001","123","","10571","10583","10.1021/ja010957h","","","0.71073","MoKα","","0.1726","0.097","","0.303","0.2486","","","","1.01","1.111","1.111","","","","","has coordinates","201982","2020-10-21","18:00:00","" "4115737","13.4342","0.0002","16.2068","0.0001","20.8307","0.0003","90","","90.477","0.001","90","","4535.22","0.1","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C36 H83 N3 Si3 W -","- C36 H82 N3 Si3 W -","- C144 H328 N12 Si12 W4 -","4","1","","Stephen M. Holmes; Daniel F. Schafer; Peter T. Wolczanski; Emil B. Lobkovsky","Synthesis of (tBu3SiNH)2ClW\τbWCl(NHSitBu3)2 and Its Degradation via NH Bond Activation","Journal of the American Chemical Society","2001","123","","10571","10583","10.1021/ja010957h","","","0.71073","MoKα","","0.0493","0.0319","","0.0943","0.0789","","","","1.088","1.039","1.039","","","","","has coordinates","201982","2020-10-21","18:00:00","" "4115738","13.7991","0.0011","24.343","0.002","16.7419","0.0014","90","","92.598","0.002","90","","5618","0.8","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C46 H93 Cl N5 Si3 W2 -","- C46 H93 Cl N5 Si3 W2 -","- C184 H372 Cl4 N20 Si12 W8 -","4","1","","Stephen M. Holmes; Daniel F. Schafer; Peter T. Wolczanski; Emil B. Lobkovsky","Synthesis of (tBu3SiNH)2ClW\τbWCl(NHSitBu3)2 and Its Degradation via NH Bond Activation","Journal of the American Chemical Society","2001","123","","10571","10583","10.1021/ja010957h","","","0.71073","MoKα","","0.1253","0.0451","","0.1079","0.0729","","","","0.993","1.059","1.059","","","","","has coordinates","178928","2020-10-21","18:00:00","" "4115739","11.999","0.002","12.801","0.003","23.17","0.005","90","","93.97","0.03","90","","3550.4","1.3","173","2","173","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C14.5 H29.5 Cl N1.5 Si W0.5 -","- C14.5 H29.5 Cl N1.5 Si W0.5 -","- C116 H236 Cl8 N12 Si8 W4 -","8","1","","Stephen M. Holmes; Daniel F. Schafer; Peter T. Wolczanski; Emil B. Lobkovsky","Synthesis of (tBu3SiNH)2ClW\τbWCl(NHSitBu3)2 and Its Degradation via NH Bond Activation","Journal of the American Chemical Society","2001","123","","10571","10583","10.1021/ja010957h","","","0.71073","MoKα","","0.0793","0.0418","","0.1203","0.0956","","","","0.984","1.02","1.02","","","","","has coordinates","176467","2020-10-21","18:00:00","" "4115740","12.081","0.002","12.08","0.002","29.08","0.006","90","","101.2","0.03","90","","4163.1","1.4","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C38 H65 Cl N2 Si2 W -","- C38 H Cl N2 Si2 W -","- C152 H4 Cl4 N8 Si8 W4 -","4","1","","Stephen M. Holmes; Daniel F. Schafer; Peter T. Wolczanski; Emil B. Lobkovsky","Synthesis of (tBu3SiNH)2ClW\τbWCl(NHSitBu3)2 and Its Degradation via NH Bond Activation","Journal of the American Chemical Society","2001","123","","10571","10583","10.1021/ja010957h","","","0.943","","","0.066","0.0626","","0.189","0.1846","","","","1.151","1.176","1.176","","","","","has coordinates","201982","2020-10-21","18:00:00","" "4115741","14.393","0.002","17.903","0.003","17.057","0.002","90","","110.903","0.003","90","","4105.9","1","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C38 H65 Cl N2 Si2 W -","- C38 H65 Cl N2 Si2 W -","- C152 H260 Cl4 N8 Si8 W4 -","4","1","","Stephen M. Holmes; Daniel F. Schafer; Peter T. Wolczanski; Emil B. Lobkovsky","Synthesis of (tBu3SiNH)2ClW\τbWCl(NHSitBu3)2 and Its Degradation via NH Bond Activation","Journal of the American Chemical Society","2001","123","","10571","10583","10.1021/ja010957h","","","0.71073","MoKα","","0.0656","0.0432","","","0.0856","0.0927","","","","","","0.988","","","","has coordinates","201982","2020-10-21","18:00:00","" "4115742","8.303","0.0003","8.303","0.0003","20.334","0.001","90","","90","","120","","1214.01","0.09","150","2","150","2","","","","","","","'hydrothermal synthesis at 200 deg C for 30 hours'","6","P -3 c 1","-P 3 2""c","165","csdab","","","- C3 H14 Co4 N O11 S -","- C4 H16 Co5.33333 N1.33333 O14.6667 S1.33333 -","- C12 H48 Co16 N4 O44 S4 -","3","0.25","","Apinpus Rujiwatra; Cameron J. Kepert; John B. Claridge; Matthew J. Rosseinsky; Hitoshi Kumagai; Mohamedally Kurmoo","Layered Cobalt Hydroxysulfates with Both Rigid and Flexible Organic Pillars: Synthesis, Structure, Porosity, and Cooperative Magnetism","Journal of the American Chemical Society","2001","123","","10584","10594","10.1021/ja0109848","","","0.689","synchrotron","","0.0817","0.0576","","","0.1388","0.1458","","","","","","1.074","","","","has coordinates","178928","2020-10-21","18:00:00","" "4115743","8.298","0.001","8.298","0.001","10.519","0.002","90","","90","","120","","627.27","0.16","150","2","150","2","","","","","","","'hydrothermal synthesis at 180 deg C for 3 days'","6","P -3","-P 3","147","csen","mu-ethylenediaminododecahydroxodisulfatooctacobalt(II)-6-water","","- C H16 Co4 N O13 S -","- C0.99 H9.96 Co4 N0.99 O12.97 S -","- C1.98 H19.92 Co8 N1.98 O25.94 S2 -","2","0.333333","","Apinpus Rujiwatra; Cameron J. Kepert; John B. Claridge; Matthew J. Rosseinsky; Hitoshi Kumagai; Mohamedally Kurmoo","Layered Cobalt Hydroxysulfates with Both Rigid and Flexible Organic Pillars: Synthesis, Structure, Porosity, and Cooperative Magnetism","Journal of the American Chemical Society","2001","123","","10584","10594","10.1021/ja0109848","","","0.71073","MoKα","","0.0881","0.0859","","","0.2179","0.2193","","","","","","1.321","","","","has coordinates","178928","2020-10-21","18:00:00","" "4115744","15.5258","0.0005","15.8918","0.0007","16.4589","0.0002","87.287","0.002","67.873","0.002","61.084","0.003","3247.1","0.2","150.2","","","","","","","","","","","4","P -1","-P 1","2","","","","- C82.51 H55.11 Cl1.68 N8 -","- C82.48 H55.11 Cl1.68 N8 -","- C164.96 H110.22 Cl3.36 N16 -","2","1","","Nagao Kobayashi; Takamitsu Fukuda; Keiji Ueno; Hiroshi Ogino","Extremely Non-Planar Phthalocyanines with Saddle or Helical Conformation: Synthesis and Structural Characterizations","Journal of the American Chemical Society","2001","123","","10740","10741","10.1021/ja0113753","","","0.7107","MoKα","","","0.0941","","","","0.2189","","","","","","2.443","","","","has coordinates","176467","2020-10-21","18:00:00","" "4115745","31.46","0.009","20.602","0.004","28.041","0.003","90","","115.608","0.001","90","","16389","6","150.2","","","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C105 H92 Co N8 O6 -","- C102.6 H64 Co N8 O5.1 -","- C820.8 H512 Co8 N64 O40.8 -","8","1","","Nagao Kobayashi; Takamitsu Fukuda; Keiji Ueno; Hiroshi Ogino","Extremely Non-Planar Phthalocyanines with Saddle or Helical Conformation: Synthesis and Structural Characterizations","Journal of the American Chemical Society","2001","123","","10740","10741","10.1021/ja0113753","","","0.7107","MoKα","","","0.086","","","","0.0971","","","","","","2.129","","","","has coordinates","176467","2020-10-21","18:00:00","" "4115746","12.3804","0.0007","12.3804","0.0007","46.505","0.002","90","","90","","90","","7128","0.6","123.2","","","","","","","","","","","6","P 41 21 2","P 4abw 2nw","92","","","","- C30 H26 Cl2 N12 O9 Zn -","- C30 H26 Cl2 N12 O9 Zn -","- C240 H208 Cl16 N96 O72 Zn8 -","8","1","","Masaaki Sasa; Kentaro Tanaka; Xian-He Bu; Motoo Shiro; Mitsuhiko Shionoya","Spontaneously Resolved Chiral Interpenetrating 3-D Nets with Two Different Zinc Coordination Polymers","Journal of the American Chemical Society","2001","123","","10750","10751","10.1021/ja0116324","","","0.7107","MoKα","","","0.069","","","","0.1683","","","","","","1.098","","","","has coordinates","176467","2020-10-21","18:00:00","" "4115747","23.3007","0.0005","25.0356","0.0001","11.6313","0.0002","90","","90","","90","","6785.08","0.19","223","2","223","2","","","","","","","","3","C m m m","-C 2 2","65","","","","- C28 H32 O12 -","- C28 H16 O12 -","- C224 H128 O96 -","8","0.5","","Byung Hee Hong; Jin Yong Lee; Chi-Wan Lee; Jong Chan Kim; Sung Chul Bae; Kwang S. Kim","Self-Assembled Arrays of Organic Nanotubes with Infinitely Long One-Dimensional H-Bond Chains","Journal of the American Chemical Society","2001","123","","10748","10749","10.1021/ja016526g","","","0.71073","MoKα","","0.1104","0.0866","","","0.2891","0.3146","","","","","","1.206","","","","has coordinates","178928","2020-10-21","18:00:00","" "4115748","9.334","0.0002","16.319","0.0008","18.148","0.0008","90","","90","","90","","2764.33","0.19","150.1","","","","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C24 H33 F4 K N2 O6 Si -","- C24 H33 F4 K N2 O6 Si -","- C96 H132 F16 K4 N8 O24 Si4 -","4","1","","Naokazu Kano; Fuminori Komatsu; Takayuki Kawashima","Reversible Photocontrol of the Coordination Number of Silicon in a Tetrafluorosilicate Bearing a 2-(Phenylazo)phenyl Group","Journal of the American Chemical Society","2001","123","","10778","10779","10.1021/ja0165739","","","0.7107","MoKα","","","0.045","","","","0.145","","","","","","0.99","","","","has coordinates","176467","2020-10-21","18:00:00","" "4115749","16.6407","0.0007","13.1648","0.0006","26.062","0.001","90","","92.144","0.002","90","","5705.4","0.4","123.2","","","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C29 H33 Cl3 N O Sb -","- C29 H33 Cl3 N O Sb -","- C232 H264 Cl24 N8 O8 Sb8 -","8","2","","Yoshihiro Matano; Hazumi Nomura; Hitomi Suzuki; Motoo Shiro; Haruyuki Nakano","Synthesis, Structure, and Reactions of (Acylimino)triaryl-λ5-bismuthanes: First Comparative Study of the (Acylimino)pnictorane Series","Journal of the American Chemical Society","2001","123","","10954","10965","10.1021/ja003623l","","","0.7107","MoKα","","","0.0488","","","","0.1372","","","","","","0.947","","","","has coordinates","201982","2020-10-21","18:00:00","" "4115750","9.469","0.003","19.063","0.004","10.976","0.004","90","","94.9","0.03","90","","1974","1","298.7","","","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C20 H15 Cl3 N O P -","- C20 H15 Cl3 N O P -","- C80 H60 Cl12 N4 O4 P4 -","4","1","","Yoshihiro Matano; Hazumi Nomura; Hitomi Suzuki; Motoo Shiro; Haruyuki Nakano","Synthesis, Structure, and Reactions of (Acylimino)triaryl-λ5-bismuthanes: First Comparative Study of the (Acylimino)pnictorane Series","Journal of the American Chemical Society","2001","123","","10954","10965","10.1021/ja003623l","","","0.7107","MoKα","","","0.0428","","","","0.1321","","","","","","1.11","","","","has coordinates","201982","2020-10-21","18:00:00","" "4115751","8.776","0.002","17.577","0.004","15.875","0.004","90","","96.1","0.02","90","","2434.9","1","143.2","","","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C23 H21 Bi Cl3 N O4 -","- C23 H21 Bi Cl3 N O4 -","- C92 H84 Bi4 Cl12 N4 O16 -","4","1","","Yoshihiro Matano; Hazumi Nomura; Hitomi Suzuki; Motoo Shiro; Haruyuki Nakano","Synthesis, Structure, and Reactions of (Acylimino)triaryl-λ5-bismuthanes: First Comparative Study of the (Acylimino)pnictorane Series","Journal of the American Chemical Society","2001","123","","10954","10965","10.1021/ja003623l","","","0.7107","MoKα","","","0.0251","","","","0.0342","","","","","","1.11","","","","has coordinates","201982","2020-10-21","18:00:00","" "4115752","9.4395","0.0004","19.098","0.001","10.8085","0.0006","90","","95.312","0.002","90","","1940.14","0.17","123.2","","","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C20 H15 As Cl3 N O -","- C20 H15 As Cl3 N O -","- C80 H60 As4 Cl12 N4 O4 -","4","1","","Yoshihiro Matano; Hazumi Nomura; Hitomi Suzuki; Motoo Shiro; Haruyuki Nakano","Synthesis, Structure, and Reactions of (Acylimino)triaryl-λ5-bismuthanes: First Comparative Study of the (Acylimino)pnictorane Series","Journal of the American Chemical Society","2001","123","","10954","10965","10.1021/ja003623l","","","0.7107","MoKα","","","0.0255","","","","0.0541","","","","","","0.997","","","","has coordinates","201982","2020-10-21","18:00:00","" "4115753","12.442","0.0008","5.7616","0.0004","15.8823","0.0011","90","","111.81","0.001","90","","1057.04","0.12","373","","373","","","","","","","","","2","P 1 21/a 1","-P 2yab","14","(E)-stilbene","(E)-1,2-diphenylethene","","- C14 H12 -","- C14 H12 -","- C56 H48 -","4","1","","Jun Harada; Keiichiro Ogawa","Invisible but Common Motion in Organic Crystals: A Pedal Motion in Stilbenes and Azobenzenes","Journal of the American Chemical Society","2001","123","","10884","10888","10.1021/ja011197d","","","0.71073","MoKα","","0.0706","0.0506","","","0.1534","0.1677","","","","","","1.078","","","","has coordinates,has disorder","178928","2020-10-21","18:00:00","" "4115754","12.4056","0.0007","5.7411","0.0003","15.7977","0.0008","90","","111.851","0.001","90","","1044.3","0.1","340","","340","","","","","","","","","2","P 1 21/a 1","-P 2yab","14","(E)-stilbene","(E)-1,2-diphenylethene","","- C14 H12 -","- C14 H12 -","- C56 H48 -","4","1","","Jun Harada; Keiichiro Ogawa","Invisible but Common Motion in Organic Crystals: A Pedal Motion in Stilbenes and Azobenzenes","Journal of the American Chemical Society","2001","123","","10884","10888","10.1021/ja011197d","","","0.71073","MoKα","","0.0642","0.049","","","0.1469","0.1592","","","","","","1.072","","","","has coordinates,has disorder","178928","2020-10-21","18:00:00","" "4115755","12.3803","0.0006","5.7259","0.0003","15.7236","0.0008","90","","111.895","0.001","90","","1034.22","0.09","300","","300","","","","","","","","","2","P 1 21/a 1","-P 2yab","14","(E)-stilbene","(E)-1,2-diphenylethene","","- C14 H12 -","- C14 H12 -","- C56 H48 -","4","1","","Jun Harada; Keiichiro Ogawa","Invisible but Common Motion in Organic Crystals: A Pedal Motion in Stilbenes and Azobenzenes","Journal of the American Chemical Society","2001","123","","10884","10888","10.1021/ja011197d","","","0.71073","MoKα","","0.0585","0.047","","","0.1394","0.1488","","","","","","1.098","","","","has coordinates,has disorder","178928","2020-10-21","18:00:00","" "4115756","12.2995","0.0006","5.6766","0.0003","15.5154","0.0007","90","","111.982","0.001","90","","1004.52","0.09","150","","150","","","","","","","","","2","P 1 21/a 1","-P 2yab","14","(E)-stilbene","(E)-1,2-diphenylethene","","- C14 H12 -","- C14 H12 -","- C56 H48 -","4","1","","Jun Harada; Keiichiro Ogawa","Invisible but Common Motion in Organic Crystals: A Pedal Motion in Stilbenes and Azobenzenes","Journal of the American Chemical Society","2001","123","","10884","10888","10.1021/ja011197d","","","0.71073","MoKα","","0.0431","0.0397","","","0.1082","0.111","","","","","","1.088","","","","has coordinates,has disorder","178928","2020-10-21","18:00:00","" "4115757","6.8119","0.0007","7.1517","0.0008","7.6887","0.0008","67.502","0.002","74.118","0.002","79.837","0.002","331.76","0.06","300","","300","","","","","","","","","3","P -1","-P 1","2","","(E)-3,3',4,4'-tetramethylazobenzene","","- C16 H18 N2 -","- C16 H18 N2 -","- C16 H18 N2 -","1","0.5","","Jun Harada; Keiichiro Ogawa","Invisible but Common Motion in Organic Crystals: A Pedal Motion in Stilbenes and Azobenzenes","Journal of the American Chemical Society","2001","123","","10884","10888","10.1021/ja011197d","","","0.71073","MoKα","","0.0601","0.0489","","","0.1408","0.1511","","","","","","1.044","","","","has coordinates","178928","2020-10-21","18:00:00","" "4115758","6.81","0.01","7.207","0.011","7.793","0.012","67.39","0.03","73.82","0.03","79.93","0.03","338.1","0.9","373","","373","","","","","","","","","3","P -1","-P 1","2","","(E)-3,3',4,4'-tetramethylazobenzene","","- C16 H18 N2 -","- C16 H18 N2 -","- C16 H18 N2 -","1","0.5","","Jun Harada; Keiichiro Ogawa","Invisible but Common Motion in Organic Crystals: A Pedal Motion in Stilbenes and Azobenzenes","Journal of the American Chemical Society","2001","123","","10884","10888","10.1021/ja011197d","","","0.71073","MoKα","","0.0759","0.056","","","0.1654","0.1837","","","","","","1.068","","","","has coordinates","178928","2020-10-21","18:00:00","" "4115759","6.8127","0.0007","7.1529","0.0007","7.6903","0.0008","67.508","0.002","74.153","0.002","79.857","0.002","332","0.06","300","","300","","","","","","","","","3","P -1","-P 1","2","","(E)-3,3',4,4'-tetramethylazobenzene","","- C16 H18 N2 -","- C16 H18 N2 -","- C16 H18 N2 -","1","0.5","","Jun Harada; Keiichiro Ogawa","Invisible but Common Motion in Organic Crystals: A Pedal Motion in Stilbenes and Azobenzenes","Journal of the American Chemical Society","2001","123","","10884","10888","10.1021/ja011197d","","","0.71073","MoKα","","0.0591","0.0484","","","0.1398","0.1494","","","","","","1.056","","","","has coordinates","178928","2020-10-21","18:00:00","" "4115760","13.7798","0.0004","10.6379","0.0003","27.2058","0.0009","90","","104.034","0.001","90","","3869","0.2","200","2","200","2","","","","","","","chemical synthesis","3","P 1 21/c 1","-P 2ybc","14","","5,6,8-Tri(t-butyl)-2,3-bis(4-bromophenyl)-1,4-diphenylnaphthalene","","- C46 H46 Br2 -","- C46 H46 Br2 -","- C184 H184 Br8 -","4","1","","Jiajia Zhang; Douglas M. Ho; Robert A. Pascal","Synthesis of an Extremely Crowded Naphthalene via a Stable Norbornadienone","Journal of the American Chemical Society","2001","123","","10919","10926","10.1021/ja011453m","","","0.71073","MoKα","","0.0788","0.049","","0.1132","0.1005","","","","1.019","1.075","1.075","","","","","has coordinates","201982","2020-10-21","18:00:00","" "4115761","8.9237","0.001","8.9237","0.001","13.4474","0.0013","90","","90","","120","","927.38","0.17","200","2","200","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C6 H8 F4 I2 O2 -","- C6 H8.04 F3.96 I2 O2 -","- C18 H24.12 F11.88 I6 O6 -","3","0.166667","","Qianli Chu; Zhemin Wang; Qichen Huang; Chunhua Yan; Shizheng Zhu","Fluorine-Containing Donor-Acceptor Complex: Infinite Chain Formed by Oxygen...Iodine Interaction","Journal of the American Chemical Society","2001","123","","11069","11070","10.1021/ja015786v","","","0.71073","MoKα","","0.0819","0.0438","","","0.1006","0.1183","","","","","","1.047","","","","has coordinates","178928","2020-10-21","18:00:00","" "4115762","20.312","0.004","8.679","0.008","12.045","0.004","90","","90","","90","","2123","2","293","2","293","2","","","","","","","","7","P c a 21","P 2c -2ac","29","","","","- C10 H18 F8 I2 N3 O P -","- C10 H18 F8 I2 N3 O P -","- C40 H72 F32 I8 N12 O4 P4 -","4","1","","Qianli Chu; Zhemin Wang; Qichen Huang; Chunhua Yan; Shizheng Zhu","Fluorine-Containing Donor-Acceptor Complex: Infinite Chain Formed by Oxygen...Iodine Interaction","Journal of the American Chemical Society","2001","123","","11069","11070","10.1021/ja015786v","","","0.71069","MoKα","","0.0852","0.0556","","","0.1481","0.1721","","","","","","1.042","","","","has coordinates","178928","2020-10-21","18:00:00","" "4115763","15.7317","0.0008","15.5288","0.0008","15.6907","0.0008","90","","90","","90","","3833.2","0.3","193","2","193","2","","","","","","","","3","P 21 21 2","P 2 2ab","18","Cp*2ZrH2","","","- C20 H32 Zr -","- C20 H32 Zr -","- C160 H256 Zr8 -","8","2","","Bradley M. Kraft; Rene J. Lachicotte; William D. Jones","Aliphatic and Aromatic Carbon-Fluorine Bond Activation with Cp*2ZrH2: Mechanisms of Hydrodefluorination","Journal of the American Chemical Society","2001","123","","10973","10979","10.1021/ja016087l","","","0.71073","MoKα","","0.0604","0.0391","","","0.0707","0.0767","","","","","","0.892","","","","has coordinates","178928","2020-10-21","18:00:00","" "4115764","15.4715","0.0007","15.6123","0.0007","15.7459","0.0007","90","","90","","90","","3803.4","0.3","193","2","193","2","","","","","","","","4","P 21 21 2","P 2 2ab","18","Cp*2ZrHF","","","- C20 H30 F Zr -","- C20 H30 F Zr -","- C160 H240 F8 Zr8 -","8","2","","Bradley M. Kraft; Rene J. Lachicotte; William D. Jones","Aliphatic and Aromatic Carbon-Fluorine Bond Activation with Cp*2ZrH2: Mechanisms of Hydrodefluorination","Journal of the American Chemical Society","2001","123","","10973","10979","10.1021/ja016087l","","","0.71073","MoKα","","0.0593","0.0491","","0.1231","0.1174","","","","1.004","1.032","1.032","","","","","has coordinates","178928","2020-10-21","18:00:00","" "4115765","22.826","0.0019","20.6214","0.0017","16.1659","0.0014","90","","92.167","0.002","90","","7603.9","1.1","193","2","193","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","Cp*2ZrF2","","","- C20 H30 F2 Zr -","- C20 H30 F2 Zr -","- C320 H480 F32 Zr16 -","16","2","","Bradley M. Kraft; Rene J. Lachicotte; William D. Jones","Aliphatic and Aromatic Carbon-Fluorine Bond Activation with Cp*2ZrH2: Mechanisms of Hydrodefluorination","Journal of the American Chemical Society","2001","123","","10973","10979","10.1021/ja016087l","","","0.71073","MoKα","","0.123","0.0906","","","0.2242","0.2347","","","","","","1.446","","","","has coordinates","178928","2020-10-21","18:00:00","" "4115766","16.6842","0.0007","9.4119","0.0004","14.7948","0.0006","90","","90","","90","","2323.23","0.17","193","2","193","2","","","","","","","","4","P n a 21","P 2c -2n","33","Cp*2Zr(o-C6H4F)H","","","- C26 H35 F Zr -","- C26 H35 F Zr -","- C104 H140 F4 Zr4 -","4","1","","Bradley M. Kraft; Rene J. Lachicotte; William D. Jones","Aliphatic and Aromatic Carbon-Fluorine Bond Activation with Cp*2ZrH2: Mechanisms of Hydrodefluorination","Journal of the American Chemical Society","2001","123","","10973","10979","10.1021/ja016087l","","","0.71073","MoKα","","0.071","0.068","","","0.1978","0.2013","","","","","","0.932","","","","has coordinates","178928","2020-10-21","18:00:00","" "4115767","16.5518","0.0007","17.2823","0.0007","18.9291","0.0008","82.373","0.001","67.39","0.001","67.911","0.001","4631.2","0.3","193","2","193","2","","","","","","","","4","P -1","-P 1","2","Cp*2Zr(C6H5)F","","","- C26 H35 F Zr -","- C26 H35 F Zr -","- C208 H280 F8 Zr8 -","8","4","","Bradley M. Kraft; Rene J. Lachicotte; William D. Jones","Aliphatic and Aromatic Carbon-Fluorine Bond Activation with Cp*2ZrH2: Mechanisms of Hydrodefluorination","Journal of the American Chemical Society","2001","123","","10973","10979","10.1021/ja016087l","","","0.71073","MoKα","","0.0497","0.0371","","","0.1046","0.1156","","","","","","0.765","","","","has coordinates","178928","2020-10-21","18:00:00","" "4115768","11.3984","0.0001","21.21","0.0004","12.5746","0.0002","90","","100.347","0.001","90","","2990.6","0.08","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C57 H79 Cl Co N6 O15.5 -","- C57 H70 Cl Co N6 O15.5 -","- C114 H140 Cl2 Co2 N12 O31 -","2","1","","Magalie Claeys-Bruno; Dawn Toronto; Jacques Pécaut; Michel Bardet; Jean-Claude Marchon","Three-Point versus Two-Point Attachment of (R)- and (S)-Amino Acid Methyl Esters to a Cobalt(III) Chiroporphyrin: Implications for the Analysis of Amino Acid Enantiomers by 1H NMR Spectroscopy","Journal of the American Chemical Society","2001","123","","11067","11068","10.1021/ja016494x","","","0.71073","MoKα","","0.1217","0.0975","","","0.2566","0.2826","","","","","","1.047","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00","" "4115769","24.378","0.012","12.601","0.004","12.28","0.007","90","","113.7","0.05","90","","3454","3","193","2","193","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C64 H84 Cl7 Co N6 O12 -","- C64 H84 Cl7 Co N6 O12 -","- C128 H168 Cl14 Co2 N12 O24 -","2","0.5","","Magalie Claeys-Bruno; Dawn Toronto; Jacques Pécaut; Michel Bardet; Jean-Claude Marchon","Three-Point versus Two-Point Attachment of (R)- and (S)-Amino Acid Methyl Esters to a Cobalt(III) Chiroporphyrin: Implications for the Analysis of Amino Acid Enantiomers by 1H NMR Spectroscopy","Journal of the American Chemical Society","2001","123","","11067","11068","10.1021/ja016494x","","","0.71073","MoKα","","0.0887","0.0506","","","0.1094","0.1266","","","","","","0.899","","","","has coordinates","178928","2020-10-21","18:00:00","" "4115770","13.24","0.003","13.96","0.003","19.037","0.004","71.581","0.004","77.543","0.004","75.193","0.004","3192.4","1.2","193","2","193","2","","","","","","","","6","P 1","P 1","1","","","","- C59 H75.5 Cl4 Co N6 O14.25 -","- C59 H75 Cl4 Co N6 O14.25 -","- C118 H150 Cl8 Co2 N12 O28.5 -","2","2","","Magalie Claeys-Bruno; Dawn Toronto; Jacques Pécaut; Michel Bardet; Jean-Claude Marchon","Three-Point versus Two-Point Attachment of (R)- and (S)-Amino Acid Methyl Esters to a Cobalt(III) Chiroporphyrin: Implications for the Analysis of Amino Acid Enantiomers by 1H NMR Spectroscopy","Journal of the American Chemical Society","2001","123","","11067","11068","10.1021/ja016494x","","","0.71073","MoKα","","0.2642","0.0642","","","0.1257","0.215","","","","","","0.79","","","","has coordinates","176467","2020-10-21","18:00:00","" "4115771","11.7375","0.0006","22.5981","0.0013","31.3184","0.0015","90","","90","","90","","8307.1","0.8","193","2","193","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C72 H82 Cl13 Co N6 O14 -","- C72 H82 Cl13 Co N6 O14 -","- C288 H328 Cl52 Co4 N24 O56 -","4","1","","Magalie Claeys-Bruno; Dawn Toronto; Jacques Pécaut; Michel Bardet; Jean-Claude Marchon","Three-Point versus Two-Point Attachment of (R)- and (S)-Amino Acid Methyl Esters to a Cobalt(III) Chiroporphyrin: Implications for the Analysis of Amino Acid Enantiomers by 1H NMR Spectroscopy","Journal of the American Chemical Society","2001","123","","11067","11068","10.1021/ja016494x","","","0.71073","MoKα","","0.18","0.0644","","","0.142","0.1774","","","","","","0.841","","","","has coordinates","178928","2020-10-21","18:00:00","" "4115772","17.0919","0.0007","19.9345","0.0008","23.5472","0.0008","90","","90","","90","","8023","0.5","193","2","193","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C66 H82 Cl13 Co N6 O16 -","- C66 H82 Cl13 Co N6 O16 -","- C264 H328 Cl52 Co4 N24 O64 -","4","1","","Magalie Claeys-Bruno; Dawn Toronto; Jacques Pécaut; Michel Bardet; Jean-Claude Marchon","Three-Point versus Two-Point Attachment of (R)- and (S)-Amino Acid Methyl Esters to a Cobalt(III) Chiroporphyrin: Implications for the Analysis of Amino Acid Enantiomers by 1H NMR Spectroscopy","Journal of the American Chemical Society","2001","123","","11067","11068","10.1021/ja016494x","","","0.71073","MoKα","","0.1192","0.0597","","","0.1473","0.1659","","","","","","0.928","","","","has coordinates","178928","2020-10-21","18:00:00","" "4115773","12.1118","0.0002","33.1982","0.0005","11.0644","0.0001","90","","90","","90","","4448.88","0.11","295.2","","","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C38 H55 Cl2 N7 Ni2 O11 -","- C38 H55 Cl2 N7 Ni2 O11 -","- C152 H220 Cl8 N28 Ni8 O44 -","4","1","","Shinobu Itoh; Hideki Bandoh; Motonobu Nakagawa; Shigenori Nagatomo; Teizo Kitagawa; Kenneth D. Karlin; Shunichi Fukuzumi","Formation, Characterization, and Reactivity of Bis(μ-oxo)dinickel(III) Complexes Supported by A Series of Bis[2-(2-pyridyl)ethyl]amine Ligands","Journal of the American Chemical Society","2001","123","","11168","11178","10.1021/ja0104094","","","0.7107","MoKα","","","0.0451","","","","0.063","","","","","","0.756","","","","has coordinates","176467","2020-10-21","18:00:00","" "4115774","10.2036","0.0008","16.656","0.001","13.363","0.001","90","","105.302","0.003","90","","2190.5","0.3","85.2","","","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C44 H52 Cl2 N6 Ni2 O10 -","- C88 H104 Cl2 N12 Ni4 O12 -","- C176 H208 Cl4 N24 Ni8 O24 -","2","0.5","","Shinobu Itoh; Hideki Bandoh; Motonobu Nakagawa; Shigenori Nagatomo; Teizo Kitagawa; Kenneth D. Karlin; Shunichi Fukuzumi","Formation, Characterization, and Reactivity of Bis(μ-oxo)dinickel(III) Complexes Supported by A Series of Bis[2-(2-pyridyl)ethyl]amine Ligands","Journal of the American Chemical Society","2001","123","","11168","11178","10.1021/ja0104094","","","0.7107","MoKα","","","0.0411","","","","0.058","","","","","","0.712","","","","has coordinates","176467","2020-10-21","18:00:00","" "4115775","16.049","0.002","11.0619","0.0007","15.772","0.002","90","","117.132","0.004","90","","2491.9","0.5","296","","296","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","Pt2(EtCS2)4I2","","","- C12 H20 I2 Pt2 S8 -","- C12 H20 I2 Pt2 S8 -","- C48 H80 I8 Pt8 S32 -","4","1","","Minoru Mitsumi; Tomoko Murase; Hideyuki Kishida; Tetsuya Yoshinari; Yoshiki Ozawa; Koshiro Toriumi; Takuya Sonoyama; Hiroshi Kitagawa; Tadaoki Mitani","Metallic Behavior and Periodical Valence Ordering in a MMX Chain Compound, Pt2(EtCS2)4I","Journal of the American Chemical Society","2001","123","","11179","11192","10.1021/ja010900v","","","0.71069","MoKα","","","0.0332","","","0.0378","","","","","1.278","1.278","","","","","has coordinates","176467","2020-10-21","18:00:00","" "4115776","17.369","0.002","8.5903","0.0006","18.44","0.003","90","","125.317","0.005","90","","2245","0.5","115","","115","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","Pt2(EtCS2)4I","","","- C12 H20 I Pt2 S8 -","- C12 H20 I Pt2 S8 -","- C48 H80 I4 Pt8 S32 -","4","0.5","","Minoru Mitsumi; Tomoko Murase; Hideyuki Kishida; Tetsuya Yoshinari; Yoshiki Ozawa; Koshiro Toriumi; Takuya Sonoyama; Hiroshi Kitagawa; Tadaoki Mitani","Metallic Behavior and Periodical Valence Ordering in a MMX Chain Compound, Pt2(EtCS2)4I","Journal of the American Chemical Society","2001","123","","11179","11192","10.1021/ja010900v","","","0.71069","MoKα","","","0.0258","","","0.0398","","","","","1.708","1.708","","","","","has coordinates","176467","2020-10-21","18:00:00","" "4115777","17.41","0.01","8.602","0.002","18.47","0.01","90","","125.31","0.03","90","","2257","2","149","","149","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","Pt2(EtCS2)4I2","","","- C12 H20 I Pt2 S8 -","- C12 H20 I Pt2 S8 -","- C48 H80 I4 Pt8 S32 -","4","0.5","","Minoru Mitsumi; Tomoko Murase; Hideyuki Kishida; Tetsuya Yoshinari; Yoshiki Ozawa; Koshiro Toriumi; Takuya Sonoyama; Hiroshi Kitagawa; Tadaoki Mitani","Metallic Behavior and Periodical Valence Ordering in a MMX Chain Compound, Pt2(EtCS2)4I","Journal of the American Chemical Society","2001","123","","11179","11192","10.1021/ja010900v","","","0.71069","MoKα","","","0.0313","","","0.0467","","","","","1.77","1.77","","","","","has coordinates","176467","2020-10-21","18:00:00","" "4115778","17.4","0.01","8.61","0.002","18.49","0.01","90","","125.22","0.02","90","","2263","1.9","184","","184","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","Pt2(EtCS2)4I","","","- C12 H20 I Pt2 S8 -","- C12 H20 I Pt2 S8 -","- C48 H80 I4 Pt8 S32 -","4","0.5","","Minoru Mitsumi; Tomoko Murase; Hideyuki Kishida; Tetsuya Yoshinari; Yoshiki Ozawa; Koshiro Toriumi; Takuya Sonoyama; Hiroshi Kitagawa; Tadaoki Mitani","Metallic Behavior and Periodical Valence Ordering in a MMX Chain Compound, Pt2(EtCS2)4I","Journal of the American Chemical Society","2001","123","","11179","11192","10.1021/ja010900v","","","0.71069","MoKα","","","0.0308","","","0.0478","","","","","1.801","1.801","","","","","has coordinates","176467","2020-10-21","18:00:00","" "4115779","17.417","0.004","8.639","0.001","18.525","0.004","90","","125.14","0.01","90","","2279.4","0.8","252","","252","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","Pt2(EtCS2)4I","","","- C12 H20 I Pt2 S8 -","- C12 H20 I Pt2 S8 -","- C48 H80 I4 Pt8 S32 -","4","0.5","","Minoru Mitsumi; Tomoko Murase; Hideyuki Kishida; Tetsuya Yoshinari; Yoshiki Ozawa; Koshiro Toriumi; Takuya Sonoyama; Hiroshi Kitagawa; Tadaoki Mitani","Metallic Behavior and Periodical Valence Ordering in a MMX Chain Compound, Pt2(EtCS2)4I","Journal of the American Chemical Society","2001","123","","11179","11192","10.1021/ja010900v","","","0.71069","MoKα","","","0.0358","","","0.0534","","","","","1.961","1.961","","","","","has coordinates","176467","2020-10-21","18:00:00","" "4115780","17.438","0.005","8.644","0.001","18.569","0.006","90","","125.05","0.01","90","","2291.4","1.1","293","","293","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","Pt2(EtCS2)4I","","","- C12 H20 I Pt2 S8 -","- C12 H20 I Pt2 S8 -","- C48 H80 I4 Pt8 S32 -","4","0.5","","Minoru Mitsumi; Tomoko Murase; Hideyuki Kishida; Tetsuya Yoshinari; Yoshiki Ozawa; Koshiro Toriumi; Takuya Sonoyama; Hiroshi Kitagawa; Tadaoki Mitani","Metallic Behavior and Periodical Valence Ordering in a MMX Chain Compound, Pt2(EtCS2)4I","Journal of the American Chemical Society","2001","123","","11179","11192","10.1021/ja010900v","","","0.71069","MoKα","","","0.0256","","","0.0343","","","","","1.386","1.386","","","","","has coordinates","176467","2020-10-21","18:00:00","" "4115781","17.476","0.003","8.6663","0.0007","18.667","0.003","90","","125.004","0.007","90","","2315.8","0.6","377","","377","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","Pt2(EtCS2)4I","","","- C12 H20 I Pt2 S8 -","- C12 H20 I Pt2 S8 -","- C48 H80 I4 Pt8 S32 -","4","0.5","","Minoru Mitsumi; Tomoko Murase; Hideyuki Kishida; Tetsuya Yoshinari; Yoshiki Ozawa; Koshiro Toriumi; Takuya Sonoyama; Hiroshi Kitagawa; Tadaoki Mitani","Metallic Behavior and Periodical Valence Ordering in a MMX Chain Compound, Pt2(EtCS2)4I","Journal of the American Chemical Society","2001","123","","11179","11192","10.1021/ja010900v","","","0.71069","MoKα","","","0.0274","","","0.035","","","","","1.316","1.316","","","","","has coordinates","176467","2020-10-21","18:00:00","" "4115782","7.1459","0.001","4.5094","0.0007","17.904","0.003","90","","92.89","0.005","90","","576.2","0.15","173","2","173","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C12 H16 O5 -","- C12 H16 O5 -","- C24 H32 O10 -","2","1","","Chaomin Li; Emily A. Pace; Mei-Chih Liang; Emil Lobkovsky; Thomas D. Gilmore; John A. Porco","Total Synthesis of the NF-κB Inhibitor (-)-Cycloepoxydon: Utilization of Tartrate-Mediated Nucleophilic Epoxidation","Journal of the American Chemical Society","2001","123","","11308","11309","10.1021/ja0169769","","","0.71073","MoKα","","0.0695","0.0519","","","0.1186","0.1268","","","","","","1.046","","","","has coordinates","178928","2020-10-21","18:00:00","" "4115783","8.8454","0.0008","18.724","0.0016","13.662","0.0011","90","","90.216","0.004","90","","2262.7","0.3","173","2","173","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C12 H16 O5 -","- C12 H16 O5 -","- C96 H128 O40 -","8","2","","Chaomin Li; Emily A. Pace; Mei-Chih Liang; Emil Lobkovsky; Thomas D. Gilmore; John A. Porco","Total Synthesis of the NF-κB Inhibitor (-)-Cycloepoxydon: Utilization of Tartrate-Mediated Nucleophilic Epoxidation","Journal of the American Chemical Society","2001","123","","11308","11309","10.1021/ja0169769","","","0.71073","MoKα","","0.0739","0.0472","","","0.1006","0.1114","","","","","","1.044","","","","has coordinates","178928","2020-10-21","18:00:00","" "4115784","20.33","0.0009","23.1692","0.0011","32.0081","0.0015","90","","90","","90","","15076.8","1.2","158","2","158","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C78 H117.5 N8.5 O38 Zn4 -","- C78 H36 N8.5 O38 Zn4 -","- C312 H144 N34 O152 Zn16 -","4","1","","Hee K. Chae; Mohamed Eddaoudi; Jaheon Kim; Sheila I. Hauck; John F. Hartwig; Michael O'Keeffe; Omar M. Yaghi","Tertiary Building Units: Synthesis, Structure, and Porosity of a Metal-Organic Dendrimer Framework (MODF-1)","Journal of the American Chemical Society","2001","123","","11482","11483","10.1021/ja011692+","","","0.71073","MoKα","","0.1419","0.0885","","","0.2331","0.2723","","","","","","1.038","","","","has coordinates","176467","2020-10-21","18:00:00","" "4115785","20.8599","0.0009","12.1728","0.0005","22.338","0.001","90","","102.134","0.002","90","","5545.4","0.4","173.2","","173.2","","","","","","","","","7","P 1 2 1","P 2y","3","","","","- C63 H69 B F K N2 O7 -","- C63 H66 B F K N2 O7 -","- C252 H264 B4 F4 K4 N8 O28 -","4","2","","Shigehiro Yamaguchi; Seiji Akiyama; Kohei Tamao","Colorimetric Fluoride Ion Sensing by Boron-Containing π-Electron Systems","Journal of the American Chemical Society","2001","123","","11372","11375","10.1021/ja015957w","","","0.7107","MoKα","","0.0641","0.0641","","","0.0843","0.0843","","","","","","1.235","","","","has coordinates","176467","2020-10-21","18:00:00","" "4115786","11.2725","0.0002","13.8904","0.0004","10.0939","0.0007","98.505","0.004","106.936","0.004","91.615","0.001","1491.08","0.12","230.2","","","","","","","","","","","7","P -1","-P 1","2","","","","- C34 H24 Cl2 Fe N5 O2 Se -","- C34 H24 Cl2 Fe N5 O2 Se -","- C68 H48 Cl4 Fe2 N10 O4 Se2 -","2","1","","Shinya Hayami; Zhong-ze Gu; Hajime Yoshiki; Akira Fujishima; Osamu Sato","Iron(III) Spin-Crossover Compounds with a Wide Apparent Thermal Hysteresis around Room Temperature","Journal of the American Chemical Society","2001","123","","11644","11650","10.1021/ja0017920","","","0.7107","MoKα","","","0.0443","","","","0.1159","","","","","","1.665","","","","has coordinates","176467","2020-10-21","18:00:00","" "4115787","8.227","0.004","25.656","0.011","9.808","0.004","90","","95.71","0.03","90","","2059.9","1.6","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H36 As4 Cl12 Se6 -","- C18 H36 As4 Cl12 Se6 -","- C36 H72 As8 Cl24 Se12 -","2","0.5","","Andrew J. Barton; Nicholas J. Hill; William Levason; Gillian Reid","Synthesis and Structural Properties of the First Macrocyclic Selenoether Complex of Arsenic(III): A Rare Example of Exo and Endo Coordination in a Single Species","Journal of the American Chemical Society","2001","123","","11801","11802","10.1021/ja0110527","","","0.71073","MoKα","","0.0789","0.0347","","","0.0831","0.0969","","","","","","1.029","","","","has coordinates","178928","2020-10-21","18:00:00","" "4115788","7.1843","0.0003","7.521","0.0003","14.4763","0.0005","90","","94.401","0.003","90","","779.89","0.05","293","2","293","2","","","","","","","","6","P 1 2/m 1","-P 2y","10","","","","- C20 H28 Cr2 Cu3 N16 O2 -","- C20 H28 Cr2 Cu3 N16 O2 -","- C20 H28 Cr2 Cu3 N16 O2 -","1","0.25","","Hui-Zhong Kou; Song Gao; Jing Zhang; Ge-Hui Wen; Gang Su; R. K. Zheng; X. X. Zhang","Unexpected Assembly of a Unique Cyano-Bridged Three-Dimensional Cu3Cr2 Ferromagnet","Journal of the American Chemical Society","2001","123","","11809","11810","10.1021/ja016656p","","","0.71073","MoKα","","0.0631","0.0465","","","0.1046","0.1133","","","","","","1.06","","","","has coordinates","178928","2020-10-21","18:00:00","" "4115789","9.094","0.005","12.277","0.003","14.541","0.004","77.02","0.02","80.82","0.04","79.86","0.03","1545","1","213","2","213","2","","","","","","","synthesized","5","P -1","-P 1","2","","Poly{tris[tetrakis(μ-trifluoroacetato-κO,κO')dirhodium(II,II)- (μ4-η2(1,2):η2(3,4):η2(7,8):η2(9,10)-chrysene)}","","- C42 H12 F36 O24 Rh6 -","- C42 H12 F36 O24 Rh6 -","- C42 H12 F36 O24 Rh6 -","1","0.5","","F. Albert Cotton; Evgeny V. Dikarev; Marina A. Petrukhina","Using Structures Formed by Dirhodium Tetra(trifluoroacetate) with Polycyclic Aromatic Hydrocarbons to Prospect for Maximum π-Electron Density: Hückel Calculations Get It Right","Journal of the American Chemical Society","2001","123","","11655","11663","10.1021/ja016801z","","","0.71073","MoKα","","0.0945","0.0721","","0.1851","0.1596","","","","1.081","1.082","1.082","","","","","has coordinates,has disorder","178928","2020-10-21","18:00:00","" "4115790","11.287","0.007","17.509","0.004","12.606","0.003","90","","93.64","0.03","90","","2486.2","1.7","213","2","213","2","","","","","","","synthesized","5","P 1 21/n 1","-P 2yn","14","","Catena-poly{[tetrakis(μ-trifluoroacetato-κO,κO') dirhodium(II,II)](μ-η2(1,2):η2(4,5)-acenaphthylene)}","","- C20 H8 F12 O8 Rh2 -","- C20 H8 F12 O8 Rh2 -","- C80 H32 F48 O32 Rh8 -","4","1","","F. Albert Cotton; Evgeny V. Dikarev; Marina A. Petrukhina","Using Structures Formed by Dirhodium Tetra(trifluoroacetate) with Polycyclic Aromatic Hydrocarbons to Prospect for Maximum π-Electron Density: Hückel Calculations Get It Right","Journal of the American Chemical Society","2001","123","","11655","11663","10.1021/ja016801z","","","0.71073","MoKα","","0.0864","0.0671","","0.1937","0.158","","","","1.085","1.05","1.05","","","","","has coordinates,has disorder","178928","2020-10-21","18:00:00","" "4115791","22.562","0.003","8.577","0.001","16.889","0.002","90","","131.34","0.02","90","","2453.8","0.9","213","2","213","2","","","","","","","synthesized","5","C 1 2/c 1","-C 2yc","15","","Catena-poly{[tetrakis(μ-trifluoroacetato-κO,κO') dirhodium(II,II)](μ-η2(4,5):η2(6,7)-acenaphthene)}","","- C20 H10 F12 O8 Rh2 -","- C20 H10 F12 O8 Rh2 -","- C80 H40 F48 O32 Rh8 -","4","0.5","","F. Albert Cotton; Evgeny V. Dikarev; Marina A. Petrukhina","Using Structures Formed by Dirhodium Tetra(trifluoroacetate) with Polycyclic Aromatic Hydrocarbons to Prospect for Maximum π-Electron Density: Hückel Calculations Get It Right","Journal of the American Chemical Society","2001","123","","11655","11663","10.1021/ja016801z","","","0.71073","MoKα","","0.0419","0.0386","","0.0923","0.0893","","","","1.129","1.138","1.138","","","","","has coordinates,has disorder","178928","2020-10-21","18:00:00","" "4115792","8.48","0.002","8.6371","0.0007","10.252","0.001","114.681","0.007","99.736","0.007","98.147","0.007","653.29","0.18","213","2","213","2","","","","","","","synthesized","5","P -1","-P 1","2","","Catena-poly{[tetrakis(μ-trifluoroacetato-κO,kO') dirhodium(II,II)](μ-η2(1,2):η2(5,6)-anthracene)}","","- C22 H10 F12 O8 Rh2 -","- C22 H10 F12 O8 Rh2 -","- C22 H10 F12 O8 Rh2 -","1","0.5","","F. Albert Cotton; Evgeny V. Dikarev; Marina A. Petrukhina","Using Structures Formed by Dirhodium Tetra(trifluoroacetate) with Polycyclic Aromatic Hydrocarbons to Prospect for Maximum π-Electron Density: Hückel Calculations Get It Right","Journal of the American Chemical Society","2001","123","","11655","11663","10.1021/ja016801z","","","0.71073","MoKα","","0.0513","0.0458","","0.1287","0.1253","","","","1.1","1.101","1.101","","","","","has coordinates,has disorder","178928","2020-10-21","18:00:00","" "4115793","8.642","0.001","9.21","0.0007","17.387","0.003","75.608","0.004","85.458","0.008","81.362","0.005","1324","0.3","213","2","213","2","","","","","","","synthesized","5","P -1","-P 1","2","","Catena-poly{[tetrakis(μ-trifluoroacetato-κO,κO') dirhodium(II,II)](μ-η2(3,4):η2(9,10)-phenanthrene)}","","- C22 H10 F12 O8 Rh2 -","- C22 H10 F12 O8 Rh2 -","- C44 H20 F24 O16 Rh4 -","2","1","","F. Albert Cotton; Evgeny V. Dikarev; Marina A. Petrukhina","Using Structures Formed by Dirhodium Tetra(trifluoroacetate) with Polycyclic Aromatic Hydrocarbons to Prospect for Maximum π-Electron Density: Hückel Calculations Get It Right","Journal of the American Chemical Society","2001","123","","11655","11663","10.1021/ja016801z","","","0.71073","MoKα","","0.0547","0.0511","","0.153","0.1455","","","","1.076","1.076","1.076","","","","","has coordinates,has disorder","178928","2020-10-21","18:00:00","" "4115794","9.317","0.002","14.902","0.001","9.507","0.001","90","","91.78","0.01","90","","1319.3","0.3","213","2","213","2","","","","","","","synthesized","5","C 1 2/m 1","-C 2y","12","","Catena-poly{[tetrakis(μ-trifluoroacetato-κO,κO') dirhodium(II,II)](μ-η2(4,5):η2(9,10)-pyrene)}","","- C24 H10 F12 O8 Rh2 -","- C24 H10 F12 O8 Rh2 -","- C48 H20 F24 O16 Rh4 -","2","0.25","","F. Albert Cotton; Evgeny V. Dikarev; Marina A. Petrukhina","Using Structures Formed by Dirhodium Tetra(trifluoroacetate) with Polycyclic Aromatic Hydrocarbons to Prospect for Maximum π-Electron Density: Hückel Calculations Get It Right","Journal of the American Chemical Society","2001","123","","11655","11663","10.1021/ja016801z","","","0.71073","MoKα","","0.0298","0.0284","","0.0737","0.0719","","","","1.161","1.156","1.156","","","","","has coordinates,has disorder","178928","2020-10-21","18:00:00","" "4115795","8.674","0.003","9.464","0.002","12.11","0.003","77.91","0.02","79.65","0.01","87.44","0.02","956.2","0.5","213","2","213","2","","","","","","","synthesized","5","P -1","-P 1","2","","Tetrakis(μ-trifluoroacetato-κO,κO')dirhodium(II,II)- bis(η2(2,3)-fluoranthene)","","- C40 H20 F12 O8 Rh2 -","- C40 H20 F12 O8 Rh2 -","- C40 H20 F12 O8 Rh2 -","1","0.5","","F. Albert Cotton; Evgeny V. Dikarev; Marina A. Petrukhina","Using Structures Formed by Dirhodium Tetra(trifluoroacetate) with Polycyclic Aromatic Hydrocarbons to Prospect for Maximum π-Electron Density: Hückel Calculations Get It Right","Journal of the American Chemical Society","2001","123","","11655","11663","10.1021/ja016801z","","","0.71073","MoKα","","0.0584","0.0548","","0.159","0.1532","","","","1.057","1.055","1.055","","","","","has coordinates,has disorder","178928","2020-10-21","18:00:00","" "4115796","9.2257","0.0002","9.224","0.001","31.827","0.002","90","","93.97","0.05","90","","2701.9","0.4","213","2","213","2","","","","","","","synthesized","5","P 1 21/c 1","-P 2ybc","14","","Catena-poly{[tetrakis(μ-trifluoroacetato-κO,κO') dirhodium(II,II)](μ-η2(2,3):η2(6,12)-fluoranthene)}, low-temperature isomer","","- C24 H10 F12 O8 Rh2 -","- C24 H10 F12 O8 Rh2 -","- C96 H40 F48 O32 Rh8 -","4","1","","F. Albert Cotton; Evgeny V. Dikarev; Marina A. Petrukhina","Using Structures Formed by Dirhodium Tetra(trifluoroacetate) with Polycyclic Aromatic Hydrocarbons to Prospect for Maximum π-Electron Density: Hückel Calculations Get It Right","Journal of the American Chemical Society","2001","123","","11655","11663","10.1021/ja016801z","","","0.71073","MoKα","","0.048","0.044","","0.108","0.1031","","","","1.085","1.088","1.088","","","","","has coordinates,has disorder","178928","2020-10-21","18:00:00","" "4115797","10.1","0.003","17.535","0.003","15.969","0.001","90","","103.45","0.01","90","","2750.6","1","213","2","213","2","","","","","","","synthesized","5","P 1 21/c 1","-P 2ybc","14","","Catena-poly{[tetrakis(μ-trifluoroacetato-κO,κO') dirhodium(II,II)](μ-η2(2,3):η1(7)-fluoranthene)}, high-temperature isomer","","- C24 H10 F12 O8 Rh2 -","- C24 H10 F12 O8 Rh2 -","- C96 H40 F48 O32 Rh8 -","4","1","","F. Albert Cotton; Evgeny V. Dikarev; Marina A. Petrukhina","Using Structures Formed by Dirhodium Tetra(trifluoroacetate) with Polycyclic Aromatic Hydrocarbons to Prospect for Maximum π-Electron Density: Hückel Calculations Get It Right","Journal of the American Chemical Society","2001","123","","11655","11663","10.1021/ja016801z","","","0.71073","MoKα","","0.0748","0.0588","","0.1491","0.1302","","","","1.086","1.08","1.08","","","","","has coordinates,has disorder","178928","2020-10-21","18:00:00","" "4115798","9.224","0.003","10.546","0.003","16.437","0.003","89.78","0.03","74.9","0.02","75.03","0.02","1487.9","0.7","213","2","213","2","","","","","","","synthesized","5","P -1","-P 1","2","","Catena-poly{[tetrakis(μ-trifluoroacetato-κO,κO') dirhodium(II,II)](μ-η2(5,6):η2(10,11)-1,2-benzanthracene)}","","- C26 H12 F12 O8 Rh2 -","- C26 H12 F12 O8 Rh2 -","- C52 H24 F24 O16 Rh4 -","2","1","","F. Albert Cotton; Evgeny V. Dikarev; Marina A. Petrukhina","Using Structures Formed by Dirhodium Tetra(trifluoroacetate) with Polycyclic Aromatic Hydrocarbons to Prospect for Maximum π-Electron Density: Hückel Calculations Get It Right","Journal of the American Chemical Society","2001","123","","11655","11663","10.1021/ja016801z","","","0.71073","MoKα","","0.0809","0.0634","","0.1654","0.1455","","","","1.09","1.087","1.087","","","","","has coordinates,has disorder","178928","2020-10-21","18:00:00","" "4115799","8.653","0.001","9.2512","0.0008","12.88","0.002","80.292","0.005","74.776","0.006","88.113","0.006","980.6","0.2","213","2","213","2","","","","","","","synthesized","5","P -1","-P 1","2","","Tetrakis(μ-trifluoroacetato-κO,κO')dirhodium(II,II)- bis(η2(1,2)-triphenylene)","","- C44 H24 F12 O8 Rh2 -","- C44 H24 F12 O8 Rh2 -","- C44 H24 F12 O8 Rh2 -","1","0.5","","F. Albert Cotton; Evgeny V. Dikarev; Marina A. Petrukhina","Using Structures Formed by Dirhodium Tetra(trifluoroacetate) with Polycyclic Aromatic Hydrocarbons to Prospect for Maximum π-Electron Density: Hückel Calculations Get It Right","Journal of the American Chemical Society","2001","123","","11655","11663","10.1021/ja016801z","","","0.71073","MoKα","","0.05","0.0434","","0.1055","0.0984","","","","1.093","1.076","1.076","","","","","has coordinates,has disorder","178928","2020-10-21","18:00:00","" "4115800","9.42","0.001","10.215","0.001","19.648","0.005","94.99","0.02","95.29","0.01","95.05","0.01","1866.6","0.6","213","2","213","2","","","","","","","synthesized","5","P -1","-P 1","2","","Catena-poly{tris[tetrakis(μ-trifluoroacetato-κO,κO') dirhodium(II,II)]-bis(μ3-η2(1,2):η2(7,8):η2(9,10)- triphenylene)}","","- C60 H24 F36 O24 Rh6 -","- C60 H24 F36 O24 Rh6 -","- C60 H24 F36 O24 Rh6 -","1","0.5","","F. Albert Cotton; Evgeny V. Dikarev; Marina A. Petrukhina","Using Structures Formed by Dirhodium Tetra(trifluoroacetate) with Polycyclic Aromatic Hydrocarbons to Prospect for Maximum π-Electron Density: Hückel Calculations Get It Right","Journal of the American Chemical Society","2001","123","","11655","11663","10.1021/ja016801z","","","0.71073","MoKα","","0.1253","0.0866","","0.1965","0.1666","","","","1.112","1.131","1.131","","","","","has coordinates,has disorder","178929","2020-10-21","18:00:00","" "4115801","8.578","0.002","9.2958","0.0007","9.404","0.002","98.62","0.04","106.128","0.008","97.91","0.02","699.4","0.3","213","2","213","2","","","","","","","synthesized","5","P -1","-P 1","2","","Catena-poly{[tetrakis(μ-trifluoroacetato-κO,κO') dirhodium(II,II)](μ-η2(5,6):η2(11,12)-chrysene)}","","- C26 H12 F12 O8 Rh2 -","- C26 H12 F11.952 O8 Rh2 -","- C26 H12 F11.952 O8 Rh2 -","1","0.5","","F. Albert Cotton; Evgeny V. Dikarev; Marina A. Petrukhina","Using Structures Formed by Dirhodium Tetra(trifluoroacetate) with Polycyclic Aromatic Hydrocarbons to Prospect for Maximum π-Electron Density: Hückel Calculations Get It Right","Journal of the American Chemical Society","2001","123","","11655","11663","10.1021/ja016801z","","","0.71073","MoKα","","0.0527","0.047","","0.1306","0.1235","","","","1.063","1.07","1.07","","","","","has coordinates,has disorder","178929","2020-10-21","18:00:00","" "4115802","34.16","0.02","12.551","0.009","17.77","0.03","90","","100.68","0.08","90","","7487","15","293","","","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","4-(1-oxyl-3-oxido-4,4,5,5-tetramethyl-2-imidazolin-2-yl)-benzoic acid 2,4-bis(1-oxyl-3-oxido-4,4,5,5-tetramethyl-2-imidazolin-2-yl)-phenyl ester","","- C40 H57 N6 O8 -","- C40 H43 N6 O8 -","- C320 H344 N48 O64 -","8","1","","Daisuke Shiomi; Takayasu Kanaya; Kazunobu Sato; Masaki Mito; Kazuyoshi Takeda; Takeji Takui","Single-Component Molecule-Based Ferrimagnetics","Journal of the American Chemical Society","2001","123","","11823","11824","10.1021/ja016827q","","","0.7107","MoKα","","","0.0675","","","","0.1763","","","","","","1.771","","","","has coordinates","176467","2020-10-21","18:00:00","" "4115803","13.38","0.0004","32.335","0.001","14.2883","0.0003","90","","106.74","0.002","90","","5919.8","0.3","173","","173","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","bow-tie hexaoxo-octapyrocatecholato-decatitanium","bis((μ4-oxo)-(μ3-(O,O,O',O')-pyrocatecholato)-(1-butanol)- bis(μ2-oxo)-bis(μ-1-butoxo)-tris(μ2-(O,O,O')-pyrocatecholato)- tetrakis(1-butoxy)-pentatitanium)","","- C52 H79 O18 Ti5 -","- C52 H52 O18 Ti5 -","- C208 H208 O72 Ti20 -","4","1","","Karine Gigant; Adel Rammal; Marc Henry","Synthesis and Molecular Structures of Some New Titanium(IV) Aryloxides","Journal of the American Chemical Society","2001","123","","11632","11637","10.1021/ja016930f","","","0.71073","Mo-Kα","","0.137","0.059","","0.45","","0.086","","","7.449","","","1.388","","","","has coordinates","178929","2020-10-21","18:00:00","" "4115804","14.266","0.0004","13.224","0.0007","15.847","0.0007","90","","100.699","0.003","90","","2937.6","0.2","173","","173","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","tris(salicylato)titanium(IV)","(salicylato-O,O')-bis((2-carboxylato)-phenolato)-titanium(IV)1-butanol solvate","","- C29 H34 O11 Ti -","- C29 H21 O11 Ti -","- C116 H84 O44 Ti4 -","4","1","","Karine Gigant; Adel Rammal; Marc Henry","Synthesis and Molecular Structures of Some New Titanium(IV) Aryloxides","Journal of the American Chemical Society","2001","123","","11632","11637","10.1021/ja016930f","","","0.71073","Mo-Kα","","0.111","0.062","","0.091","","0.081","","","1.688","","","1.548","","","","has coordinates","178929","2020-10-21","18:00:00","" "4115805","13.956","0.0004","20.738","0.0007","16.133","0.0005","90","","97.639","0.003","90","","4627.8","0.3","173","","173","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","Hexabiphenol-tetraoxo-hexatitanium ladder","bis((μ2-2,2'-biphenolato(O,O'))-(μ2-isopropoxy)-isopropoxy-isopropanol- bis(μ3-oxo)-bis(μ2-2,2'-biphenolato(O,O,O'))-trititanium) chloroform solvate","","- C92 H92 Cl6 O22 Ti6 -","- C92 H90 Cl6 O22 Ti6 -","- C184 H180 Cl12 O44 Ti12 -","2","0.5","","Karine Gigant; Adel Rammal; Marc Henry","Synthesis and Molecular Structures of Some New Titanium(IV) Aryloxides","Journal of the American Chemical Society","2001","123","","11632","11637","10.1021/ja016930f","","","0.71073","Mo-Kα","","0.108","0.064","","0.111","","0.078","","","1.89","","","1.323","","","","has coordinates","178929","2020-10-21","18:00:00","" "4115806","35.256","0.011","8.899","0.003","23.52","0.006","90","","112.33","0.02","90","","6826","4","293","2","293","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C18 H26 O4 -","- C18 H26 O4 -","- C288 H416 O64 -","16","2","","Héctor Carrasco; Concepción Foces-Foces; Cirilo Pérez; Matías L. Rodríguez; Julio D. Martín","Tubular Hydrogen-Bonded Networks Sustained by Water Molecules","Journal of the American Chemical Society","2001","123","","11970","11981","10.1021/ja011028t","","","0.71069","MoKα","","0.2633","0.1561","","","0.4266","0.4611","","","","","","1.212","","","","has coordinates","178929","2020-10-21","18:00:00","" "4115807","10.8944","0.0003","6.9835","0.0002","40.0783","0.001","90","","94.901","0.001","90","","3038.05","0.14","298","2","298","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C17 H27 O4.5 -","- C17 H27 O4.5 -","- C136 H216 O36 -","8","2","","Héctor Carrasco; Concepción Foces-Foces; Cirilo Pérez; Matías L. Rodríguez; Julio D. Martín","Tubular Hydrogen-Bonded Networks Sustained by Water Molecules","Journal of the American Chemical Society","2001","123","","11970","11981","10.1021/ja011028t","","","0.71073","MoKα","","0.1536","0.0705","","","0.1316","0.1701","","","","","","1.047","","","","has coordinates","176467","2020-10-21","18:00:00","" "4115808","8.25","0.002","13.151","0.004","14.797","0.004","69.69","0.02","73.85","0.02","71.71","0.02","1403.5","0.7","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C15 H24 O4 -","- C15 H21.5 O4 -","- C60 H86 O16 -","4","2","","Héctor Carrasco; Concepción Foces-Foces; Cirilo Pérez; Matías L. Rodríguez; Julio D. Martín","Tubular Hydrogen-Bonded Networks Sustained by Water Molecules","Journal of the American Chemical Society","2001","123","","11970","11981","10.1021/ja011028t","","","0.71069","MoKα","","0.3328","0.0869","","","0.1624","0.2427","","","","","","0.937","","","","has coordinates","178929","2020-10-21","18:00:00","" "4115809","7.142","0.001","10.685","0.001","17.143","0.001","90","","93.65","0.01","90","","1305.6","0.2","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C15 H20 O4 -","- C15 H20 O4 -","- C60 H80 O16 -","4","1","","Héctor Carrasco; Concepción Foces-Foces; Cirilo Pérez; Matías L. Rodríguez; Julio D. Martín","Tubular Hydrogen-Bonded Networks Sustained by Water Molecules","Journal of the American Chemical Society","2001","123","","11970","11981","10.1021/ja011028t","","","0.71069","MoKα","","0.1644","0.0497","","","0.1033","0.1324","","","","","","0.952","","","","has coordinates","178929","2020-10-21","18:00:00","" "4115810","7.076","0.003","12.211","0.004","16.676","0.006","90","","90","","90","","1440.9","0.9","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C15 H22 O5 -","- C15 H22 O5 -","- C60 H88 O20 -","4","1","","Héctor Carrasco; Concepción Foces-Foces; Cirilo Pérez; Matías L. Rodríguez; Julio D. Martín","Tubular Hydrogen-Bonded Networks Sustained by Water Molecules","Journal of the American Chemical Society","2001","123","","11970","11981","10.1021/ja011028t","","","0.71069","MoKα","","0.1721","0.0553","","","0.1226","0.1579","","","","","","0.988","","","","has coordinates","178929","2020-10-21","18:00:00","" "4115811","7.7631","0.0002","8.2042","0.0002","11.842","0.0003","79.743","0.001","88.046","0.001","69.419","0.001","694.46","0.03","298","2","298","2","","","","","","","","3","P -1","-P 1","2","","","","- C15 H22 O4 -","- C15 H22 O4 -","- C30 H44 O8 -","2","1","","Héctor Carrasco; Concepción Foces-Foces; Cirilo Pérez; Matías L. Rodríguez; Julio D. Martín","Tubular Hydrogen-Bonded Networks Sustained by Water Molecules","Journal of the American Chemical Society","2001","123","","11970","11981","10.1021/ja011028t","","","0.71073","MoKα","","0.0874","0.063","","","0.1402","0.156","","","","","","1.08","","","","has coordinates","209481","2020-10-21","18:00:00","" "4115812","14.175","0.003","14.183","0.003","14.574","0.004","90","","90","","90","","2930","1.2","293","2","293","2","","","","","","","","3","P c a 21","P 2c -2ac","29","","","","- C30 H52 O8 -","- C30 H52 O8 -","- C120 H208 O32 -","4","1","","Héctor Carrasco; Concepción Foces-Foces; Cirilo Pérez; Matías L. Rodríguez; Julio D. Martín","Tubular Hydrogen-Bonded Networks Sustained by Water Molecules","Journal of the American Chemical Society","2001","123","","11970","11981","10.1021/ja011028t","","","0.71069","MoKα","","0.0685","0.0481","","","0.1095","0.1211","","","","","","1.067","","","","has coordinates","178929","2020-10-21","18:00:00","" "4115813","7.678","0.002","7.864","0.002","11.841","0.006","100.27","0.03","92.28","0.03","109.95","0.02","657.4","0.4","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C13 H20 O4 -","- C13 H22 O4 -","- C26 H44 O8 -","2","1","","Héctor Carrasco; Concepción Foces-Foces; Cirilo Pérez; Matías L. Rodríguez; Julio D. Martín","Tubular Hydrogen-Bonded Networks Sustained by Water Molecules","Journal of the American Chemical Society","2001","123","","11970","11981","10.1021/ja011028t","","","0.71069","MoKα","","0.2365","0.0623","","","0.1138","0.1627","","","","","","0.915","","","","has coordinates","178929","2020-10-21","18:00:00","" "4115814","14.0518","0.0003","14.1426","0.0002","14.9534","0.0002","90","","90","","90","","2971.67","0.09","298","2","298","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C16 H26 O4 -","- C16 H26 O4 -","- C128 H208 O32 -","8","1","","Héctor Carrasco; Concepción Foces-Foces; Cirilo Pérez; Matías L. Rodríguez; Julio D. Martín","Tubular Hydrogen-Bonded Networks Sustained by Water Molecules","Journal of the American Chemical Society","2001","123","","11970","11981","10.1021/ja011028t","","","0.71073","MoKα","","0.0945","0.0577","","","0.112","0.1278","","","","","","1.094","","","","has coordinates","178929","2020-10-21","18:00:00","" "4115815","7.812","0.001","8.015","0.001","11.023","0.001","73.79","0.007","79.72","0.007","68.35","0.007","613.79","0.13","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C13 H20 O5 -","- C13 H20 O5 -","- C26 H40 O10 -","2","1","","Héctor Carrasco; Concepción Foces-Foces; Cirilo Pérez; Matías L. Rodríguez; Julio D. Martín","Tubular Hydrogen-Bonded Networks Sustained by Water Molecules","Journal of the American Chemical Society","2001","123","","11970","11981","10.1021/ja011028t","","","0.71069","MoKα","","0.0521","0.0381","","","0.098","0.1051","","","","","","1.051","","","","has coordinates,has disorder","178929","2020-10-21","18:00:00","" "4115816","13.3863","0.0002","11.4029","0.0003","8.9169","0.0003","90","","91.755","0.001","90","","1360.46","0.06","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C13 H20 O4 S -","- C13 H20 O4 S -","- C52 H80 O16 S4 -","4","1","","Héctor Carrasco; Concepción Foces-Foces; Cirilo Pérez; Matías L. Rodríguez; Julio D. Martín","Tubular Hydrogen-Bonded Networks Sustained by Water Molecules","Journal of the American Chemical Society","2001","123","","11970","11981","10.1021/ja011028t","","","0.71073","MoKα","","0.1296","0.0922","","","0.2524","0.2685","","","","","","1.095","","","","has coordinates","178929","2020-10-21","18:00:00","" "4115817","7.4739","0.0001","9.1783","0.0001","9.9889","0.0001","97.006","0.001","96.613","0.001","94.8825","0.002","672.149","0.014","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","","","- C13 H20 O6 S -","- C13 H20 O6 S -","- C26 H40 O12 S2 -","2","1","","Héctor Carrasco; Concepción Foces-Foces; Cirilo Pérez; Matías L. Rodríguez; Julio D. Martín","Tubular Hydrogen-Bonded Networks Sustained by Water Molecules","Journal of the American Chemical Society","2001","123","","11970","11981","10.1021/ja011028t","","","0.71073","MoKα","","0.0501","0.0383","","","0.0938","0.1005","","","","","","1.035","","","","has coordinates","178929","2020-10-21","18:00:00","" "4115818","7.173","0.003","7.998","0.002","10.514","0.002","82.88","0.02","88.25","0.02","83.06","0.03","594.1","0.3","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C12 H20 O4 -","- C13 H20 O3 -","- C26 H40 O6 -","2","1","","Héctor Carrasco; Concepción Foces-Foces; Cirilo Pérez; Matías L. Rodríguez; Julio D. Martín","Tubular Hydrogen-Bonded Networks Sustained by Water Molecules","Journal of the American Chemical Society","2001","123","","11970","11981","10.1021/ja011028t","","","0.71069","MoKα","","0.131","0.0823","","","0.2275","0.2618","","","","","","1.049","","","","has coordinates","178929","2020-10-21","18:00:00","" "4115819","7.962","0.002","19.376","0.006","8.053","0.004","90","","110.69","0.03","90","","1162.2","0.8","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C12 H20 O4 -","- C12 H20 O4 -","- C48 H80 O16 -","4","1","","Héctor Carrasco; Concepción Foces-Foces; Cirilo Pérez; Matías L. Rodríguez; Julio D. Martín","Tubular Hydrogen-Bonded Networks Sustained by Water Molecules","Journal of the American Chemical Society","2001","123","","11970","11981","10.1021/ja011028t","","","0.71069","MoKα","","0.0824","0.0423","","","0.1","0.1137","","","","","","1.015","","","","has coordinates","178929","2020-10-21","18:00:00","" "4115820","10.1402","0.0002","13.0837","0.0003","13.3685","0.0003","60.7325","0.0015","86.7121","0.0013","80.4379","0.0013","1525.13","0.06","200","1","200","1","","","","","","","","6","P -1","-P 1","2","","","","- C53 H40 F24 Mn2 N4 O8 -","- C53 H40 F24 Mn2 N4 O8 -","- C53 H40 F24 Mn2 N4 O8 -","1","0.5","","Frank M. Tabellion; S. Russell Seidel; Atta M. Arif; Peter J. Stang","A Novel, Tunable Manganese Coordination System Based on a Flexible ""Spacer"" Unit: Noncovalent Templation Effects","Journal of the American Chemical Society","2001","123","","11982","11990","10.1021/ja0114310","","","0.71073","MoKα","","0.0889","0.0528","","","0.1118","0.129","","","","","","1.012","","","","has coordinates,has disorder","178929","2020-10-21","18:00:00","" "4115821","13.3971","0.0018","23.866","0.004","10.1985","0.0016","90","","95.702","0.011","90","","3244.7","0.9","200","1","200","1","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- C59 H44 F24 Mn2 N4 O8 -","- C59 H32 F24 Mn2 N4 O8 -","- C118 H64 F48 Mn4 N8 O16 -","2","0.25","","Frank M. Tabellion; S. Russell Seidel; Atta M. Arif; Peter J. Stang","A Novel, Tunable Manganese Coordination System Based on a Flexible ""Spacer"" Unit: Noncovalent Templation Effects","Journal of the American Chemical Society","2001","123","","11982","11990","10.1021/ja0114310","","","0.71073","MoKα","","0.1274","0.08","","","0.1953","0.224","","","","","","1.046","","","","has coordinates","178929","2020-10-21","18:00:00","" "4115822","13.6022","0.0006","15.4929","0.0006","17.3102","0.0005","69.198","0.002","72.195","0.002","73.27","0.002","3180.2","0.2","200","1","200","1","","","","","","","","6","P -1","-P 1","2","","","","- C60 H44 F24 Mn2 N4 O8 -","- C60 H44 F24 Mn2 N4 O8 -","- C120 H88 F48 Mn4 N8 O16 -","2","1","","Frank M. Tabellion; S. Russell Seidel; Atta M. Arif; Peter J. Stang","A Novel, Tunable Manganese Coordination System Based on a Flexible ""Spacer"" Unit: Noncovalent Templation Effects","Journal of the American Chemical Society","2001","123","","11982","11990","10.1021/ja0114310","","","0.71073","MoKα","","0.1273","0.0547","","","0.1034","0.1288","","","","","","1.009","","","","has coordinates,has disorder","178929","2020-10-21","18:00:00","" "4115823","14.2058","0.0003","9.992","0.0003","14.4406","0.0003","90","","102.674","0.001","90","","1999.82","0.08","200","1","200","1","","","","","","","","6","P 1 n 1","P -2yac","7","","","","- C38 H32 F12 Mn N2 O4 -","- C38 H32 F12 Mn N2 O4 -","- C76 H64 F24 Mn2 N4 O8 -","2","1","","Frank M. Tabellion; S. Russell Seidel; Atta M. Arif; Peter J. Stang","A Novel, Tunable Manganese Coordination System Based on a Flexible ""Spacer"" Unit: Noncovalent Templation Effects","Journal of the American Chemical Society","2001","123","","11982","11990","10.1021/ja0114310","","","0.71073","MoKα","","0.0763","0.0497","","","0.1078","0.1208","","","","","","1.055","","","","has coordinates,has disorder","178929","2020-10-21","18:00:00","" "4115824","10.0966","0.0004","13.1001","0.0004","13.3725","0.0004","61.1082","0.0018","86.596","0.002","80.188","0.002","1525.39","0.09","200","1","200","1","","","","","","","","6","P -1","-P 1","2","","","","- C53 H40 F24 Mn2 N4 O9 -","- C53 H40 F24 Mn2 N4 O9 -","- C53 H40 F24 Mn2 N4 O9 -","1","0.5","","Frank M. Tabellion; S. Russell Seidel; Atta M. Arif; Peter J. Stang","A Novel, Tunable Manganese Coordination System Based on a Flexible ""Spacer"" Unit: Noncovalent Templation Effects","Journal of the American Chemical Society","2001","123","","11982","11990","10.1021/ja0114310","","","0.71073","MoKα","","0.0917","0.0743","","","0.1991","0.211","","","","","","1.095","","","","has coordinates,has disorder","178929","2020-10-21","18:00:00","" "4115825","14.0984","0.0003","14.6254","0.0004","16.4762","0.0003","80.7262","0.0013","78.7341","0.0013","89.5633","0.0013","3287.3","0.13","200","1","200","1","","","","","","","","6","P -1","-P 1","2","","","","- C58 H42 F24 Mn2 N6 O12 -","- C58 H42 F24 Mn2 N6 O12 -","- C116 H84 F48 Mn4 N12 O24 -","2","1","","Frank M. Tabellion; S. Russell Seidel; Atta M. Arif; Peter J. Stang","A Novel, Tunable Manganese Coordination System Based on a Flexible ""Spacer"" Unit: Noncovalent Templation Effects","Journal of the American Chemical Society","2001","123","","11982","11990","10.1021/ja0114310","","","0.71073","MoKα","","0.1003","0.0612","","","0.1493","0.1726","","","","","","1.029","","","","has coordinates,has disorder","178929","2020-10-21","18:00:00","" "4115826","14.0007","0.0005","14.7834","0.0005","16.4656","0.0004","80.8755","0.0018","78.1471","0.0016","89.4096","0.0015","3292.27","0.18","200","1","200","1","","","","","","","","6","P -1","-P 1","2","","","","- C60 H42 F24 Mn2 N6 O8 -","- C60 H42 F24 Mn2 N6 O8 -","- C120 H84 F48 Mn4 N12 O16 -","2","1","","Frank M. Tabellion; S. Russell Seidel; Atta M. Arif; Peter J. Stang","A Novel, Tunable Manganese Coordination System Based on a Flexible ""Spacer"" Unit: Noncovalent Templation Effects","Journal of the American Chemical Society","2001","123","","11982","11990","10.1021/ja0114310","","","0.71073","MoKα","","0.1003","0.0532","","","0.111","0.1312","","","","","","1.012","","","","has coordinates,has disorder","178929","2020-10-21","18:00:00","" "4115827","12.305","0.006","31.22","0.019","19.105","0.009","90","0.07","91.25","0.04","90","0.04","7338","7","153","5","153","5","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C62 H60 N10 Se10 Te2 Yb4 -","- C62 H60 N10 Se10 Te2 Yb4 -","- C248 H240 N40 Se40 Te8 Yb16 -","4","1","","Anna Y. Kornienko; Thomas J. Emge; John G. Brennan","Chalcogen-Rich Lanthanide Clusters: Cluster Reactivity and the Influence of Ancillary Ligands on Structure","Journal of the American Chemical Society","2001","123","","11933","11939","10.1021/ja011487u","","","0.7107","MoKα","","0.169","0.068","","","0.1614","0.1838","","","","","","1","","","","has coordinates","178929","2020-10-21","18:00:00","" "4115828","10.928","0.009","12.96","0.009","14.658","0.003","91.27","0.05","89.89","0.05","110.14","0.06","1949","2","153","5","153","5","","","","","","","","6","P -1","-P 1","2","","","","- C37 H35 N5 S2 Se3 Yb2 -","- C37 H35 N5 S2 Se3 Yb2 -","- C74 H70 N10 S4 Se6 Yb4 -","2","1","","Anna Y. Kornienko; Thomas J. Emge; John G. Brennan","Chalcogen-Rich Lanthanide Clusters: Cluster Reactivity and the Influence of Ancillary Ligands on Structure","Journal of the American Chemical Society","2001","123","","11933","11939","10.1021/ja011487u","","","0.71073","MoKα","","0.058","0.0335","","","0.0796","0.0849","","","","","","1.004","","","","has coordinates","178929","2020-10-21","18:00:00","" "4115829","12.405","0.006","30.97","0.02","18.881","0.01","90","0.06","92.25","0.04","90","0.05","7248","7","153","5","153","5","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C62 H60 N10 Se11.38 Yb4 -","- C62 H60 N10 Se11.396 Yb4 -","- C248 H240 N40 Se45.584 Yb16 -","4","1","","Anna Y. Kornienko; Thomas J. Emge; John G. Brennan","Chalcogen-Rich Lanthanide Clusters: Cluster Reactivity and the Influence of Ancillary Ligands on Structure","Journal of the American Chemical Society","2001","123","","11933","11939","10.1021/ja011487u","","","0.71073","MoKα","","0.1","0.0558","","","0.1409","0.1536","","","","","","1.003","","","","has coordinates,has disorder","178929","2020-10-21","18:00:00","" "4115830","10.693","0.002","12.514","0.003","14.836","0.003","74.3","0.03","75.73","0.03","69.95","0.03","1769.2","0.8","123","1","123","1","","","","","","","","5","P -1","-P 1","2","","","","- C27 H56 Ir2 N6 P2 -","- C27 H56 Ir2 N6 P2 -","- C54 H112 Ir4 N12 P4 -","2","1","","Eduardo Sola; Francisco Torres; M. Victoria Jiménez; Jose A. López; Silvia E. Ruiz; Fernando J. Lahoz; Anabel Elduque; Luis A. Oro","Transmission of Trans Effects in Dinuclear Complexes","Journal of the American Chemical Society","2001","123","","11925","11932","10.1021/ja016213l","","","0.71073","MoKα","","0.046","0.0311","","","0.0637","0.0714","","","","","","1.064","","","","has coordinates","178929","2020-10-21","18:00:00","" "4115831","12.187","0.003","16.457","0.003","22.246","0.005","88.294","0.004","83.524","0.004","82.862","0.003","4398.3","1.7","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C28.5 H56.5 Cl5.5 Ir2 N6 P2 -","- C28.5 H13 Cl5.5 Ir2 N6 P2 -","- C114 H52 Cl22 Ir8 N24 P8 -","4","2","","Eduardo Sola; Francisco Torres; M. Victoria Jiménez; Jose A. López; Silvia E. Ruiz; Fernando J. Lahoz; Anabel Elduque; Luis A. Oro","Transmission of Trans Effects in Dinuclear Complexes","Journal of the American Chemical Society","2001","123","","11925","11932","10.1021/ja016213l","","","0.71073","MoKα","","0.1097","0.0628","","","0.1578","0.1739","","","","","","0.94","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00","" "4115832","20.598","0.004","12.756","0.003","16.001","0.003","90","","110.03","0.02","90","","3949.9","1.5","100","1","100","1","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C34 H59 Cl Ir2 N2 O7 P2 -","- C34 H53 Cl Ir2 N2 O7 P2 -","- C136 H212 Cl4 Ir8 N8 O28 P8 -","4","1","","Eduardo Sola; Francisco Torres; M. Victoria Jiménez; Jose A. López; Silvia E. Ruiz; Fernando J. Lahoz; Anabel Elduque; Luis A. Oro","Transmission of Trans Effects in Dinuclear Complexes","Journal of the American Chemical Society","2001","123","","11925","11932","10.1021/ja016213l","","","0.71073","MoKα","","0.0746","0.0459","","","0.102","0.1144","","","","","","0.996","","","","has coordinates,has disorder","178929","2020-10-21","18:00:00","" "4115833","11.7846","0.0011","18.3407","0.0018","20.285","0.002","100.799","0.002","102.636","0.002","102.471","0.002","4048.6","0.7","173","2","173","2","","","","","","","","8","P -1","-P 1","2","","","","- C34 H58 F3 Ir2 N2 O5.5 P2 S -","- C34 H53 F3 Ir2 N2 O5.5 P2 S -","- C136 H212 F12 Ir8 N8 O22 P8 S4 -","4","2","","Eduardo Sola; Francisco Torres; M. Victoria Jiménez; Jose A. López; Silvia E. Ruiz; Fernando J. Lahoz; Anabel Elduque; Luis A. Oro","Transmission of Trans Effects in Dinuclear Complexes","Journal of the American Chemical Society","2001","123","","11925","11932","10.1021/ja016213l","","","0.71073","MoKα","","0.1385","0.0568","","","0.0777","0.0923","","","","","","0.746","","","","has coordinates","176467","2020-10-21","18:00:00","" "4115834","11.8839","0.0008","19.9638","0.0013","20.7764","0.0013","90","","91.4","0.001","90","","4927.7","0.6","173","2","173","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C40 H69.5 F3 Ir2 N4 O6.25 P2 S -","- C40 H57 F3 Ir2 N4 O6.25 P2 S -","- C160 H228 F12 Ir8 N16 O25 P8 S4 -","4","1","","Eduardo Sola; Francisco Torres; M. Victoria Jiménez; Jose A. López; Silvia E. Ruiz; Fernando J. Lahoz; Anabel Elduque; Luis A. Oro","Transmission of Trans Effects in Dinuclear Complexes","Journal of the American Chemical Society","2001","123","","11925","11932","10.1021/ja016213l","","","0.71073","MoKα","","0.0848","0.0462","","","0.0874","0.0926","","","","","","0.992","","","","has coordinates","176467","2020-10-21","18:00:00","" "4115835","11.65","0.003","10.091","0.002","15.094","0.003","90","","104.271","0.005","90","","1719.7","0.7","293","2","293","2","","","","","","","","6","C 1 2 1","C 2y","5","","Cobalt(III)hexaammineironpentacyanidecarbonyl","","- C6 H24 Co Fe N11 O4 -","- C6 H18 Co Fe N11 O4 -","- C24 H72 Co4 Fe4 N44 O16 -","4","1","","Jianfeng Jiang; Andrew Acunzo; Stephen A. Koch","Chemistry of [FeII(CN)5(CO)]3- New Observations for a 19th Century Compound","Journal of the American Chemical Society","2001","123","","12109","12110","10.1021/ja016434r","","","0.71073","MoKα","","0.1404","0.058","","","0.1231","0.1493","","","","","","0.795","","","","has coordinates","178929","2020-10-21","18:00:00","" "4115836","5.6799","0.0005","16.997","0.002","4.9876","0.0005","90.03","0.002","96.11","0.003","93.385","0.003","477.93","0.09","296.1","","","","","","","","","","","4","P -1","-P 1","2","","","","- C20 H28 N2 O4 -","- C20 H28 N2 O4 -","- C20 H28 N2 O4 -","1","0.5","","Nagahama, Sadamu; Matsumoto, Akikazu","Synchronized Propagation Mechanism for Crystalline-State Polymerization of p-Xylylenediammonium Disorbate","Journal of the American Chemical Society","2001","123","49","12176","12181","10.1021/ja011575e","","","0.7107","MoKα","","","0.062","","","","0.104","","","","","","1.732","","","","has coordinates","210876","2020-10-21","18:00:00","" "4115837","12.7","0.003","13.608","0.002","18.681","0.002","90","","103.61","0.01","90","","3137.8","0.9","296.2","","296.2","","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C28 H27 Cl F6 N4 O2 P2 Ru -","- C27 H27 Cl F6 N4 O3 P2 Ru -","- C108 H108 Cl4 F24 N16 O12 P8 Ru4 -","4","1","","Dusan Hesek; Guy A. Hembury; Michael G. B. Drew; Victor V. Borovkov; Yoshihisa Inoue","Photochromic Atropisomer Generation and Conformation Determination in a Ruthenium Bis(bipyridine) Phosphonite γ-Cyclodextrin System","Journal of the American Chemical Society","2001","123","","12232","12237","10.1021/ja0116167","","","0.71073","MoKα","","0.1259","0.0456","","","0.1202","0.1495","","","","","","0.975","","","","has coordinates","176467","2020-10-21","18:00:00","" "4115838","9.774","0.001","9.774","0.001","4.197","0.001","90","","90","","90","","400.94","0.11","293","2","293","2","","","","","","","","4","P 4","P 4","75","nickel bismuth iodide","nickel bismuth sulphoiodide","","- Bi8 I Ni8 S -","- Bi8 I Ni8 S -","- Bi8 I Ni8 S -","1","0.25","","Alexey I. Baranov; Lars A. Kloo; Andrei V. Olenev; Boris A. Popovkin; Anatolii I. Romanenko; Andrei V. Shevelkov","Unique Metallic Wires in a Novel Quasi-1D Compound. Synthesis, Crystal and Electronic Structure, and Properties of Ni8Bi8SI","Journal of the American Chemical Society","2001","123","","12375","12379","10.1021/ja0167001","","","0.71073","MoKα","","0.1097","0.0671","","","0.1594","0.178","","","","","","1.018","","","","has coordinates","176467","2020-10-21","18:00:00","" "4115839","9.345","0.003","10.092","0.002","12.695","0.002","88.11","0.02","69.93","0.02","83.13","0.03","1116.4","0.5","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C23 H31 O4 P -","- C23 H31 O4 P -","- C46 H62 O8 P2 -","2","1","","K. C. Kumara Swamy; Sudha Kumaraswamy; Praveen Kommana","Very Strong C-H...O, N-H...O, and O-H...O Hydrogen Bonds Involving a Cyclic Phosphate","Journal of the American Chemical Society","2001","123","","12642","12649","10.1021/ja010713x","","","0.71073","MoKα","","0.0556","0.0403","","","0.1054","0.1192","","","","","","1.015","","","","has coordinates","201982","2020-10-21","18:00:00","" "4115840","15.271","0.003","9.39","0.002","17.055","0.003","90","","112.8","0.02","90","","2254.5","0.8","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C23 H31 O4 P -","- C23 H31 O4 P -","- C92 H124 O16 P4 -","4","1","","K. C. Kumara Swamy; Sudha Kumaraswamy; Praveen Kommana","Very Strong C-H...O, N-H...O, and O-H...O Hydrogen Bonds Involving a Cyclic Phosphate","Journal of the American Chemical Society","2001","123","","12642","12649","10.1021/ja010713x","","","0.71073","MoKα","","0.1399","0.0571","","","0.1104","0.1543","","","","","","1.018","","","","has coordinates","201982","2020-10-21","18:00:00","" "4115841","9.617","0.002","22.944","0.002","23.369","0.004","90","","99.24","0.02","90","","5089.5","1.5","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C50 H74 O10 P2 -","- C50 H74 O10 P2 -","- C200 H296 O40 P8 -","4","1","","K. C. Kumara Swamy; Sudha Kumaraswamy; Praveen Kommana","Very Strong C-H...O, N-H...O, and O-H...O Hydrogen Bonds Involving a Cyclic Phosphate","Journal of the American Chemical Society","2001","123","","12642","12649","10.1021/ja010713x","","","0.71073","MoKα","","0.0925","0.0506","","","0.124","0.1518","","","","","","1.034","","","","has coordinates","178929","2020-10-21","18:00:00","" "4115842","8.601","0.003","12.744","0.002","13.149","0.002","107.95","0.02","107.2","0.02","103.49","0.03","1223.5","0.6","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C24 H35 O5 P -","- C24 H35 O5 P -","- C48 H70 O10 P2 -","2","1","","K. C. Kumara Swamy; Sudha Kumaraswamy; Praveen Kommana","Very Strong C-H...O, N-H...O, and O-H...O Hydrogen Bonds Involving a Cyclic Phosphate","Journal of the American Chemical Society","2001","123","","12642","12649","10.1021/ja010713x","","","0.71073","MoKα","","0.0633","0.042","","","0.114","0.1338","","","","","","1.094","","","","has coordinates","178929","2020-10-21","18:00:00","" "4115843","13.323","0.003","9.806","0.002","21.147","0.003","90","","92.19","0.02","90","","2760.7","0.9","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C27 H39 N2 O5 P -","- C27 H39 N2 O5 P -","- C108 H156 N8 O20 P4 -","4","1","","K. C. Kumara Swamy; Sudha Kumaraswamy; Praveen Kommana","Very Strong C-H...O, N-H...O, and O-H...O Hydrogen Bonds Involving a Cyclic Phosphate","Journal of the American Chemical Society","2001","123","","12642","12649","10.1021/ja010713x","","","0.71073","MoKα","","0.0705","0.0419","","","0.1055","0.1257","","","","","","1.061","","","","has coordinates","178929","2020-10-21","18:00:00","" "4115844","23.6647","0.0019","12.624","0.002","22.149","0.005","90","","95.301","0.014","90","","6588.6","1.9","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C32 H42 N4 O4.5 P -","- C32 H42 N4 O4.5 P -","- C256 H336 N32 O36 P8 -","8","1","","K. C. Kumara Swamy; Sudha Kumaraswamy; Praveen Kommana","Very Strong C-H...O, N-H...O, and O-H...O Hydrogen Bonds Involving a Cyclic Phosphate","Journal of the American Chemical Society","2001","123","","12642","12649","10.1021/ja010713x","","","0.71073","MoKα","","0.1143","0.0561","","","0.1404","0.1783","","","","","","1.042","","","","has coordinates","176467","2020-10-21","18:00:00","" "4115845","16.936","0.0012","19.447","0.006","22.983","0.003","90","","111.093","0.009","90","","7062","2","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C66 H101 K O16 P2 -","- C66 H101 K O16 P2 -","- C264 H404 K4 O64 P8 -","4","1","","K. C. Kumara Swamy; Sudha Kumaraswamy; Praveen Kommana","Very Strong C-H...O, N-H...O, and O-H...O Hydrogen Bonds Involving a Cyclic Phosphate","Journal of the American Chemical Society","2001","123","","12642","12649","10.1021/ja010713x","","","0.71073","MoKα","","0.1721","0.0633","","","0.1446","0.203","","","","","","1.007","","","","has coordinates","178929","2020-10-21","18:00:00","" "4115846","12.219","0.003","10.395","0.002","12.94","0.005","90","","109.26","0.02","90","","1551.6","0.8","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C28 H40 N3 O6 P -","- C28 H40 N3 O6 P -","- C56 H80 N6 O12 P2 -","2","1","","K. C. Kumara Swamy; Sudha Kumaraswamy; Praveen Kommana","Very Strong C-H...O, N-H...O, and O-H...O Hydrogen Bonds Involving a Cyclic Phosphate","Journal of the American Chemical Society","2001","123","","12642","12649","10.1021/ja010713x","","","0.71073","MoKα","","0.1043","0.0592","","","0.1464","0.1898","","","","","","1.045","","","","has coordinates","201982","2020-10-21","18:00:00","" "4115847","13.312","0.003","14.871","0.003","14.95","0.009","90","","97.66","0.03","90","","2933","2","293","2","293","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C28.5 H38 N5 O4.5 P -","- C28.5 H38 N5 O4.5 P -","- C114 H152 N20 O18 P4 -","4","1","","K. C. Kumara Swamy; Sudha Kumaraswamy; Praveen Kommana","Very Strong C-H...O, N-H...O, and O-H...O Hydrogen Bonds Involving a Cyclic Phosphate","Journal of the American Chemical Society","2001","123","","12642","12649","10.1021/ja010713x","","","0.71073","MoKα","","0.1394","0.0621","","","0.1632","0.22","","","","","","1.004","","","","has coordinates","176467","2020-10-21","18:00:00","" "4115848","14.647","0.003","10.056","0.002","19.454","0.003","90","","96.998","0.01","90","","2844","0.9","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C28 H40 N O6 P -","- C28 H40 N O6 P -","- C112 H160 N4 O24 P4 -","4","2","","K. C. Kumara Swamy; Sudha Kumaraswamy; Praveen Kommana","Very Strong C-H...O, N-H...O, and O-H...O Hydrogen Bonds Involving a Cyclic Phosphate","Journal of the American Chemical Society","2001","123","","12642","12649","10.1021/ja010713x","","","0.71073","MoKα","","0.0739","0.0434","","","0.1104","0.1392","","","","","","1.07","","","","has coordinates","178929","2020-10-21","18:00:00","" "4115849","7.638","0.004","13.286","0.004","18.879","0.003","90","","92.61","0.03","90","","1913.8","1.2","292.2","","292.2","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C21 H29 N O -","- C21 H29 N O -","- C84 H116 N4 O4 -","4","1","","Jonathan Clayden; Madeleine Helliwell; Jennifer H. Pink; Neil Westlund","Stereospecificity and Stereoselectivity in Electrophilic Substitution Reactions of Non-α-Heterosubstituted Organolithiums and Stannanes: A Rotationally Restricted Amide as an Internal Stereochemical Marker","Journal of the American Chemical Society","2001","123","","12449","12457","10.1021/ja0112590","","","0.7107","MoKα","","0.1203","0.0643","","0.0546","0.0504","","","","2.316","2.855","2.855","","","","","has coordinates","209479","2020-10-21","18:00:00","" "4115850","7.694","","13.465","","22.077","","90","","97.1","","90","","2269.63","","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C22 H33 N O Sn -","- C22 H33 N O Sn -","- C88 H132 N4 O4 Sn4 -","4","1","","Jonathan Clayden; Madeleine Helliwell; Jennifer H. Pink; Neil Westlund","Stereospecificity and Stereoselectivity in Electrophilic Substitution Reactions of Non-α-Heterosubstituted Organolithiums and Stannanes: A Rotationally Restricted Amide as an Internal Stereochemical Marker","Journal of the American Chemical Society","2001","123","","12449","12457","10.1021/ja0112590","","","0.71069","MoKα","","0.0531","0.0365","","","0.097","0.1058","","","","","","1.074","","","","has coordinates","178929","2020-10-21","18:00:00","" "4115851","21.484","0.001","14.019","0.002","11.0229","0.0009","90","","90","","90","","3319.9","0.6","150.2","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- C32 H58 Si4 -","- C32 H58 Si4 -","- C128 H232 Si16 -","4","0.5","","Takeaki Iwamoto; Dongzhu Yin; Chizuko Kabuto; Mitsuo Kira","The First 1,3-Disilabicyclo[1.1.0]butane with Long-Bridge Silicon-Silicon Bond","Journal of the American Chemical Society","2001","123","","12730","12731","10.1021/ja011658v","","","0.7107","MoKα","","","0.0431","","","","0.1361","","","","","","0.926","","","","has coordinates","176467","2020-10-21","18:00:00","" "4115852","39.7863","0.002","12.6041","0.0006","25.4511","0.0013","90","","107.363","0.001","90","","12181.4","1.1","173","","173","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C57 H52 B2 F24 N6 O Pt -","- C57 H52 B2 F33 N6 O Pt -","- C456 H416 B16 F264 N48 O8 Pt8 -","8","1","","Stefan Reinartz; Peter S. White; Maurice Brookhart; Joseph L. Templeton","Structural Characterization of an Intermediate in Arene C-H Bond Activation and Measurement of the Barrier to C-H Oxidative Addition: A Platinum(II) η2-Benzene Adduct","Journal of the American Chemical Society","2001","123","","12724","12725","10.1021/ja011765p","","","0.71073","MolybdenumKα","","0.081","0.053","","0.071","0.067","","","","","2.03","2.03","","","","","has coordinates","176467","2020-10-21","18:00:00","" "4115853","4.223","0.0007","11.2105","0.0017","12.332","0.002","90","","94.544","0.016","90","","581.99","0.16","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C4 H6 O2 S -","- C4 H6 O2 S -","- C16 H24 O8 S4 -","4","1","","Rosana M. Romano; Carlos O. Della Védova; Anthony J. Downs; Heinz Oberhammer; Simon Parsons","Structure and Conformational Properties of Diacetyl Sulfide in the Gaseous and Condensed Phases Explored by Gas Electron Diffraction, Single-Crystal X-ray Diffraction, Vibrational Spectroscopy, and Quantum Chemical Calculations","Journal of the American Chemical Society","2001","123","","12623","12631","10.1021/ja0117884","","","0.71073","MoKα","","0.0339","0.0267","","","0.0636","0.0664","","","","","","1.058","","","","has coordinates","201982","2020-10-21","18:00:00","" "4115854","12.5705","0.0013","22.028","0.002","4.6401","0.0005","90","","90","","90","","1284.9","0.2","293","2","293","2","","","","","","","","3","P b a m","-P 2 2ab","55","","","","- Bi9 Yb9 Zn4 -","- Bi9 Yb9 Zn4 -","- Bi18 Yb18 Zn8 -","2","0.25","","Sung-Jin Kim; Jim Salvador; Daniel Bilc; S. D. Mahanti; Mercouri G. Kanatzidis","Yb9Zn4Bi9: Extension of the Zintl Concept to the Mixed-Valent Spectator Cations","Journal of the American Chemical Society","2001","123","","12704","12705","10.1021/ja0168965","","","0.71073","MoKα","","0.0436","0.0378","","","0.1331","0.1364","","","","","","1.087","","","","has coordinates","176467","2020-10-21","18:00:00","" "4115855","16.9109","0.0008","24.267","0.002","30.21","0.003","90","","90","","90","","12397.5","1.7","120","2","120","2","","","","","","","","6","I 2 2 2","I 2 2","23","ASU-16","","","- C6 H18 F4 Ge14 N3 O32 -","- C6 H18 F4 Ge14 N3 O32 -","- C48 H144 F32 Ge112 N24 O256 -","8","1","","Jacques Plévert; Travis M. Gentz; Aaron Laine; Hailian Li; Victor G. Young; Omar M. Yaghi; Michael O'Keeffe","A Flexible Germanate Structure Containing 24-Ring Channels and with Very Low Framework Density","Journal of the American Chemical Society","2001","123","","12706","12707","10.1021/ja016996a","","","0.5594","X-rays","","0.0442","0.0385","","","0.0913","0.0924","","","","","","0.967","","","","has coordinates,has disorder","178929","2020-10-21","18:00:00","" "4115856","12.3129","0.0018","10.0702","0.0013","8.8975","0.0012","90","","126.471","0.002","90","","887.2","0.2","298","2","298","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","bispotassium salt of closo-B-1,12-decahydroxy-bis(sulfonic acid)-p-carborane dihydrate","K2 closo-2,3,4,5,6,7,8,9,10,11-decahydroxy-1,12-bis(sulfonic acid)- 1,12-dicarbadodecaborane(12) (H2O)2","","- C2 H14 B10 K2 O18 S2 -","- C2 H14 B10 K2 O18 S2 -","- C4 H28 B20 K4 O36 S4 -","2","0.25","","Axel Herzog; Carolyn B. Knobler; M. Frederick Hawthorne","Synthesis, Structure, and Reactivity of closo-2,3,4,5,6,7,8,9,10,11-Decahydroxy-1,12-bis(sulfonic acid)-1,12-dicarbadodecaborane(12)","Journal of the American Chemical Society","2001","123","","12791","12797","10.1021/ja011917g","","","0.71073","MoKα","","0.0298","0.0263","","","0.0705","0.0745","","","","","","0.516","","","","has coordinates","178929","2020-10-21","18:00:00","" "4115857","15.5395","0.0015","13.5678","0.0014","13.6715","0.0014","90","","93.092","0.002","90","","2878.3","0.5","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","closo-2,3,4,5,6,7,8,9,10,11-decamethoxy-1,12-bis(sulfonic acid methyl ester)-1,12-dicarbadodecaborane(12)","","- C14 H36 B10 O16 S2 -","- C14 H36 B10 O16 S2 -","- C56 H144 B40 O64 S8 -","4","1","","Axel Herzog; Carolyn B. Knobler; M. Frederick Hawthorne","Synthesis, Structure, and Reactivity of closo-2,3,4,5,6,7,8,9,10,11-Decahydroxy-1,12-bis(sulfonic acid)-1,12-dicarbadodecaborane(12)","Journal of the American Chemical Society","2001","123","","12791","12797","10.1021/ja011917g","","","0.71073","MoKα","","0.1005","0.0794","","","0.2118","0.2386","","","","","","0.994","","","","has coordinates,has disorder","178929","2020-10-21","18:00:00","" "4115858","7.4735","0.0014","7.9376","0.0015","9.5097","0.0018","77.594","0.004","73.677","0.003","68.076","0.003","498.4","0.16","298","2","100","2","","","","","","","","5","P -1","-P 1","2","bis hydronium salt of closo-B-decahydroxy-1,12-bis(sulfonic acid)-p-carborane","Closo-2,3,4,5,6,7,8,9,10,11-decahydroxy-1,12-bis(sulfonic acid)- 1,12-dicarbadodecaborane(12)","","- C2 H24 B10 O22 S2 -","- C2 H24 B10 O22 S2 -","- C2 H24 B10 O22 S2 -","1","0.5","","Axel Herzog; Carolyn B. Knobler; M. Frederick Hawthorne","Synthesis, Structure, and Reactivity of closo-2,3,4,5,6,7,8,9,10,11-Decahydroxy-1,12-bis(sulfonic acid)-1,12-dicarbadodecaborane(12)","Journal of the American Chemical Society","2001","123","","12791","12797","10.1021/ja011917g","","","0.71073","MoKα","","0.0301","0.0296","","","0.081","0.0813","","","","","","1.058","","","","has coordinates","178929","2020-10-21","18:00:00","" "4115859","16.282","0.005","7.343","0.002","16.735","0.005","90","","102.579","0.005","90","","1952.8","1","373","2","373","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","bissodium salt of closo-B-decahydroxy-1,12-bis(sulfonic acid)-p-carborane","bissodium salt of closo-2,3,4,5,6,7,8,9,10,11-decahydroxy-1,12-bis-(sulfonic acid)- 1,12-dicarbadodecaborane(12)","","- C2 H18 B10 Na2 O20 S2 -","- C2 H18 B10 Na2 O20 S2 -","- C8 H72 B40 Na8 O80 S8 -","4","0.5","","Axel Herzog; Carolyn B. Knobler; M. Frederick Hawthorne","Synthesis, Structure, and Reactivity of closo-2,3,4,5,6,7,8,9,10,11-Decahydroxy-1,12-bis(sulfonic acid)-1,12-dicarbadodecaborane(12)","Journal of the American Chemical Society","2001","123","","12791","12797","10.1021/ja011917g","","","0.71073","MoKα","","0.0594","0.0342","","","0.0779","0.0851","","","","","","0.961","","","","has coordinates,has disorder","178929","2020-10-21","18:00:00","" "4115860","8.8396","0.0006","20.387","0.002","16.916","0.001","90","","93.02","0.001","90","","3044.2","0.4","173","2","173","2","","","","","","","M. Costas, Prof. L. Que","7","C 1 c 1","C -2yc","9","99339","","","- C24 H32 F6 Fe N4 O6 S2 -","- C24 H32 F6 Fe N4 O6 S2 -","- C96 H128 F24 Fe4 N16 O24 S8 -","4","1","","Miquel Costas; Jan-Uwe Rohde; Audria Stubna; Raymond Y. N. Ho; Luca Quaroni; Eckard Münck; Lawrence Que","A Synthetic Model for the Putative FeIV2O2 Diamond Core of Methane Monooxygenase Intermediate Q","Journal of the American Chemical Society","2001","123","","12931","12932","10.1021/ja017204f","","","0.71073","MoKα","","0.0474","0.0417","","0.1033","0.0988","","","","0.997","1.012","1.012","","","","","has coordinates","178929","2020-10-21","18:00:00","" "4123958","23.58","","23.58","","43.922","","90","","90","","90","","24421.4","","","","","","","","","","","","","3","I 41/a c d :2","-I 4bd 2c","142","","(Cd4 In16 S33) (H2 O)20 ((N2 C4 H8) ((N H2) C3 H6)2)2.5","","- Cd4 In16 S33 -","- Cd4 In16 S33 -","- Cd32 In128 S264 -","8","0.25","","Li, H.-L.; Kim, J.; O'Keeffe, M.; Groy, T.L.; Yaghi, O.M.","20 A (Cd4 In16 S35)(14-) supertetrahedral T4 clusters as building units in decorated cristobalite frameworks","Journal of the American Chemical Society","2001","123","","4867","4868","","","","","","","","","","","","","","","","","","","","","","has coordinates","146810","2020-10-21","18:00:00","" "4123959","13.1","","13.1","","13.8","","90","","90","","90","","2368.22","","","","","","","","","","","","","2","P 42/m m c","-P 4c 2","131","","(Si O2)32","","- O64 Si32 -","- O64 Si32 -","- O64 Si32 -","1","0.0625","","Liu, Z.; Diaz-Cabanas, M.J.; Ohsuna, T.; Terasaki, O.; Hiraga, K.; Camblor, M.A.","The first zeolite with three-dimensional intersecting straight-channel system of 12-membered rings","Journal of the American Chemical Society","2001","123","","5370","5371","","","","","","","","","","","","","","","","","","","","","","has coordinates","146877","2020-10-21","18:00:00","" "4123960","8.701","","9.21","","12.385","","111.11","","101.42","","102.08","","863.77","","","","","","","","","","","","","6","P -1","-P 1","2","","(Al4 (P O4)4 (O H)) (C4 H10 N)","","- C4 H11 Al4 N O17 P4 -","- C4 Al4 N O17 P4 -","- C8 Al8 N2 O34 P8 -","2","1","","Loiseau, T.; Ferey, G.; Mellot-Draznieks, C.; Sassoye, C.; Girard, S.; Huguenard, C.; Taulelle, F.; Guillou, N.","Chemistry - structure - simulation or chemistry - simulation - structure sequences? the case of MIL-34, a new porous aluminophosphate","Journal of the American Chemical Society","2001","123","","9642","9651","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "4123961","8.784","","8.784","","12.85","","110.43","","98.5","","104.92","","866.319","","","","","","","","","","","","","3","P -1","-P 1","2","","Al (P O4)","","- Al O4 P -","- Al O4 P -","- Al8 O32 P8 -","8","4","","Loiseau, T.; Mellot-Draznieks, C.; Taulelle, F.; Girard, S.; Sassoye, C.; Ferey, G.; Huguenard, C.; Guillou, N.","Chemistry - structure - simulation or chemistry - simulation - structure sequences? the case of MIL-34, a new porous aluminophosphate","Journal of the American Chemical Society","2001","123","","9642","9651","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "4123962","8.959","","5.6327","","9.13","","90","","90.159","","90","","460.729","","","","","","","","","","","","","5","P 1 21 1","P 2yb","4","","(N H4) (Zn As O4)","","- As H4 N O4 Zn -","- As N O4 Zn -","- As4 N4 O16 Zn4 -","4","2","","Feng, P.-Y.; Zhang, T.-Z.; Bu Xianhui","Arsenate zeolite analogues with 11 topological types","Journal of the American Chemical Society","2001","123","","8608","8609","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "4123963","13.8527","","13.8527","","13.8527","","90","","90","","90","","2658.3","","","","","","","","","","","","","5","I 21 3","I 2b 2c 3","199","","(N H4) (Zn (H2 O)) (Zn As O4)3","","- As3 H6 N O13 Zn4 -","- As3 N O13 Zn4 -","- As24 N8 O104 Zn32 -","8","0.333333","","Feng, P.-Y.; Zhang, T.-Z.; Bu Xianhui","Arsenate zeolite analogues with 11 topological types","Journal of the American Chemical Society","2001","123","","8608","8609","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "4123964","6.0838","","4.214","","10.361","","90","","98.83","","90","","262.478","","","","","","","","","","","","","3","P 1 21/m 1","-P 2yb","11","","Cu0.25 U Te3","","- Cu0.25 Te3 U -","- Cu0.25 Te3 U -","- Cu0.5 Te6 U2 -","2","0.5","","Patschke, R.; Breshears, J.D.; Kannewurf, C.R.; Brazis, P.; Billinge, S.J.L.; Kanatzidis, M.G.","Cux U Te3 : stabilization of U Te3 in the Zr Se3 structure type via copper insertion. the artifact of Te - Te chains and evidence for distortions due to long range modulations","Journal of the American Chemical Society","2001","123","","4755","4762","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "4123965","13.038","","21.175","","22.353","","85.966","","83.556","","77.854","","5988","","","","","","","","","","","","","8","P -1","-P 1","2","","Ag10.4 P2 V4 Mo20 O80 (N O3)0.4 (C H3 C N)17.3 (H2 O)1.5","","- C34.6 H54.9 Ag10.4 Mo20 N17.7 O82.7 P2 V4 -","- C34.599 Ag10.4 Mo19.9992 N17.6995 O82.7 P2 V4.0008 -","- C69.198 Ag20.8 Mo39.9984 N35.399 O165.4 P4 V8.0016 -","2","1","","Rhule, J.T.; Hill, C.L.; Neiwert, W.A.; Do, B.T.; Hardcastle, K.I.","Ag5 P V2 Mo10 O40, a heterogeneous catalyst for air-based selective oxidation at ambient temperature","Journal of the American Chemical Society","2001","123","","12101","12102","","","","","","","","","","","","","","","","","","","","","","has coordinates","147525","2020-10-21","18:00:00","" "4123966","5.5898","","5.8502","","7.8665","","90","","90","","90","","257.246","","","","","","","","","","","","","3","P b n m","-P 2c 2ab","62","","La (Pd O3)","","- La O3 Pd -","- La O3 Pd -","- La4 O12 Pd4 -","4","0.5","","Kim, S.-J.; Lemaux, S.; Demazeau, G.; Choy, J.-H.; Kim, J.-Y.","La Pd O3 : the first Pd(III) oxide with the perovskite structure","Journal of the American Chemical Society","2001","123","","10413","10414","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "4123967","11.5101","","11.5101","","11.5101","","90","","90","","90","","1524.89","","","","","","","","","","","","","4","P m -3 m","-P 4 2 3","221","","Sm8 Ru12 Al49 Si9 (Al0.333 Si0.667)12","","- Al52.996 Ru12 Si17.004 Sm8 -","- Al52.996 Ru12 Si17.004 Sm8 -","- Al52.996 Ru12 Si17.004 Sm8 -","1","0.0208333","","Sieve, B.; Henning, R.; Chen, X.Z.; Kanatzidis, M.G.; Kannewurf, C.R.; Brazis, P.; Schultz, A.J.; Cowen, J.A.","Cubic aluminium silicides RE8 Ru12 Al49 Si9 (Alx Si12-x) (RE = Pr, Sm) from liquid aluminum. Empty (Si, Al)12 cuboctahedral clusters and assignment of the Al/Si distribution with neutron diffraction","Journal of the American Chemical Society","2001","123","","7040","7047","","","","","","","","","","","","","","","","","","","","","","has coordinates","147860","2020-10-21","18:00:00","" "4123968","11.553","","11.553","","11.553","","90","","90","","90","","1542","","","","","","","","","","","","","4","P m -3 m","-P 4 2 3","221","","Pr8 Ru12 Al49 Si9 (Al0.37 Si0.63)12","","- Al53.44 Pr8 Ru12 Si16.56 -","- Al53.44 Pr8 Ru12 Si16.56 -","- Al53.44 Pr8 Ru12 Si16.56 -","1","0.0208333","","Sieve, B.; Chen, X.Z.; Henning, R.; Brazis, P.; Kannewurf, C.R.; Cowen, J.A.; Schultz, A.J.; Kanatzidis, M.G.","Cubic aluminium silicides RE8 Ru12 Al49 Si9 (Alx Si12-x) (RE= Pr, Sm) from liquid aluminum. Empty (Si, Al)12 cuboctahedral clusters and assignment of the Al/Si distribution with neutron diffraction","Journal of the American Chemical Society","2001","123","","7040","7047","","","","","","","","","","","","","","","","","","","","","","has coordinates","147862","2020-10-21","18:00:00","" "4123969","9.6517","","9.6517","","13.048","","90","","90","","120","","1052.65","","","","","","","","","","","","","3","R 3 2 :H","R 3 2""","155","","Sr6 Rh5 O15","","- O15 Rh5 Sr6 -","- O15 Rh5 Sr6 -","- O45 Rh15 Sr18 -","3","0.166667","","Stitzer, K.E.; Darriet, J.; El Abed, A.; zur Loye, H.C.","Growth of Sr6 Rh5 O15 single crystals from high-temperature solutions: structure determination using the traditional 3-D and the 4-D superspace group methods and magnetic measurements on oriented single crystals","Journal of the American Chemical Society","2001","123","","8790","8796","","","","","","","","","","","","","","","","","","","","","","has coordinates","147931","2020-10-21","18:00:00","" "4123970","9.6517","","9.6517","","2.6096","","90","","90","","120","","210.529","","","","","","","","","","","","","2","R -3 m :H","-R 3 2""","166","","Sr6 Rh5 O15","","- O14.994 Rh4.998 -","- O14.994 Rh4.998 -","- O14.994 Rh4.998 -","1","0.0277778","","Stitzer, K.E.; El Abed, A.; zur Loye, H.C.; Darriet, J.","Growth of Sr6 Rh5 O15 single crystals from high-temperature solutions: structure determination using the traditional 3-D and the 4-D superspace group methods and magnetic measurements on oriented single crystals","Journal of the American Chemical Society","2001","123","","8790","8796","","","","","","","","","","","","","","","","","","","","","","has coordinates","147933","2020-10-21","18:00:00","" "4123971","9.6517","","9.6517","","4.3493","","90","","90","","120","","350.879","","","","","","","","","","","","","1","P -3 c 1","-P 3 2""c","165","","Sr6 Rh5 O15","","- Sr6 -","- Sr6 -","- Sr6 -","1","0.0833333","","Stitzer, K.E.; El Abed, A.; Darriet, J.; zur Loye, H.C.","Growth of Sr6 Rh5 O15 single crystals from high-temperature solutions: structure determination using the traditional 3-D and the 4-D superspace group methods and magnetic measurements on oriented single crystals","Journal of the American Chemical Society","2001","123","","8790","8796","","","","","","","","","","","","","","","","","","","","","","has coordinates","147935","2020-10-21","18:00:00","" "4123972","10.913","","12.654","","16.675","","90","","104.715","","90","","2227.18","","","","","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","(N5) (Sb2 F11)","","- F11 N5 Sb2 -","- F11 N5 Sb2 -","- F88 N40 Sb16 -","8","1","","Vij, A.; Wilson, W.W.; Vij, V.; Sheehy, J.A.; Tham, F.S.; Christe, K.O.","Polynitrogen chemistry. Synthesis, characterization, and crystal structure of surprisingly stable fluoroantimonate salts of (N5)(+)","Journal of the American Chemical Society","2001","123","","6308","6313","","","","","","","","","","","","","","","","","","","","","","has coordinates","148172","2020-10-21","18:00:00","" "4123973","15.6856","","3.8307","","20.7098","","90","","113.056","","90","","1144.99","","","","","","","","","","","","","2","A 1 2/m 1","-A 2y","12","","","","- Nb12 O29 -","- Nb12 O29 -","- Nb24 O58 -","2","0.25","","Waldron, J.E.L.; Green, M.A.; Neumann, D.A.","Charge and spin ordering in monoclinic Nb12 O29","Journal of the American Chemical Society","2001","123","","5833","5834","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00","" "4123974","42.122","","42.122","","16.703","","90","","90","","90","","29635.5","","","","","","","","","","","","","3","I -4 2 d","I -4 2bw","122","","(Cd4 In16 S33) ((C5 H9 N H)2 (C H2)3)","","- Cd4 In16 S33 -","- Cd4 In16 S33 -","- Cd32 In128 S264 -","8","0.5","","Wang, C.; Li, Y.-Q.; Bu Xianhui; Zheng, N.-F.; Feng, P.-Y.; Zivkovic, O.; Yang, C.-S.","Three-dimensional superlattices built from (M4 In16 S33)(10-) (M= Mn, Co, Zn, Cd) supertetrahedral clusters","Journal of the American Chemical Society","2001","123","","11506","11507","","","","","","","","","","","","","","","","","","","","","","has coordinates","148193","2020-10-21","18:00:00","" "4123975","41.811","","41.811","","16.685","","90","","90","","90","","29168","","","","","","","","","","","","","3","I -4 2 d","I -4 2bw","122","","(Zn4 In16 S33) ((C5 H9 N H)2 (C H2)3)","","- In16 S33 Zn4 -","- In16 S33 Zn4 -","- In128 S264 Zn32 -","8","0.5","","Wang, C.; Li, Y.-Q.; Bu Xianhui; Zheng, N.-F.; Zivkovic, O.; Yang, C.-S.; Feng, P.-Y.","Three-dimensional superlattices built from (M4 In16 S33)(10-) (M = Mn, Co, Zn, Cd) supertetrahedral clusters","Journal of the American Chemical Society","2001","123","","11506","11507","","","","","","","","","","","","","","","","","","","","","","has coordinates","148194","2020-10-21","18:00:00","" "4123976","41.698","","41.698","","16.673","","90","","90","","90","","28989.7","","","","","","","","","","","","","3","I -4 2 d","I -4 2bw","122","","(Co4 In16 S33) ((C5 H9 N H)2 (C H2)3)","","- Co4 In16 S33 -","- Co4 In16 S33 -","- Co32 In128 S264 -","8","0.5","","Wang, C.; Li, Y.-Q.; Bu Xianhui; Feng, P.-Y.; Zheng, N.-F.; Zivkovic, O.; Yang, C.-S.","Three-dimensional superlattices built from (M4 In16 S33)(10-) (M = Mn, Co, Zn, Cd) supertetrahedral clusters","Journal of the American Chemical Society","2001","123","","11506","11507","","","","","","","","","","","","","","","","","","","","","","has coordinates","148195","2020-10-21","18:00:00","" "4123977","23.58","","23.58","","43.922","","90","","90","","90","","24421.4","","","","","","","","","","","","","3","I 41/a c d :2","-I 4bd 2c","142","","(Zn4 In16 S33) ((N2 C4 H8) ((N H2) C3 H6)2)","","- In16 S33 Zn4 -","- In16 S33 Zn4 -","- In128 S264 Zn32 -","8","0.25","","Wang, C.; Li, Y.-Q.; Feng, P.-Y.; Zheng, N.-F.; Zivkovic, O.; Yang, C.-S.; Bu Xianhui","Three-dimensional superlattices built from (M4 In16 S33)(10-) (M = Mn, Co, Zn, Cd) supertetrahedral clusters","Journal of the American Chemical Society","2001","123","","11506","11507","","","","","","","","","","","","","","","","","","","","","","has coordinates","148196","2020-10-21","18:00:00","" "4124774","14.23659","","14.23659","","14.23659","","90","","90","","90","","2885.48","","","","","","","","","","","","","7","F m -3 m","-F 4 2 3","225","","Ni4 ((Re (C N))6 Se8)2.667 (H2 O)45.8","","- C16.002 H91.6 N16.002 Ni4 O45.8 Re16.002 Se21.336 -","- C16.0008 N16.0008 Ni4 O45.8124 Re16.0008 Se21.3344 -","- C16.0008 N16.0008 Ni4 O45.8124 Re16.0008 Se21.3344 -","1","0.00520833","","Bennett, M.V.; Shores, M.P.; Beauvais, L.G.; Long, J.R.","Expanded prussian blue analogues incorporating (Re6 Se8 (C N)6)(3-/4-) clusters: adjusting porosity via charge balance.","Journal of the American Chemical Society","2001","123","","8022","8032","","","","","","","","","","","","","","","","","","","","","","has coordinates","172614","2020-10-21","18:00:00","" "4319098","3.635","0.0007","17.16","0.003","6.98","0.0014","90","","90.58","0.03","90","","435.37","0.14","293","2","293","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C10 H8 Cl4 Cu6 N6 -","- C10 H8 Cl4 Cu6 N6 -","- C10 H8 Cl4 Cu6 N6 -","1","0.25","","Nicole S. Persky; Jessica M. Chow; Karalee A. Poschmann; Nanette N. Lacuesta; Sarah L. Stoll; Simon G. Bott; Steven Obrey","Hydrothermal Syntheses, Structures, and Properties of [Cu3Cl2CN(pyrazine)] and Copper(I) Halide Pyrazine Polymers","Inorganic Chemistry","2001","40","","29","35","10.1021/ic000185a","","","0.71073","MoKα","","0.0656","0.0591","","0.1821","0.1659","","","","1.046","1.096","1.096","","","","","has coordinates","179270","2020-10-21","18:00:00","" "4319099","6.9671","0.0014","7.849","0.002","8.099","0.002","71.69","0.03","70.71","0.03","85.43","0.03","396.72","0.19","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C4 H4 Br2 Cu2 N2 -","- C4 H4 Br2 Cu2 N2 -","- C8 H8 Br4 Cu4 N4 -","2","1","","Nicole S. Persky; Jessica M. Chow; Karalee A. Poschmann; Nanette N. Lacuesta; Sarah L. Stoll; Simon G. Bott; Steven Obrey","Hydrothermal Syntheses, Structures, and Properties of [Cu3Cl2CN(pyrazine)] and Copper(I) Halide Pyrazine Polymers","Inorganic Chemistry","2001","40","","29","35","10.1021/ic000185a","","","0.71073","MoKα","","0.0947","0.0732","","0.2678","0.2048","","","","0.903","1.184","1.184","","","","","has coordinates","179270","2020-10-21","18:00:00","" "4319100","10.947","0.001","11.945","0.001","12.896","0.001","66.8","0.01","77.21","0.01","85.73","0.01","1511.3","0.3","173","2","173","2","","","","","","","","5","P -1","-P 1","2","tetraphenylphosphonium triiodotetrabromide","","","- C24 H20 Br4 I3 P -","- C24 H20 Br4 I3 P -","- C48 H40 Br8 I6 P2 -","2","1","","Rolf Minkwitz; Michael Berkei; Ralf Ludwig","Preparation and Crystal Structure of Tetraphenylphosphonium Triiodotetrabromide [PPh4][I3Br4]","Inorganic Chemistry","2001","40","","25","28","10.1021/ic000257y","","","0.71069","MoKα","","0.0779","0.0362","","0.1207","0.0944","","","","0.85","0.898","0.898","","","","","has coordinates","179271","2020-10-21","18:00:00","" "4319101","7.407","0.004","28.963","0.006","14.744","0.005","90","0.02","103.26","0.04","90","0.03","3079","2","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C32 H74 Fe3 N34 Ni4 O7 -","- C32 H64 Fe3 N34 Ni4 O7 -","- C64 H128 Fe6 N68 Ni8 O14 -","2","0.5","","M. Clemente-León; E. Coronado; J. R. Galán-Mascarós; C. J. Gómez-García; Th. Woike; J. M. Clemente-Juan","Bimetallic Cyanide-Bridged Complexes Based on the Photochromic Nitroprusside Anion and Paramagnetic Metal Complexes. Syntheses, Structures, and Physical Characterization of the Coordination Compounds [Ni(en)2]4[Fe(CN)5NO]2[Fe(CN)6].5H2O, [Ni(en)2][Fe(CN)5NO].3H2O, [Mn(3-MeOsalen)(H2O)]2[Fe(CN)5NO], and [Mn(5-Brsalen)]2[Fe(CN)5NO]","Inorganic Chemistry","2001","40","","87","94","10.1021/ic0003022","","","0.71069","MoKα","","0.2386","0.0655","","","0.1268","0.1718","","","","","","0.977","","","","has coordinates","288183","2023-12-08","14:42:59","" "4319102","11.076","0.003","10.983","0.002","17.018","0.002","90","0","107.25","0.002","90","0","1977.1","0.7","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C9 H22 Fe N10 Ni O4 -","- C9 H16 Fe N10 Ni O4 -","- C36 H64 Fe4 N40 Ni4 O16 -","4","1","","M. Clemente-León; E. Coronado; J. R. Galán-Mascarós; C. J. Gómez-García; Th. Woike; J. M. Clemente-Juan","Bimetallic Cyanide-Bridged Complexes Based on the Photochromic Nitroprusside Anion and Paramagnetic Metal Complexes. Syntheses, Structures, and Physical Characterization of the Coordination Compounds [Ni(en)2]4[Fe(CN)5NO]2[Fe(CN)6].5H2O, [Ni(en)2][Fe(CN)5NO].3H2O, [Mn(3-MeOsalen)(H2O)]2[Fe(CN)5NO], and [Mn(5-Brsalen)]2[Fe(CN)5NO]","Inorganic Chemistry","2001","40","","87","94","10.1021/ic0003022","","","0.71069","MoKα","","0.0712","0.0478","","","0.134","0.147","","","","","","1.034","","","","has coordinates","288183","2023-12-08","14:42:59","" "4319103","8.896","0.005","10.43","0.005","12.699","0.005","71.11","0.005","77.99","0.005","89.47","0.005","1088.3","0.9","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C41 H40 Fe Mn2 N10 O11 -","- C41 H36 Fe Mn2 N10 O11 -","- C41 H36 Fe Mn2 N10 O11 -","1","0.5","","M. Clemente-León; E. Coronado; J. R. Galán-Mascarós; C. J. Gómez-García; Th. Woike; J. M. Clemente-Juan","Bimetallic Cyanide-Bridged Complexes Based on the Photochromic Nitroprusside Anion and Paramagnetic Metal Complexes. Syntheses, Structures, and Physical Characterization of the Coordination Compounds [Ni(en)2]4[Fe(CN)5NO]2[Fe(CN)6].5H2O, [Ni(en)2][Fe(CN)5NO].3H2O, [Mn(3-MeOsalen)(H2O)]2[Fe(CN)5NO], and [Mn(5-Brsalen)]2[Fe(CN)5NO]","Inorganic Chemistry","2001","40","","87","94","10.1021/ic0003022","","","0.71069","MoKα","","0.1496","0.0591","","","0.1496","0.2359","","","","","","1.178","","","","has coordinates","288183","2023-12-08","14:42:59","" "4319104","13.63","0.005","13.63","0.005","21.42","0.008","90","","90","","90","","3979","3","293","2","293","2","","","","","","","","7","P 4/n c c :2","-P 4a 2ac","130","","","","- C37 H24 Br4 Fe Mn2 N10 O5 -","- C37 H24 Br4 Fe Mn2 N10 O5 -","- C148 H96 Br16 Fe4 Mn8 N40 O20 -","4","0.25","","M. Clemente-León; E. Coronado; J. R. Galán-Mascarós; C. J. Gómez-García; Th. Woike; J. M. Clemente-Juan","Bimetallic Cyanide-Bridged Complexes Based on the Photochromic Nitroprusside Anion and Paramagnetic Metal Complexes. Syntheses, Structures, and Physical Characterization of the Coordination Compounds [Ni(en)2]4[Fe(CN)5NO]2[Fe(CN)6].5H2O, [Ni(en)2][Fe(CN)5NO].3H2O, [Mn(3-MeOsalen)(H2O)]2[Fe(CN)5NO], and [Mn(5-Brsalen)]2[Fe(CN)5NO]","Inorganic Chemistry","2001","40","","87","94","10.1021/ic0003022","","","0.71069","MoKα","","0.0835","0.0319","","","0.0636","0.0755","","","","","","0.935","","","","has coordinates","288183","2023-12-08","14:42:59","" "4319105","16.3144","0.0012","16.3144","0.0012","52.47","0.002","90","","90","","120","","12094.4","1.3","293","2","293","2","","","","","","","GRCM - INSA-Rennes","6","R 3 :H","R 3","146","","","","- C26 H28 Cu2 N6 Nd1.33 O20 -","- C26 Cu2 N6 Nd1.33333 O20 -","- C234 Cu18 N54 Nd12 O180 -","9","1","","Carole Daiguebonne; Olivier Guillou; Myrtil L. Kahn; Olivier Kahn; Robert L. Oushoorn; Kamal Boubekeur","A NdIIICuII Molecular Material with a Honeycomb-like Structure","Inorganic Chemistry","2001","40","","176","178","10.1021/ic000375l","","","0.71073","MoKα","","0.3178","0.079","","0.2976","0.1776","","","","0.793","1.172","1.172","","","","","has coordinates","179271","2020-10-21","18:00:00","" "4319106","9.76","0.005","31.535","0.006","14.191","0.007","90","","108.08","0.04","90","","4152","3","296.2","","","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C38 H20 Cl12 Co2 Cr O6 -","- C38 H20 Cl12 Co2 Cr O6 -","- C152 H80 Cl48 Co8 Cr4 O24 -","4","1","","Ho-Chol Chang; Hitoshi Miyasaka; Susumu Kitagawa","New Molecular Assemblies of Redox Isomers, [CrIII(X4SQ)3-n (X4Cat)n]-n(X = Cl and Br; n = 0, 1, and 2), with Metallocenium Cations, [MIIICp2]+ (M = Co and Fe): X-ray Crystal Structures and Physical Properties","Inorganic Chemistry","2001","40","","146","156","10.1021/ic0003832","","","0.7107","MoKα","","","0.1025","","","","0.1129","","","","","","2.397","","","","has coordinates","176467","2020-10-21","18:00:00","" "4319107","13.472","0.001","20.5443","0.0005","17.6961","0.0003","90","","110.432","0.0004","90","","4589.7","0.4","296.2","","","","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C38 H20 Br12 Co2 Cr O6 -","- C38 H20 Br12 Co2 Cr O6 -","- C152 H80 Br48 Co8 Cr4 O24 -","4","1","","Ho-Chol Chang; Hitoshi Miyasaka; Susumu Kitagawa","New Molecular Assemblies of Redox Isomers, [CrIII(X4SQ)3-n (X4Cat)n]-n(X = Cl and Br; n = 0, 1, and 2), with Metallocenium Cations, [MIIICp2]+ (M = Co and Fe): X-ray Crystal Structures and Physical Properties","Inorganic Chemistry","2001","40","","146","156","10.1021/ic0003832","","","0.7107","MoKα","","","0.0379","","","","0.041","","","","","","1.379","","","","has coordinates","176467","2020-10-21","18:00:00","" "4319108","10.9346","0.0003","13.939","0.002","14.3387","0.0008","82.036","0.003","75.47","0.002","67.498","0.001","1952.3","0.3","296.2","","","","","","","","","","","6","P -1","-P 1","2","","","","- C34 H16 Cl12 Cr Fe O6 -","- C34 H16 Cl12 Cr Fe O6 -","- C68 H32 Cl24 Cr2 Fe2 O12 -","2","1","","Ho-Chol Chang; Hitoshi Miyasaka; Susumu Kitagawa","New Molecular Assemblies of Redox Isomers, [CrIII(X4SQ)3-n (X4Cat)n]-n(X = Cl and Br; n = 0, 1, and 2), with Metallocenium Cations, [MIIICp2]+ (M = Co and Fe): X-ray Crystal Structures and Physical Properties","Inorganic Chemistry","2001","40","","146","156","10.1021/ic0003832","","","0.7107","MoKα","","","0.0336","","","","0.0521","","","","","","2.491","","","","has coordinates","176467","2020-10-21","18:00:00","" "4319109","11.075","0.001","11.2691","0.0007","16.899","0.002","86.12","0.003","80.609","0.001","73.578","0.001","1995.4","0.3","296.2","","","","","","","","","","","7","P -1","-P 1","2","","","","- C29 H10 Br12 Cr Fe O6 S2 -","- C29 H10 Br12 Cr Fe O6 S2 -","- C58 H20 Br24 Cr2 Fe2 O12 S4 -","2","1","","Ho-Chol Chang; Hitoshi Miyasaka; Susumu Kitagawa","New Molecular Assemblies of Redox Isomers, [CrIII(X4SQ)3-n (X4Cat)n]-n(X = Cl and Br; n = 0, 1, and 2), with Metallocenium Cations, [MIIICp2]+ (M = Co and Fe): X-ray Crystal Structures and Physical Properties","Inorganic Chemistry","2001","40","","146","156","10.1021/ic0003832","","","0.7107","MoKα","","","0.0494","","","","0.0535","","","","","","1.8","","","","has coordinates","176467","2020-10-21","18:00:00","" "4319110","23.904","0.002","17.807","0.003","16.6538","0.0004","90","","123.285","0.0005","90","","5925.9","1.1","296.2","","","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C46 H10 Cl24 Cr2 Fe O12 -","- C46 H10 Cl24 Cr2 Fe O12 -","- C184 H40 Cl96 Cr8 Fe4 O48 -","4","0.5","","Ho-Chol Chang; Hitoshi Miyasaka; Susumu Kitagawa","New Molecular Assemblies of Redox Isomers, [CrIII(X4SQ)3-n (X4Cat)n]-n(X = Cl and Br; n = 0, 1, and 2), with Metallocenium Cations, [MIIICp2]+ (M = Co and Fe): X-ray Crystal Structures and Physical Properties","Inorganic Chemistry","2001","40","","146","156","10.1021/ic0003832","","","0.7107","MoKα","","","0.0416","","","","0.0455","","","","","","1.615","","","","has coordinates","176467","2020-10-21","18:00:00","" "4319111","6.898","0.001","7.31","0.001","20.127","0.001","90","","90","","90","","1014.9","0.2","173","2","173","2","","","","","","","","4","C m c e","-C 2ac 2","64","","(Trifluoromethyl)iodine chloride fluoride","","- C Cl F4 I -","- C Cl F4 I -","- C8 Cl8 F32 I8 -","8","0.5","","Rolf Minkwitz; Michael Berkei","Crystal Structure of CF3I(Cl)F","Inorganic Chemistry","2001","40","","36","38","10.1021/ic000439s","","","0.71069","MoKα","","0.0409","0.0372","","0.0999","0.0981","","","","1.149","1.195","1.195","","","","","has coordinates","264242","2021-04-16","08:52:17","" "4319112","10.349","0.002","17.662","0.004","17.73","0.008","75.82","0.03","74.11","0.03","89.45","0.02","3016.2","1.8","153","5","153","5","","","","","","","","5","P -1","-P 1","2","","","","- C66 H60 Ho2 N10 Te2 -","- C66 H60 Ho2 N10 Te2 -","- C132 H120 Ho4 N20 Te4 -","2","1","","Anna Kornienko; Deborah Freedman; Thomas J. Emge; John G. Brennan","Heteroleptic Lanthanide Compounds with Chalcogenolate Ligands: Reduction of PhNNPh/PhEEPh (E = Se or Te) Mixtures with Ln (Ln = Ho, Er, Tm, Yb). Thermolysis Can Give LnN or LnE","Inorganic Chemistry","2001","40","","140","145","10.1021/ic000499y","","","0.71073","MoKα","","0.0651","0.0323","","","0.0693","0.074","","","","","","0.998","","","","has coordinates,has disorder","179271","2020-10-21","18:00:00","" "4319113","11.864","0.003","14.188","0.002","17.624","0.002","90","0.01","91.62","0.02","90","0.02","2965.4","0.9","153","5","153","5","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C33 H30 Er N5 Se -","- C33 H30 Er N5 Se -","- C132 H120 Er4 N20 Se4 -","4","1","","Anna Kornienko; Deborah Freedman; Thomas J. Emge; John G. Brennan","Heteroleptic Lanthanide Compounds with Chalcogenolate Ligands: Reduction of PhNNPh/PhEEPh (E = Se or Te) Mixtures with Ln (Ln = Ho, Er, Tm, Yb). Thermolysis Can Give LnN or LnE","Inorganic Chemistry","2001","40","","140","145","10.1021/ic000499y","","","0.71073","MoKα","","0.0396","0.0332","","","0.0819","0.0839","","","","","","0.997","","","","has coordinates","179271","2020-10-21","18:00:00","" "4319114","12.919","0.002","21.544","0.005","12.6178","0.0015","91.895","0.015","103.815","0.014","82.14","0.02","3378.2","1.1","213","2","213","2","","","","","","","","7","P -1","-P 1","2","compound 2a","","","- C66 H97.5 B N6 O4 P2 Ru -","- C66.28 H71 B N6 O4.32 P2 Ru -","- C132.56 H142 B2 N12 O8.64 P4 Ru2 -","2","1","","Munetaka Akita; Yoshiaki Takahashi; Shiro Hikichi; Yoshihiko Moro-oka","Synthesis and Dehydrative Condensation of Monomeric Hydroxoruthenium Complexes with Hydrotris(3,5-diisopropylpyrazolyl)borate Ligand, TpiPr2Ru(L2)-OH (L2= dppe, bipy)","Inorganic Chemistry","2001","40","","169","172","10.1021/ic000520v","","","0.7107","MoKα","","0.0783","0.0732","","0.2105","0.2009","","","","1.752","1.772","1.772","","","","","has coordinates","176467","2020-10-21","18:00:00","" "4319115","16.23","0.005","16.205","0.004","15.454","0.009","91.69","0.04","115.78","0.03","100.6","0.04","3570","3","213","2","213","2","","","","","","","","8","P -1","-P 1","2","compound 4b","","","- C68 H92 B Cl N6 O5 P2 Ru -","- C68 H92 B Cl N6 O5 P2 Ru -","- C136 H184 B2 Cl2 N12 O10 P4 Ru2 -","2","1","","Munetaka Akita; Yoshiaki Takahashi; Shiro Hikichi; Yoshihiko Moro-oka","Synthesis and Dehydrative Condensation of Monomeric Hydroxoruthenium Complexes with Hydrotris(3,5-diisopropylpyrazolyl)borate Ligand, TpiPr2Ru(L2)-OH (L2= dppe, bipy)","Inorganic Chemistry","2001","40","","169","172","10.1021/ic000520v","","","0.7107","MoKα","","0.0775","0.066","","0.2022","0.1935","","","","1.473","1.523","1.523","","","","","has coordinates","179271","2020-10-21","18:00:00","" "4319116","9.8701","0.0002","14.0583","0.0002","26.1718","0.0003","90","","99.692","0.001","90","","3579.68","0.1","151","2","151","2","","","","","","","J. Schneider / Prof. W. Tolman","6","P 1 21/c 1","-P 2ybc","14","97267","","","- C40 H34 B Cl2 Cu N6 -","- C40 H34 B Cl2 Cu N6 -","- C160 H136 B4 Cl8 Cu4 N24 -","4","1","","Jamie L. Schneider; Victor G. Young; William B. Tolman","Copper(I) Chemistry of Bis(pyrazolyl)diphenylborate Ligands: Formation of a Heterocycle by Cu-Mediated Acetonitrile Addition","Inorganic Chemistry","2001","40","","165","168","10.1021/ic000637j","","","0.71073","MoKα","","0.0459","0.0361","","0.0828","0.0784","","","","1.024","1.056","1.056","","","","","has coordinates,has disorder","179271","2020-10-21","18:00:00","" "4319117","12.3249","0.0005","22.6703","0.0013","16.2777","0.0009","90","","93.521","0.003","90","","4539.6","0.4","173","2","173","2","","","","","","","J. Schneider / Prof. W. Tolman","7","P 1 21/c 1","-P 2ybc","14","97320bbbb_57","","","- C45 H48 B2 Cu F6 N6 Sb -","- C45 H48 B2 Cu F6 N6 Sb -","- C180 H192 B8 Cu4 F24 N24 Sb4 -","4","1","","Jamie L. Schneider; Victor G. Young; William B. Tolman","Copper(I) Chemistry of Bis(pyrazolyl)diphenylborate Ligands: Formation of a Heterocycle by Cu-Mediated Acetonitrile Addition","Inorganic Chemistry","2001","40","","165","168","10.1021/ic000637j","","","0.71073","MoKα","","0.1312","0.0765","","0.2056","0.1783","","","","1.006","1.143","1.143","","","","","has coordinates","179271","2020-10-21","18:00:00","" "4319118","12.9617","0.001","35.929","0.003","14.1137","0.0011","90","","93.619","0.002","90","","6559.7","0.9","173","2","173","2","","","","","","","J. Schneider / Prof. W. Tolman","8","P 1 21/n 1","-P 2yn","14","99114","","","- C61 H66 B3 Cl2 Cu2 F6 N10 Sb -","- C61 H66 B3 Cl2 Cu2 F6 N10 Sb -","- C244 H264 B12 Cl8 Cu8 F24 N40 Sb4 -","4","1","","Jamie L. Schneider; Victor G. Young; William B. Tolman","Copper(I) Chemistry of Bis(pyrazolyl)diphenylborate Ligands: Formation of a Heterocycle by Cu-Mediated Acetonitrile Addition","Inorganic Chemistry","2001","40","","165","168","10.1021/ic000637j","","","0.71073","MoKα","","0.12","0.0607","","0.1668","0.1469","","","","0.966","1.179","1.179","","","","","has coordinates,has disorder","179271","2020-10-21","18:00:00","" "4319119","30.6484","0.0004","14.9946","0.0002","19.1708","0.0001","90","","90","","90","","8810.14","0.17","296","2","296","2","","","","","","","","7","P n m a","-P 2ac 2n","62","","","","- As2 H60 K10.94 Mn3 Na1.06 O96 W18 -","- As2 K10.94 Mn3 Na1.06 O88 W18 -","- As8 K43.76 Mn12 Na4.24 O352 W72 -","4","0.5","","Pierre Mialane; Jérôme Marrot; Eric Rivière; Jérôme Nebout; Gilbert Hervé","Structural Characterization and Magnetic Properties of Sandwich-Type Tungstoarsenate Complexes. Study of a Mixed-Valent VIV2/VV Heteropolyanion","Inorganic Chemistry","2001","40","","44","48","10.1021/ic000641v","","","0.71073","MoKα","","0.0745","0.0405","","","0.0805","0.0926","","","","","","1.062","","","","has coordinates","176467","2020-10-21","18:00:00","" "4319120","14.124","0.002","23.294","0.003","32.247","0.003","90","","98.935","0.01","90","","10481","2","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- As2 Co3 H73.5 Na8 O103 W18 -","- As2 Co3 Na8 O103 W18 -","- As8 Co12 Na32 O412 W72 -","4","0.5","","Pierre Mialane; Jérôme Marrot; Eric Rivière; Jérôme Nebout; Gilbert Hervé","Structural Characterization and Magnetic Properties of Sandwich-Type Tungstoarsenate Complexes. Study of a Mixed-Valent VIV2/VV Heteropolyanion","Inorganic Chemistry","2001","40","","44","48","10.1021/ic000641v","","","0.71073","MoKα","","0.0904","0.0732","","","0.196","0.2109","","","","","","1.014","","","","has coordinates","176467","2020-10-21","18:00:00","" "4319121","30.624","0.0005","14.9861","0.0002","19.2651","0.0003","90","","90","","90","","8841.4","0.2","296","2","296","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- As2 H46 K11 O92 V3 W18 -","- As2 K11 O92 V3 W18 -","- As8 K44 O368 V12 W72 -","4","0.5","","Pierre Mialane; Jérôme Marrot; Eric Rivière; Jérôme Nebout; Gilbert Hervé","Structural Characterization and Magnetic Properties of Sandwich-Type Tungstoarsenate Complexes. Study of a Mixed-Valent VIV2/VV Heteropolyanion","Inorganic Chemistry","2001","40","","44","48","10.1021/ic000641v","","","0.71073","MoKα","","0.0741","0.0469","","","0.0993","0.1097","","","","","","1.101","","","","has coordinates","176467","2020-10-21","18:00:00","" "4319122","30.2359","0.0003","14.9889","0.0002","19.1354","0.0003","90","","90","","90","","8672.2","0.2","296","2","296","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- Cu3 K12 O90 Sb2 W18 -","- Cu3 K12 O90 Sb2 W18 -","- Cu12 K48 O360 Sb8 W72 -","4","0.5","","Pierre Mialane; Jérôme Marrot; Eric Rivière; Jérôme Nebout; Gilbert Hervé","Structural Characterization and Magnetic Properties of Sandwich-Type Tungstoarsenate Complexes. Study of a Mixed-Valent VIV2/VV Heteropolyanion","Inorganic Chemistry","2001","40","","44","48","10.1021/ic000641v","","","0.71073","MoKα","","0.0798","0.0525","","","0.137","0.1522","","","","","","1.022","","","","has coordinates","179271","2020-10-21","18:00:00","" "4319123","32.4702","0.0002","9.453","0.0001","30.3331","0.0002","90","","90","","90","","9310.47","0.13","293","2","293","2","","","","","","","synthesized by the authors, see text","7","P c a 21","P 2c -2ac","29","","","","- C49.5 H42 Cl3 N4 O2 P2 Re -","- C49.5 H41 Cl3 N4 O2 P2 Re -","- C396 H328 Cl24 N32 O16 P16 Re8 -","8","2","","Sébastien Fortin; André L. Beauchamp","Preparations, Characterizations, and Structures of (Biimidazole)dihalobis(triphenylphosphine)rhenium(III) Salts: Strong Ion-Pairing and Acid-Base Properties","Inorganic Chemistry","2001","40","","105","112","10.1021/ic0006807","","","1.54178","CuKα","","0.1086","0.0823","","0.2085","","0.1954","","","1.008","","","1.013","","","","has coordinates","176467","2020-10-21","18:00:00","" "4319124","10.41","0.002","12.151","0.002","18.898","0.005","82.277","0.014","76.19","0.02","82.23","0.013","2287","0.9","293","2","293","2","","","","","","","synthesized by the authors, see text","7","P -1","-P 1","2","","","","- C44 H41 Cl6 N4 O P2 Re -","- C44 H41 Cl6 N4 O P2 Re -","- C88 H82 Cl12 N8 O2 P4 Re2 -","2","1","","Sébastien Fortin; André L. Beauchamp","Preparations, Characterizations, and Structures of (Biimidazole)dihalobis(triphenylphosphine)rhenium(III) Salts: Strong Ion-Pairing and Acid-Base Properties","Inorganic Chemistry","2001","40","","105","112","10.1021/ic0006807","","","1.54056","CuKα","","0.0382","0.0345","","0.0937","","0.092","","","1.043","","","1.075","","","","has coordinates","179271","2020-10-21","18:00:00","" "4319125","9.3423","0.0018","35.955","0.016","12.825","0.005","90","","104.28","0.02","90","","4175","3","293","2","293","2","","","","","","","synthesized by the authors, see text","7","P 1 21/c 1","-P 2ybc","14","","","","- C42 H38 Br3 N4 O P2 Re -","- C42 H38 Br3 N4 O P2 Re -","- C168 H152 Br12 N16 O4 P8 Re4 -","4","1","","Sébastien Fortin; André L. Beauchamp","Preparations, Characterizations, and Structures of (Biimidazole)dihalobis(triphenylphosphine)rhenium(III) Salts: Strong Ion-Pairing and Acid-Base Properties","Inorganic Chemistry","2001","40","","105","112","10.1021/ic0006807","","","1.54056","CuKα","","0.0595","0.0398","","0.1009","","0.0965","","","0.857","","","0.999","","","","has coordinates","179271","2020-10-21","18:00:00","" "4319126","10.479","0.004","25.791","0.013","20.335","0.008","90","","108.45","0.04","90","","5213","4","223","2","223","2","","","","","","","synthesized by the authors, see text","7","P 1 21/c 1","-P 2ybc","14","","","","- C44.5 H38.5 Cl7.5 I3 N4 P2 Re -","- C44.5 H38.5 Cl7.5 I3 N4 P2 Re -","- C178 H154 Cl30 I12 N16 P8 Re4 -","4","1","","Sébastien Fortin; André L. Beauchamp","Preparations, Characterizations, and Structures of (Biimidazole)dihalobis(triphenylphosphine)rhenium(III) Salts: Strong Ion-Pairing and Acid-Base Properties","Inorganic Chemistry","2001","40","","105","112","10.1021/ic0006807","","","1.54056","CuKα","","0.1442","0.0591","","0.129","","0.1061","","","0.698","","","0.938","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00","" "4319127","6.7106","0.0006","6.7106","0.0006","26.797","0.004","90","","90","","90","","1206.7","0.2","293","2","293","2","","","","","","","","3","I 41 2 2","I 4bw 2bw","98","","","","- Sb8 Ti1.13 Zr3.88 -","- Sb8 Ti1.13 Zr3.87 -","- Sb32 Ti4.52 Zr15.48 -","4","0.25","","Holger Kleinke","A Three-Dimensional Extended Sb Network in the Metallic Antimonides (M',Ti)5Sb8 (M' = Zr, Hf, Nb, Mo)","Inorganic Chemistry","2001","40","","95","100","10.1021/ic000767s","","","0.71073","MoKα","","0.0942","0.0462","","0.1198","0.1063","","","","0.91","1.069","1.069","","","","","has coordinates","179271","2020-10-21","18:00:00","" "4319128","6.5449","0.0003","6.5449","0.0003","26.624","0.002","90","","90","","90","","1140.46","0.11","293","2","293","2","","","","","","","","3","I 41 2 2","I 4bw 2bw","98","","","","- Sb8 Ti3.9 Zr1.1 -","- Sb8 Ti3.9 Zr1.1 -","- Sb32 Ti15.6 Zr4.4 -","4","0.25","","Holger Kleinke","A Three-Dimensional Extended Sb Network in the Metallic Antimonides (M',Ti)5Sb8 (M' = Zr, Hf, Nb, Mo)","Inorganic Chemistry","2001","40","","95","100","10.1021/ic000767s","","","0.71073","MoKα","","0.0437","0.0295","","0.0681","0.0663","","","","0.858","0.991","0.991","","","","","has coordinates","176467","2020-10-21","18:00:00","" "4319129","6.6506","0.0006","6.6506","0.0006","26.68","0.004","90","","90","","90","","1180.1","0.2","293","2","293","2","","","","","","","","3","I 41 2 2","I 4bw 2bw","98","","","","- Sb8 Ti2.38 Zr2.63 -","- Sb8 Ti2.37 Zr2.63 -","- Sb32 Ti9.48 Zr10.52 -","4","0.25","","Holger Kleinke","A Three-Dimensional Extended Sb Network in the Metallic Antimonides (M',Ti)5Sb8 (M' = Zr, Hf, Nb, Mo)","Inorganic Chemistry","2001","40","","95","100","10.1021/ic000767s","","","0.71073","MoKα","","0.0847","0.0482","","0.1163","0.1077","","","","0.757","0.95","0.95","","","","","has coordinates","179271","2020-10-21","18:00:00","" "4319130","6.6137","0.0007","6.6137","0.0007","26.85","0.005","90","","90","","90","","1174.4","0.3","293","2","293","2","","","","","","","","3","I 41 2 2","I 4bw 2bw","98","","","","- Hf2.58 Sb8 Ti2.42 -","- Hf2.608 Sb8 Ti2.392 -","- Hf10.432 Sb32 Ti9.568 -","4","0.25","","Holger Kleinke","A Three-Dimensional Extended Sb Network in the Metallic Antimonides (M',Ti)5Sb8 (M' = Zr, Hf, Nb, Mo)","Inorganic Chemistry","2001","40","","95","100","10.1021/ic000767s","","","0.71073","MoKα","","0.1119","0.0291","","0.0463","0.0365","","","","0.485","0.655","0.655","","","","","has coordinates","179271","2020-10-21","18:00:00","" "4319131","8.7978","0.0009","9.0493","0.0014","20.303","0.002","90","","98.049","0.007","90","","1600.5","0.3","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C30 H24 Cl2 Co N6 O11 -","- C30 H22 Cl2 Co N6 O11 -","- C60 H44 Cl4 Co2 N12 O22 -","2","1","","Ana B. Gaspar; M. Carmen Muñoz; Virginie Niel; José Antonio Real","[CoII(4-terpyridone)2]X2: A Novel Cobalt(II) Spin Crossover System [4-Terpyridone = 2,6-Bis(2-pyridyl)-4(1H)-pyridone]","Inorganic Chemistry","2001","40","","9","10","10.1021/ic000788m","","","0.71073","MoKα","","0.0629","0.0468","","0.1516","0.1257","","","","1.06","1.101","1.101","","","","","has coordinates","179271","2020-10-21","18:00:00","" "4319132","7.6294","0.0004","12.2524","0.0006","12.8379","0.0007","73.012","0.001","81.869","0.001","79.755","0.001","1124.29","0.1","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C19 H26 O2 P S3 Tc -","- C19 H26 O2 P S3 Tc -","- C38 H52 O4 P2 S6 Tc2 -","2","1","","Hans-Jürgen Pietzsch; Francesco Tisato; Fiorenzo Refosco; Peter Leibnitz; Antje Drews; Sepp Seifert; Hartmut Spies","Synthesis and Characterization of Novel Trigonal Bipyramidal Technetium(III) Mixed-Ligand Complexes with SES/S/P Coordination (E = O, N(CH3), S)","Inorganic Chemistry","2001","40","","59","64","10.1021/ic000828m","","","0.71073","MoKα","","0.0302","0.0297","","","0.0874","0.0879","","","","","","1.139","","","","has coordinates","179271","2020-10-21","18:00:00","" "4319133","8.3869","0.0004","11.1578","0.0006","12.3806","0.0006","95.496","0.001","99.376","0.001","92.235","0.001","1136.08","0.1","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C19 H26 O P S4 Tc -","- C19 H26 O P S4 Tc -","- C38 H52 O2 P2 S8 Tc2 -","2","1","","Hans-Jürgen Pietzsch; Francesco Tisato; Fiorenzo Refosco; Peter Leibnitz; Antje Drews; Sepp Seifert; Hartmut Spies","Synthesis and Characterization of Novel Trigonal Bipyramidal Technetium(III) Mixed-Ligand Complexes with SES/S/P Coordination (E = O, N(CH3), S)","Inorganic Chemistry","2001","40","","59","64","10.1021/ic000828m","","","0.71073","MoKα","","0.03","0.028","","0.0885","0.0855","","","","0.748","0.746","0.746","","","","","has coordinates,has disorder","179271","2020-10-21","18:00:00","" "4319134","13.3054","0.0005","9.4678","0.0004","18.7909","0.0007","90","","100.708","0.001","90","","2325.92","0.16","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C20 H29 N O P S3 Tc -","- C20 H29 N O P S3 Tc -","- C80 H116 N4 O4 P4 S12 Tc4 -","4","1","","Hans-Jürgen Pietzsch; Francesco Tisato; Fiorenzo Refosco; Peter Leibnitz; Antje Drews; Sepp Seifert; Hartmut Spies","Synthesis and Characterization of Novel Trigonal Bipyramidal Technetium(III) Mixed-Ligand Complexes with SES/S/P Coordination (E = O, N(CH3), S)","Inorganic Chemistry","2001","40","","59","64","10.1021/ic000828m","","","0.71073","MoKα","","0.0257","0.0238","","0.0665","0.0594","","","","1.064","1.073","1.073","","","","","has coordinates,has disorder","179271","2020-10-21","18:00:00","" "4319135","8.11","0.002","11.134","0.002","12.342","0.002","68.34","0.01","86.55","0.01","79.98","0.01","1019.9","0.4","30","1","30","1","","","","","","","","4","P -1","-P 1","2","","","","- C16 H31 B9 N2 -","- C16 H31 B9 N2 -","- C32 H62 B18 N4 -","2","1","","Mark A. Fox; Andrés E. Goeta; Judith A. K. Howard; Andrew K. Hughes; Andrew L. Johnson; Dave A. Keen; Ken Wade; Chick C. Wilson","The Molecular Structure of (PSH^+^)(nido-7,8-C~2~B~9~H~12~^-^) Determined by Neutron Diffraction (PS = Proton Sponge, 1,8-Bis(dimethylamino)naphthalene)","Inorganic Chemistry","2001","40","","173","175","10.1021/ic000961e","","neutron","","neutron","","0.0982","0.0982","","","0.2372","0.2372","","","","","","1.1","","","","has coordinates","179271","2020-10-21","18:00:00","" "4319136","8.129","0.001","11.251","0.002","12.392","0.002","68.524","0.005","86.359","0.007","79.712","0.008","1037.7","0.3","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C16 H31 B9 N2 -","- C16 H31 B9 N2 -","- C32 H62 B18 N4 -","2","1","","Mark A. Fox; Andrés E. Goeta; Judith A. K. Howard; Andrew K. Hughes; Andrew L. Johnson; Dave A. Keen; Ken Wade; Chick C. Wilson","The Molecular Structure of (PSH^+^)(nido-7,8-C~2~B~9~H~12~^-^) Determined by Neutron Diffraction (PS = Proton Sponge, 1,8-Bis(dimethylamino)naphthalene)","Inorganic Chemistry","2001","40","","173","175","10.1021/ic000961e","","","0.71073","MoKα","","0.0811","0.0561","","","0.1178","0.1284","","","","","","1.092","","","","has coordinates","179271","2020-10-21","18:00:00","" "4319137","13.84","0.003","15.587","0.004","19.37","0.003","94.86","0.02","93.1","0.01","91.05","0.02","4156.4","1.5","296.2","","296.2","","","","","","","","","6","P -1","-P 1","2","","","","- C48 H108 Mo12 N3 O40 S -","- C48 Mo12 N3 O40 S -","- C96 Mo24 N6 O80 S2 -","2","1","","Truc Vu; Alan M. Bond; David C. R. Hockless; Boujemaa Moubaraki; Keith S. Murray; Georgii Lazarev; Anthony G. Wedd","Electrochemical Synthesis and Structural and Physical Characterization of One- and Two-Electron-Reduced Forms of [SMo12O40]2-","Inorganic Chemistry","2001","40","","65","72","10.1021/ic991310p","","","1.5418","CuKα","","","0.0639","","","","0.0642","","","","","","2.684","","","","has coordinates","176467","2020-10-21","18:00:00","" "4319138","15.506","0.002","15.506","0.002","15.506","0.002","90","","90","","90","","3728.2","0.8","293","2","293","2","","","","","","","","8","P 41 3 2","P 4bd 2ab 3","213","","","","- C36 H24 Cl Cr Mn N6 O16 Ru -","- C36 H24 Cl Cr Mn N6 O16 Ru -","- C144 H96 Cl4 Cr4 Mn4 N24 O64 Ru4 -","4","0.166667","","E. Coronado; J. R. Galán-Mascarós; C. J. Gómez-García; J. M. Martínez-Agudo","Molecule-Based Magnets Formed by Bimetallic Three-Dimensional Oxalate Networks and Chiral Tris(bipyridyl) Complex Cations. The Series [ZII(bpy)3][ClO4][MIICrIII(ox)3] (ZII= Ru, Fe, Co, and Ni; MII= Mn, Fe, Co, Ni, Cu, and Zn; ox = Oxalate Dianion)","Inorganic Chemistry","2001","40","","113","120","10.1021/ic0008870","","","0.71069","MoKα","","0.0692","0.0263","","","0.0642","0.2123","","","","","","1.072","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00","" "4319139","5.778","0.002","22.61","0.03","9.061","0.004","90","0","95.37","0.06","90","0","1178.5","1.7","298","","298","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C4 H12 Cl4 N2 Pb -","- C4 H12 Cl4 N2 Pb -","- C16 H48 Cl16 N8 Pb4 -","4","1","","Anna Bonamartini Corradi; Anna Maria Ferrari; Lara Righi; Paolo Sgarabotto","An Additional Structural and Electrical Study of Polymeric Haloplumbates(II) with Heterocyclic Diprotonated Amines","Inorganic Chemistry","2001","40","","218","223","10.1021/ic000319k","","","0.71069","X","","","0.052","","","","0.054","","","","","","","","","","has coordinates","192276","2020-10-21","18:00:00","" "4319140","6.101","0.002","18.822","0.003","6.229","0.002","90","0","98.6","0.1","90","0","707.3","0.4","298","","298","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C6 H16 Br4 N2 Pb -","- Br4 Pb -","- Br8 Pb2 -","2","1","","Anna Bonamartini Corradi; Anna Maria Ferrari; Lara Righi; Paolo Sgarabotto","An Additional Structural and Electrical Study of Polymeric Haloplumbates(II) with Heterocyclic Diprotonated Amines","Inorganic Chemistry","2001","40","","218","223","10.1021/ic000319k","","","0.71069","X","","","0.029","","","","0.031","","","","","","","","","","has coordinates","192276","2020-10-21","18:00:00","" "4319141","19.054","0.004","12.239","0.003","18.273","0.004","90","0","93.4","0.1","90","0","4253.8","1.7","298","","298","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C12 H40 I10 N4 O4 Pb3 -","- C12 H40 I10 N4 O4 Pb3 -","- C48 H160 I40 N16 O16 Pb12 -","4","1","","Anna Bonamartini Corradi; Anna Maria Ferrari; Lara Righi; Paolo Sgarabotto","An Additional Structural and Electrical Study of Polymeric Haloplumbates(II) with Heterocyclic Diprotonated Amines","Inorganic Chemistry","2001","40","","218","223","10.1021/ic000319k","","","0.71069","X","","","0.054","","","","0.055","","","","","","","","","","has coordinates","192276","2020-10-21","18:00:00","" "4319142","22.38","0.004","9.302","0.002","24.586","0.004","90","0","94.3","0.1","90","0","5103.9","1.8","298","","298","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C33 H58 Br10 N6 O2 Pb2 -","- C33 H58 Br10 N6 O2 Pb2 -","- C132 H232 Br40 N24 O8 Pb8 -","4","1","","Anna Bonamartini Corradi; Anna Maria Ferrari; Lara Righi; Paolo Sgarabotto","An Additional Structural and Electrical Study of Polymeric Haloplumbates(II) with Heterocyclic Diprotonated Amines","Inorganic Chemistry","2001","40","","218","223","10.1021/ic000319k","","","0.71069","X","","","0.03","","","","0.032","","","","","","","","","","has coordinates","192276","2020-10-21","18:00:00","" "4319143","7.1309","0.0006","10.3345","0.0008","10.6899","0.0008","99.975","0.006","99.75","0.007","91.667","0.007","763.28","0.11","203","2","203","2","","","","","","","","5","P -1","-P 1","2","","","","- C7 H21 Cl O7 Te2 -","- C7 H21 Cl O7 Te2 -","- C14 H42 Cl2 O14 Te4 -","2","1","","Holger Fleischer; Dieter Schollmeyer","Molecular Structure of Te(OMe)4.ClTe(OMe)3, a Model for Ligand Exchange between Te(IV) Centers","Inorganic Chemistry","2001","40","","324","328","10.1021/ic000374t","","","0.71069","MoKα","","0.0743","0.0445","","","0.0985","0.1116","","","","","","1.042","","","","has coordinates","179271","2020-10-21","18:00:00","" "4319144","21.195","0.005","12.2051","0.0008","20.623","0.0004","90","0.0008","109.742","0.005","90","0.002","5021.3","1.2","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- Cs5.29 O58 P12 V10 -","- Cs5.29 O58 P12 V10 -","- Cs21.16 O232 P48 V40 -","4","0.5","","E. Le Fur; B. de Villars; J. Tortelier; Y. Pivan","Hydrothermal Synthesis, Thermal, and Magnetic Data on New Alkaline Vanadium Phosphate My(VO)9+x(PO4)4x(HPO4)12-4x with M = Cs+ (y = 5.29, x = 1) and M = NH4+, Rb+ (y ~ 5, x ~ 1)","Inorganic Chemistry","2001","40","","272","276","10.1021/ic000464y","","","0.71073","MoKα","","0.0824","0.0537","","0.1194","0.1085","","","","1.093","1.17","1.17","","","","","has coordinates","179271","2020-10-21","18:00:00","" "4319145","9.3562","0.0004","9.8046","0.0003","13.1146","0.0005","76.155","0.002","83.421","0.002","73.285","0.002","1117.39","0.07","120","2","120","2","","","","","","","","6","P -1","-P 1","2","PtCl2(C10H12N2O)2","","","- C20 H24 Cl2 N4 O2 Pt -","- C20 H24 Cl2 N4 O2 Pt -","- C40 H48 Cl4 N8 O4 Pt2 -","2","1","","Gabriele Wagner; Matti Haukka; João J. R. Fraústo da Silva; Armando J. L. Pombeiro; Vadim Yu. Kukushkin","[2 + 3] Cycloaddition of Nitrones to Platinum-Bound Organonitriles: Effect of Metal Oxidation State and of Nitrile Substituent","Inorganic Chemistry","2001","40","","264","271","10.1021/ic000477b","","","0.71073","MoKα","","0.0277","0.0232","","","0.0506","0.052","","","","","","1.074","","","","has coordinates","179271","2020-10-21","18:00:00","" "4319146","8.9689","0.0009","9.1365","0.0005","10.1846","0.001","64.328","0.006","72.532","0.004","67.744","0.006","686.82","0.11","120","2","120","2","","","","","","","","6","P -1","-P 1","2","PtCl2(C15H14N2O)2","","","- C30 H28 Cl2 N4 O2 Pt -","- C30 H28 Cl2 N4 O2 Pt -","- C30 H28 Cl2 N4 O2 Pt -","1","0.5","","Gabriele Wagner; Matti Haukka; João J. R. Fraústo da Silva; Armando J. L. Pombeiro; Vadim Yu. Kukushkin","[2 + 3] Cycloaddition of Nitrones to Platinum-Bound Organonitriles: Effect of Metal Oxidation State and of Nitrile Substituent","Inorganic Chemistry","2001","40","","264","271","10.1021/ic000477b","","","0.71073","MoKα","","0.0301","0.0294","","","0.0637","0.0639","","","","","","1.057","","","","has coordinates","179271","2020-10-21","18:00:00","" "4319147","11.6378","0.0002","19.0767","0.0007","11.5782","0.0004","90","","111.062","0.002","90","","2398.76","0.13","120","2","120","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","PtCl2(C11H14N2O)2","","","- C22 H28 Cl2 N4 O2 Pt -","- C22 H28 Cl2 N4 O2 Pt -","- C88 H112 Cl8 N16 O8 Pt4 -","4","1","","Gabriele Wagner; Matti Haukka; João J. R. Fraústo da Silva; Armando J. L. Pombeiro; Vadim Yu. Kukushkin","[2 + 3] Cycloaddition of Nitrones to Platinum-Bound Organonitriles: Effect of Metal Oxidation State and of Nitrile Substituent","Inorganic Chemistry","2001","40","","264","271","10.1021/ic000477b","","","0.71073","MoKα","","0.0525","0.0316","","","0.0605","0.0664","","","","","","1.167","","","","has coordinates","179271","2020-10-21","18:00:00","" "4319148","10.664","0.002","10.879","0.002","14.388","0.003","73.11","0.03","78.3","0.03","88.88","0.03","1562.6","0.6","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C32 H32 Cl2 N4 O2 Pt -","- C32 H32 Cl2 N4 O2 Pt -","- C64 H64 Cl4 N8 O4 Pt2 -","2","1","","Gabriele Wagner; Matti Haukka; João J. R. Fraústo da Silva; Armando J. L. Pombeiro; Vadim Yu. Kukushkin","[2 + 3] Cycloaddition of Nitrones to Platinum-Bound Organonitriles: Effect of Metal Oxidation State and of Nitrile Substituent","Inorganic Chemistry","2001","40","","264","271","10.1021/ic000477b","","","0.71073","MoKα","","0.0511","0.0511","","","0.1208","0.1208","","","","","","1.076","","","","has coordinates","179271","2020-10-21","18:00:00","" "4319149","28.959","0.006","6.627","0.003","20.916","0.004","90","","132.77","0.03","90","","2947","2","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","Cp~2~Mo(dmit)","[2,3-disulfanyl-4,5-dithiole-2-thione][[bis(η^5^cyclopentadienyl)] molybdenum[V]","","- C13 H10 Mo S5 -","- C13 H10 Mo S5 -","- C104 H80 Mo8 S40 -","8","1","","Benoît Domercq; Claude Coulon; Marc Fourmigué","A Density Functional Study of the Highly Adaptable Molecular Structure of Mo(V) and W(V) Dithiolene Complexes: From Three-Dimensional Antiferromagnet to Spin Ladder","Inorganic Chemistry","2001","40","","371","378","10.1021/ic000550y","","","0.71073","MoKα","","0.1754","0.0511","","0.1387","0.1055","","","","0.972","1.111","1.111","","","","","has coordinates","179271","2020-10-21","18:00:00","" "4319150","29.272","0.0013","6.786","0.0005","20.9123","0.0013","90","","132.865","0.009","90","","3044.7","0.5","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","Cp~2~W[dsit]","[2,3-diselenato-4,5-dithiole-2-thione][[bis[h^5^cyclopentadienyl]] tungsten[IV]","","- C13 H10 S3 Se2 W -","- C13 H10 S3 Se2 W -","- C104 H80 S24 Se16 W8 -","8","1","","Benoît Domercq; Claude Coulon; Marc Fourmigué","A Density Functional Study of the Highly Adaptable Molecular Structure of Mo(V) and W(V) Dithiolene Complexes: From Three-Dimensional Antiferromagnet to Spin Ladder","Inorganic Chemistry","2001","40","","371","378","10.1021/ic000550y","","","0.71073","MoKα","","0.073","0.0363","","0.075","0.0682","","","","0.861","0.982","0.982","","","","","has coordinates","179271","2020-10-21","18:00:00","" "4319151","9.0293","0.0018","20.568","0.004","10.264","0.002","90","","90","","90","","1906.2","0.6","293","2","293","2","","","","","","","","6","C m c m","-C 2c 2","63","Cp2W(dmit)AsF6","Bis(cyclopentadienyl)(1,3-dithiole-2-thione-4,5-dithiolato)tungsten(V) hexafluoroarsenate","","- C13 H10 As F6 S5 W -","- C13 H10 As F6 S5 W -","- C52 H40 As4 F24 S20 W4 -","4","0.25","","Benoît Domercq; Claude Coulon; Marc Fourmigué","A Density Functional Study of the Highly Adaptable Molecular Structure of Mo(V) and W(V) Dithiolene Complexes: From Three-Dimensional Antiferromagnet to Spin Ladder","Inorganic Chemistry","2001","40","","371","378","10.1021/ic000550y","","","0.71073","MoKα","","0.0278","0.0207","","","0.0362","0.0375","","","","","","0.985","","","","has coordinates","179271","2020-10-21","18:00:00","" "4319152","9.071","0.002","20.868","0.004","10.243","0.002","90","","90","","90","","1938.9","0.7","293","2","293","2","","","","","","","","7","C m c m","-C 2c 2","63","Cp2Mo(dsit),AsF6","Bis(cyclopentadienyl)(4,5-diselenato-1,3-dithiole-2-thione)molybdenum(V) hexafluorophosphate","","- C13 H10 As F6 Mo S3 Se2 -","- C13 H10 As F6 Mo S3 Se2 -","- C52 H40 As4 F24 Mo4 S12 Se8 -","4","0.25","","Benoît Domercq; Claude Coulon; Marc Fourmigué","A Density Functional Study of the Highly Adaptable Molecular Structure of Mo(V) and W(V) Dithiolene Complexes: From Three-Dimensional Antiferromagnet to Spin Ladder","Inorganic Chemistry","2001","40","","371","378","10.1021/ic000550y","","","0.71073","MoKα","","0.1204","0.0333","","0.072","0.0576","","","","1.018","1.152","1.152","","","","","has coordinates","179271","2020-10-21","18:00:00","" "4319153","6.8442","0.0007","15.9923","0.0013","17.6594","0.0016","90","","90.934","0.011","90","","1932.6","0.3","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","Cp~2~W(dsit), AsF~6~","[2,3-diselenato-4,5-dithiole-2-thione]bis[h-cyclopentadienyl] tungsten[V], hexafluoroarsenate","","- C13 H10 As F6 S3 Se2 W -","- C13 H10 As F6 S3 Se2 W -","- C52 H40 As4 F24 S12 Se8 W4 -","4","1","","Benoît Domercq; Claude Coulon; Marc Fourmigué","A Density Functional Study of the Highly Adaptable Molecular Structure of Mo(V) and W(V) Dithiolene Complexes: From Three-Dimensional Antiferromagnet to Spin Ladder","Inorganic Chemistry","2001","40","","371","378","10.1021/ic000550y","","","0.71073","MoKα","","0.0405","0.0245","","","0.0416","0.0437","","","","","","0.873","","","","has coordinates","179271","2020-10-21","18:00:00","" "4319154","18.682","0.0048","11.6855","0.0029","14.9353","0.0042","90","","93.336","0.0085","90","","3255","1.5","296","","296","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C44 H28 N6 -","- C176 H112 N24 -","- C176 H112 N24 -","","","","Tohru Wada; Kiyoshi Tsuge; Koji Tanaka","Syntheses and Redox Properties of Bis(hydroxoruthenium) Complexes with Quinone and Bipyridine Ligands. Water-Oxidation Catalysis","Inorganic Chemistry","2001","40","","329","337","10.1021/ic000552i","","","0.7107","MoKalpha","","","0.118","","","0.073","","","","","3.32","3.32","","","","","has coordinates","192778","2020-10-21","18:00:00","" "4319155","10.034","0.002","10.737","0.002","20.357","0.004","89.38","0.03","87.79","0.03","80.22","0.03","2159.7","0.8","293","2","293","2","","","","","","","laboratory synthesis","7","P -1","-P 1","2","","","","- C45 H39 Cl4 N3 O P2 Re -","- C45 H39 Cl4 N3 O P2 Re -","- C90 H78 Cl8 N6 O2 P4 Re2 -","2","1","","Sibaprasad Bhattacharyya; Indranil Chakraborty; Bimal Kumar Dirghangi; Animesh Chakravorty","Oxygen Atom Transfer from Nitrogenous ReVO Reagents to Diphosphines and Subsequent Transformations. Rhenium(III) Products and Reaction Models","Inorganic Chemistry","2001","40","","286","293","10.1021/ic0005893","","","0.71073","MoKα","","0.0421","0.0303","","0.082","0.069","","","","1.044","1.037","1.037","","","","","has coordinates","211332","2020-10-21","18:00:00","" "4319156","11.695","0.006","17.745","0.007","15.459","0.009","90","","100.94","0.05","90","","3150","3","293","2","293","2","","","","","","","laboratoy synthesis","6","P 1 21/n 1","-P 2yn","14","","","","- C30 H25 Cl6 N3 P Re -","- C30 H25 Cl6 N3 P Re -","- C120 H100 Cl24 N12 P4 Re4 -","4","1","","Sibaprasad Bhattacharyya; Indranil Chakraborty; Bimal Kumar Dirghangi; Animesh Chakravorty","Oxygen Atom Transfer from Nitrogenous ReVO Reagents to Diphosphines and Subsequent Transformations. Rhenium(III) Products and Reaction Models","Inorganic Chemistry","2001","40","","286","293","10.1021/ic0005893","","","0.71073","MoKα","","0.0898","0.0585","","0.1656","0.1403","","","","1.04","1.063","1.063","","","","","has coordinates","179271","2020-10-21","18:00:00","" "4319157","19.767","0.012","12.868","0.006","22.205","0.017","90","","101.76","0.06","90","","5530","6","293","2","293","2","","","","","","","laboratoy synthesis","7","C 1 2/c 1","-C 2yc","15","","","","- C52 H48 Cl6 N4 O2 P2 Re2 -","- C52 H48 Cl6 N4 O2 P2 Re2 -","- C208 H192 Cl24 N16 O8 P8 Re8 -","4","0.5","","Sibaprasad Bhattacharyya; Indranil Chakraborty; Bimal Kumar Dirghangi; Animesh Chakravorty","Oxygen Atom Transfer from Nitrogenous ReVO Reagents to Diphosphines and Subsequent Transformations. Rhenium(III) Products and Reaction Models","Inorganic Chemistry","2001","40","","286","293","10.1021/ic0005893","","","0.71073","MoKα","","0.1416","0.0635","","0.1392","0.1112","","","","1.032","1.112","1.112","","","","","has coordinates","179271","2020-10-21","18:00:00","" "4319158","16.866","0.006","12.583","0.006","34.778","0.023","90","","99.22","0.04","90","","7285","7","293","2","293","2","","","","","","","laboratory synthesis","7","I 1 2/a 1","-I 2ya","15","","","","- C36 H30 Cl4 N3 O2 P2 Re -","- C36 H30 Cl4 N3 O2 P2 Re -","- C288 H240 Cl32 N24 O16 P16 Re8 -","8","1","","Sibaprasad Bhattacharyya; Indranil Chakraborty; Bimal Kumar Dirghangi; Animesh Chakravorty","Oxygen Atom Transfer from Nitrogenous ReVO Reagents to Diphosphines and Subsequent Transformations. Rhenium(III) Products and Reaction Models","Inorganic Chemistry","2001","40","","286","293","10.1021/ic0005893","","","0.71073","MoKα","","0.1186","0.0571","","0.1375","0.1019","","","","1.023","1.007","1.007","","","","","has coordinates","211332","2020-10-21","18:00:00","" "4319159","13.669","0.002","28.704","0.005","15.024","0.003","90","","115.72","0.01","90","","5310.7","1.7","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C56 H49 N8 O16.5 Zn4 -","- C56 H40 N8 O16.5 Zn4 -","- C224 H160 N32 O66 Zn16 -","4","0.5","","Andrea Erxleben","Mono- and Dinuclear Zinc Complexes Derived from Unsymmetric Binucleating Ligands: Synthesis, Characterization, and Formation of Tetranuclear Arrays","Inorganic Chemistry","2001","40","","208","213","10.1021/ic000600z","","","0.71069","MoKα","","0.1247","0.0407","","0.0951","0.077","","","","0.886","1.101","1.101","","","","","has coordinates","211332","2020-10-21","18:00:00","" "4319160","6.696","0.001","12.867","0.003","18.482","0.004","90","","92.05","0.03","90","","1591.3","0.6","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H38 N6 O16 Zn2 -","- C24 H34 N6 O16 Zn2 -","- C48 H68 N12 O32 Zn4 -","2","0.5","","Andrea Erxleben","Mono- and Dinuclear Zinc Complexes Derived from Unsymmetric Binucleating Ligands: Synthesis, Characterization, and Formation of Tetranuclear Arrays","Inorganic Chemistry","2001","40","","208","213","10.1021/ic000600z","","","0.71069","MoKα","","0.055","0.0329","","0.1306","0.0853","","","","0.992","1.102","1.102","","","","","has coordinates","192782","2020-10-21","18:00:00","" "4319161","7.002","0.002","9.2","0.001","14.309","0.001","92.27","0.01","98.56","0.01","97.79","0.01","901.4","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H48 N4 O16 Zn2 -","- C28 H40 N4 O16 Zn2 -","- C28 H40 N4 O16 Zn2 -","1","0.5","","Andrea Erxleben","Mono- and Dinuclear Zinc Complexes Derived from Unsymmetric Binucleating Ligands: Synthesis, Characterization, and Formation of Tetranuclear Arrays","Inorganic Chemistry","2001","40","","208","213","10.1021/ic000600z","","","0.71069","MoKα","","0.0531","0.0366","","0.0881","0.0833","","","","0.96","1.078","1.078","","","","","has coordinates","211332","2020-10-21","18:00:00","" "4319162","8.125","0.001","8.498","0.001","12.051","0.001","96.23","0.01","97.22","0.01","106.69","0.01","781.49","0.16","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H13 N3 O7 Zn -","- C14 H13 N3 O7 Zn -","- C28 H26 N6 O14 Zn2 -","2","1","","Andrea Erxleben","Mono- and Dinuclear Zinc Complexes Derived from Unsymmetric Binucleating Ligands: Synthesis, Characterization, and Formation of Tetranuclear Arrays","Inorganic Chemistry","2001","40","","208","213","10.1021/ic000600z","","","0.71069","MoKα","","0.0456","0.0337","","0.093","0.085","","","","1.051","1.103","1.103","","","","","has coordinates","192782","2020-10-21","18:00:00","" "4319163","44.954","0.002","11.656","0.003","22.943","0.002","90","","93.14","0.02","90","","12004","3","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C48 H69 N8 O18.5 Zn4 -","- C48 H56 N8 O18.5 Zn4 -","- C384 H448 N64 O148 Zn32 -","8","1","","Andrea Erxleben","Mono- and Dinuclear Zinc Complexes Derived from Unsymmetric Binucleating Ligands: Synthesis, Characterization, and Formation of Tetranuclear Arrays","Inorganic Chemistry","2001","40","","208","213","10.1021/ic000600z","","","0.71069","MoKα","","0.1685","0.0826","","0.2524","0.2188","","","","0.961","1.319","1.319","","","","","has coordinates","192782","2020-10-21","18:00:00","" "4319164","35.447","0.006","19.47","0.002","14.284","0.002","90","","101.36","0.02","90","","9665","2","213","2","213","2","","","","","","","","9","C 1 2/c 1","-C 2yc","15","[Et4N][(Cl4cat)2Mo2Fe6S8(Pet3)6].3CH3CN","","","- C62 H119 Cl8 Fe6 Mo2 N4 O4 P6 S8 -","- C62 H119 Cl8 Fe6 Mo2 N4 O4 P6 S8 -","- C248 H476 Cl32 Fe24 Mo8 N16 O16 P24 S32 -","4","0.5","","Frank Osterloh; Catalina Achim; R. H. Holm","Molybdenum-Iron-Sulfur Clusters of Nuclearities Eight and Sixteen, Including a Topological Analogue of the P-Cluster of Nitrogenase","Inorganic Chemistry","2001","40","","224","232","10.1021/ic000617h","","","0.71073","MoKα","","0.1276","0.0599","","","0.1668","0.2047","","","","","","1.013","","","","has coordinates,has disorder","194045","2020-10-21","18:00:00","" "4319165","15.8681","0.0003","24.7648","0.0003","23.724","0.0004","90","","109.464","0.001","90","","8790","0.3","213","2","213","2","","","","","","","","9","P 1 21/n 1","-P 2yn","14","Et4N[(Cl4cat)2Mo2Fe6S8(PEt3)6]","","","- C56 H110 Cl8 Fe6 Mo2 N O4 P6 S8 -","- C56 H110 Cl8 Fe6 Mo2 N O4 P6 S8 -","- C224 H440 Cl32 Fe24 Mo8 N4 O16 P24 S32 -","4","1","","Frank Osterloh; Catalina Achim; R. H. Holm","Molybdenum-Iron-Sulfur Clusters of Nuclearities Eight and Sixteen, Including a Topological Analogue of the P-Cluster of Nitrogenase","Inorganic Chemistry","2001","40","","224","232","10.1021/ic000617h","","","0.71073","MoKα","","0.0999","0.047","","","0.0965","0.1143","","","","","","0.987","","","","has coordinates,has disorder","194045","2020-10-21","18:00:00","" "4319166","19.644","0.004","20.548","0.004","51.4","0.01","90","","91.33","0.03","90","","20742","7","213","2","213","2","","","","","","","","10","P 1 21/n 1","-P 2yn","14","[Ph3PMe]5[(Cl4cat)4(Et3P)4(DMF)K3Mo4Fe12S20].4.5DMF.0.5Et2O","","","- C161.5 H193.5 Cl16 Fe12 K3 Mo4 N5.5 O14 P9 S20 -","- C161.502 H193.5 Cl16 Fe12 K3 Mo4 N5.5 O14 P9 S20 -","- C646.008 H774 Cl64 Fe48 K12 Mo16 N22 O56 P36 S80 -","4","1","","Frank Osterloh; Catalina Achim; R. H. Holm","Molybdenum-Iron-Sulfur Clusters of Nuclearities Eight and Sixteen, Including a Topological Analogue of the P-Cluster of Nitrogenase","Inorganic Chemistry","2001","40","","224","232","10.1021/ic000617h","","","0.71073","MoKα","","0.1055","0.0573","","","0.1282","0.1446","","","","","","1.01","","","","has coordinates,has disorder","194045","2020-10-21","18:00:00","" "4319167","13.31","0.003","23.69","0.005","31.33","0.006","102.81","0.03","98.81","0.03","92.83","0.03","9484","4","213","2","213","2","","","","","","","","9","P -1","-P 1","2","[Et4N]4[(Cl4cat)2Mo2Fe6S8(PEt3)6][(Cl4cat)2Mo2Fe6S8(PEt3)6]3.2Et2O.2MeCN","","","- C232 H456 Cl32 Fe24 Mo8 N6 O17 P24 S32 -","- C232 H456 Cl32 Fe24 Mo8 N6 O17 P24 S32 -","- C232 H456 Cl32 Fe24 Mo8 N6 O17 P24 S32 -","1","0.5","","Frank Osterloh; Catalina Achim; R. H. Holm","Molybdenum-Iron-Sulfur Clusters of Nuclearities Eight and Sixteen, Including a Topological Analogue of the P-Cluster of Nitrogenase","Inorganic Chemistry","2001","40","","224","232","10.1021/ic000617h","","","0.71073","MoKα","","0.1306","0.0674","","","0.1509","0.1902","","","","","","1.046","","","","has coordinates","194045","2020-10-21","18:00:00","" "4319168","12.7237","0.0011","14.0108","0.0013","16.205","0.0014","110.351","0.0016","111.538","0.002","97.3496","0.0017","2408.8","0.4","193","2","193","2","","","","","","","","7","P -1","-P 1","2","","","","- C88 H120 Al2 N8 Na2 O21 S4 -","- C88 H120 Al2 N8 Na2 O21 S4 -","- C88 H120 Al2 N8 Na2 O21 S4 -","1","0.5","","Pierre Blais; Justin K. Brask; Tristram Chivers; Gabriele Schatte","Tetraaza Analogues of Lithium and Sodium Alums: Synthesis and X-ray Structures of the Single Strand Polymer [Li(THF)2{Al[SO2(NtBu)2]2}]∞and the Contact Ion Pairs [Na(15-crown-5)][Al{SO2(NtBu)2}2] and {[Na(15-crown-5)][O2S(μ-NBn)2Al(μ-NBnSO2NBn)]}2","Inorganic Chemistry","2001","40","","384","388","10.1021/ic0006549","","","0.71073","MoKα","","0.0864","0.0527","","","0.133","0.1482","","","","","","0.992","","","","has coordinates,has disorder","179271","2020-10-21","18:00:00","" "4319169","16.031","0.002","9.9074","0.0014","23.963","0.004","90","","103.326","0.002","90","","3703.5","0.9","193","2","193","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C26 H56 Al N4 Na O9 S2 -","- C26 H56 Al N4 Na O9 S2 -","- C104 H224 Al4 N16 Na4 O36 S8 -","4","1","","Pierre Blais; Justin K. Brask; Tristram Chivers; Gabriele Schatte","Tetraaza Analogues of Lithium and Sodium Alums: Synthesis and X-ray Structures of the Single Strand Polymer [Li(THF)2{Al[SO2(NtBu)2]2}]∞and the Contact Ion Pairs [Na(15-crown-5)][Al{SO2(NtBu)2}2] and {[Na(15-crown-5)][O2S(μ-NBn)2Al(μ-NBnSO2NBn)]}2","Inorganic Chemistry","2001","40","","384","388","10.1021/ic0006549","","","0.71073","MoKα","","0.0768","0.0571","","","0.1575","0.1714","","","","","","1.018","","","","has coordinates","179271","2020-10-21","18:00:00","" "4319170","20.159","0.005","10.354","0.003","15.833","0.004","90","","90","","90","","3304.8","1.5","193","2","193","2","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C24 H52 Al Li N4 O6 S2 -","- C24 H52 Al Li N4 O6 S2 -","- C96 H208 Al4 Li4 N16 O24 S8 -","4","1","","Pierre Blais; Justin K. Brask; Tristram Chivers; Gabriele Schatte","Tetraaza Analogues of Lithium and Sodium Alums: Synthesis and X-ray Structures of the Single Strand Polymer [Li(THF)2{Al[SO2(NtBu)2]2}]∞and the Contact Ion Pairs [Na(15-crown-5)][Al{SO2(NtBu)2}2] and {[Na(15-crown-5)][O2S(μ-NBn)2Al(μ-NBnSO2NBn)]}2","Inorganic Chemistry","2001","40","","384","388","10.1021/ic0006549","","","0.71073","MoKα","","0.072","0.054","","","0.1384","0.1493","","","","","","0.974","","","","has coordinates,has disorder","179271","2020-10-21","18:00:00","" "4319171","11.528","0.003","11.791","0.003","20.334","0.004","94.01","0.02","103.75","0.02","111.8","0.02","2454.1","1.1","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C34 H60 Co2 N10 O6 S4 -","- C34 H60 Co2 N10 O6 S4 -","- C68 H120 Co4 N20 O12 S8 -","2","1","","Nicholas P. Chatterton; David M. L. Goodgame; David A. Grachvogel; Izhar Hussain; Andrew J. P. White; David J. Williams","Influence of the Counteranion on the Formation of Polymeric Networks by Metal Complexes of Hexamethylenebis(acetamide)","Inorganic Chemistry","2001","40","","312","317","10.1021/ic000673i","","","0.71073","MoKα","","0.135","0.0794","","0.2553","0.2042","","","","1.037","1.118","1.118","","","","","has coordinates","176467","2020-10-21","18:00:00","" "4319172","13.9921","0.001","13.9921","0.001","25.705","0.002","90","","90","","120","","4358.3","0.6","293","2","293","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C32 H62 Cl6 N12 Nd2 O24 -","- C32 H62 Cl6 N12 Nd2 O24 -","- C96 H186 Cl18 N36 Nd6 O72 -","3","0.166667","","Nicholas P. Chatterton; David M. L. Goodgame; David A. Grachvogel; Izhar Hussain; Andrew J. P. White; David J. Williams","Influence of the Counteranion on the Formation of Polymeric Networks by Metal Complexes of Hexamethylenebis(acetamide)","Inorganic Chemistry","2001","40","","312","317","10.1021/ic000673i","","","0.71073","MoKα","","0.0422","0.028","","0.0663","0.0611","","","","1.102","1.164","1.164","","","","","has coordinates","176467","2020-10-21","18:00:00","" "4319173","16.015","0.002","14.6649","0.0013","19.457","0.004","90","","101.76","0.013","90","","4473.7","1.2","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C30 H60 Cl4 Co Hg N6 O6 -","- C30 H60 Cl4 Co Hg N6 O6 -","- C120 H240 Cl16 Co4 Hg4 N24 O24 -","4","1","","Nicholas P. Chatterton; David M. L. Goodgame; David A. Grachvogel; Izhar Hussain; Andrew J. P. White; David J. Williams","Influence of the Counteranion on the Formation of Polymeric Networks by Metal Complexes of Hexamethylenebis(acetamide)","Inorganic Chemistry","2001","40","","312","317","10.1021/ic000673i","","","0.71073","MoKα","","0.0897","0.0467","","0.1065","0.088","","","","1.016","1.094","1.094","","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00","" "4319174","12.856","0.002","13.097","0.002","18.002","0.002","93.609","0.01","99.887","0.011","91.441","0.011","2978.2","0.7","293","2","293","2","","","","","","","","8","P -1","-P 1","2","","","","- C33 H63 Br4 Cl9 Hg Mn N6 O6 -","- C33 H63 Br4 Cl9 Hg Mn N6 O6 -","- C66 H126 Br8 Cl18 Hg2 Mn2 N12 O12 -","2","1","","Nicholas P. Chatterton; David M. L. Goodgame; David A. Grachvogel; Izhar Hussain; Andrew J. P. White; David J. Williams","Influence of the Counteranion on the Formation of Polymeric Networks by Metal Complexes of Hexamethylenebis(acetamide)","Inorganic Chemistry","2001","40","","312","317","10.1021/ic000673i","","","0.71073","MoKα","","0.1987","0.0786","","0.2319","0.1658","","","","0.987","1.168","1.168","","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00","" "4319175","11.818","0.002","16.118","0.003","25.765","0.005","82.56","0.03","88.62","0.03","68.95","0.03","4540.4","1.7","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C54 H108 K3 N6 O18 Se5 Tl5 -","- C56.13 K3 N7.57 O18 Se5 Tl5 -","- C112.26 K6 N15.14 O36 Se10 Tl10 -","2","1","","Janette Campbell; Hélène P. A. Mercier; David P. Santry; Reijo J. Suontamo; Horst Borrmann; Gary J. Schrobilgen","First Examples of Thallium Chalcogenide Cages. Syntheses,77Se,203Tl, and 205Tl NMR Study of the Tl4Se54- and Tl4Se64- Anions, the X-ray Crystal Structure of (2,2,2-crypt-K+)3Tl5Se53-, and Theoretical Studies","Inorganic Chemistry","2001","40","","233","254","10.1021/ic000779d","","","0.71073","MoKα","","0.1699","0.1418","","0.369","0.3447","","","","1.179","1.275","1.275","","","","","has coordinates","179271","2020-10-21","18:00:00","" "4319176","13.9324","0.0014","13.9324","0.0014","13.9324","0.0014","90","","90","","90","","2704.4","0.5","293","2","293","2","","","","","","","","3","I m -3","-I 2 2 3","204","","","","- Al51.29 Li52 Zn56.71 -","- Al51.36 Li52 Zn56.712 -","- Al51.36 Li52 Zn56.712 -","1","0.0208333","","Chi-Shen Lee; Gordon J. Miller","Experimental and Theoretical Studies of Elemental Site Preferences in Quasicrystalline Approximants (R-Phases) within the Li-Mg-Zn-Al System","Inorganic Chemistry","2001","40","","338","345","10.1021/ic0008363","","","0.71073","MoKα","","0.0262","0.0176","","","0.0306","0.0314","","","","","","1.028","","","","has coordinates","179271","2020-10-21","18:00:00","" "4319177","14.1109","0.0017","14.1109","0.0017","14.1109","0.0017","90","","90","","90","","2809.7","0.6","293","2","293","2","","","","","","","","4","I m -3","-I 2 2 3","204","","","","- Al23 Li20 Mg32 Zn85 -","- Al68.16 Li34.16 Mg17.832 Zn39.984 -","- Al68.16 Li34.16 Mg17.832 Zn39.984 -","1","0.0208333","","Chi-Shen Lee; Gordon J. Miller","Experimental and Theoretical Studies of Elemental Site Preferences in Quasicrystalline Approximants (R-Phases) within the Li-Mg-Zn-Al System","Inorganic Chemistry","2001","40","","338","345","10.1021/ic0008363","","","0.71073","MoKα","","0.0274","0.0209","","","0.0414","0.0426","","","","","","1.036","","","","has coordinates","179271","2020-10-21","18:00:00","" "4319178","14.0929","0.0015","14.0929","0.0015","14.0929","0.0015","90","","90","","90","","2799","0.5","298","2","298","2","","","","","","","","4","I m -3","-I 2 2 3","204","","","","- Al68.78 Li32.16 Mg19.84 Zn39.22 -","- Al69.12 Li32 Mg19.816 Zn39.192 -","- Al69.12 Li32 Mg19.816 Zn39.192 -","1","0.0208333","","Chi-Shen Lee; Gordon J. Miller","Experimental and Theoretical Studies of Elemental Site Preferences in Quasicrystalline Approximants (R-Phases) within the Li-Mg-Zn-Al System","Inorganic Chemistry","2001","40","","338","345","10.1021/ic0008363","","","0.71073","MoKα","","0.0381","0.0224","","","0.0307","0.0322","","","","","","0.948","","","","has coordinates","179271","2020-10-21","18:00:00","" "4319179","14.1008","0.0018","14.1008","0.0018","14.1008","0.0018","90","","90","","90","","2803.7","0.6","293","2","293","2","","","","","","","","4","I m -3","-I 2 2 3","204","","","","- Al69 Li34 Mg18 Zn39 -","- Al69.36 Li33.84 Mg18.272 Zn38.712 -","- Al69.36 Li33.84 Mg18.272 Zn38.712 -","1","0.0208333","","Chi-Shen Lee; Gordon J. Miller","Experimental and Theoretical Studies of Elemental Site Preferences in Quasicrystalline Approximants (R-Phases) within the Li-Mg-Zn-Al System","Inorganic Chemistry","2001","40","","338","345","10.1021/ic0008363","","","0.71073","MoKα","","0.0301","0.019","","","0.0314","0.033","","","","","","1.011","","","","has coordinates","179271","2020-10-21","18:00:00","" "4319180","14.105","0.0017","14.105","0.0017","14.105","0.0017","90","","90","","90","","2806.2","0.6","293","2","293","2","","","","","","","","4","I m -3","-I 2 2 3","204","","","","- Al50.67 Li32.84 Mg19.16 Zn57.33 -","- Al50.64 Li32.88 Mg19.16 Zn57.336 -","- Al50.64 Li32.88 Mg19.16 Zn57.336 -","1","0.0208333","","Chi-Shen Lee; Gordon J. Miller","Experimental and Theoretical Studies of Elemental Site Preferences in Quasicrystalline Approximants (R-Phases) within the Li-Mg-Zn-Al System","Inorganic Chemistry","2001","40","","338","345","10.1021/ic0008363","","","0.71073","MoKα","","0.0178","0.0157","","","0.0385","0.0392","","","","","","1.051","","","","has coordinates","179271","2020-10-21","18:00:00","" "4319181","13.936","0.003","13.936","0.003","13.936","0.003","90","","90","","90","","2706.5","1","293","2","293","2","","","","","","","","4","I m -3","-I 2 2 3","204","","","","- Al69 Li32 Mg20 Zn39 -","- Al24.84 Li24.32 Mg27.664 Zn83.29 -","- Al24.84 Li24.32 Mg27.664 Zn83.29 -","1","0.0208333","","Chi-Shen Lee; Gordon J. Miller","Experimental and Theoretical Studies of Elemental Site Preferences in Quasicrystalline Approximants (R-Phases) within the Li-Mg-Zn-Al System","Inorganic Chemistry","2001","40","","338","345","10.1021/ic0008363","","","0.71073","MoKα","","0.0531","0.0269","","","0.0367","0.0393","","","","","","0.977","","","","has coordinates","179271","2020-10-21","18:00:00","" "4319182","14.007","0.0018","14.007","0.0018","14.007","0.0018","90","","90","","90","","2748.1","0.6","571","2","571","2","","","","","","","","3","I m -3","-I 2 2 3","204","","","","- Al54 Li52 Zn54 -","- Al80.88 Li52 Zn27.096 -","- Al80.88 Li52 Zn27.096 -","1","0.0208333","","Chi-Shen Lee; Gordon J. Miller","Experimental and Theoretical Studies of Elemental Site Preferences in Quasicrystalline Approximants (R-Phases) within the Li-Mg-Zn-Al System","Inorganic Chemistry","2001","40","","338","345","10.1021/ic0008363","","","0.71073","MoKα","","0.0289","0.0229","","","0.052","0.0533","","","","","","1.054","","","","has coordinates","179271","2020-10-21","18:00:00","" "4319183","13.9609","0.0015","13.9609","0.0015","13.9609","0.0015","90","","90","","90","","2721.1","0.5","293","2","293","2","","","","","","","","3","I m -3","-I 2 2 3","204","","","","- Al62.25 Li52 Zn45.75 -","- Al62.16 Li52 Zn45.744 -","- Al62.16 Li52 Zn45.744 -","1","0.0208333","","Chi-Shen Lee; Gordon J. Miller","Experimental and Theoretical Studies of Elemental Site Preferences in Quasicrystalline Approximants (R-Phases) within the Li-Mg-Zn-Al System","Inorganic Chemistry","2001","40","","338","345","10.1021/ic0008363","","","0.71073","MoKα","","0.0277","0.0199","","","0.0367","0.0374","","","","","","1.087","","","","has coordinates","179271","2020-10-21","18:00:00","" "4319184","13.9544","0.0018","13.9544","0.0018","13.9544","0.0018","90","","90","","90","","2717.3","0.6","298","2","298","2","","","","","","","","3","I m -3","-I 2 2 3","204","","","","- Al28.4 Li26 Zn25.6 -","- Al28.32 Li26 Zn25.596 -","- Al56.64 Li52 Zn51.192 -","2","0.0416667","","Chi-Shen Lee; Gordon J. Miller","Experimental and Theoretical Studies of Elemental Site Preferences in Quasicrystalline Approximants (R-Phases) within the Li-Mg-Zn-Al System","Inorganic Chemistry","2001","40","","338","345","10.1021/ic0008363","","","0.71073","MoKα","","0.0421","0.0262","","","0.0453","0.0474","","","","","","1.062","","","","has coordinates","176467","2020-10-21","18:00:00","" "4319185","12.1974","0.0007","6.2638","0.0003","13.9611","0.0008","90","0.001","105.155","0.001","90","0.001","1029.56","0.1","173","2","173","2","","","","","","","Bing Luo, Wayne L. Gladfelter","4","P 1 21/n 1","-P 2yn","14","99068","","","- C14 H38 Ga2 N4 -","- C14 H38 Ga2 N4 -","- C28 H76 Ga4 N8 -","2","0.5","","Bing Luo; Maren Pink; Wayne L. Gladfelter","Gallane Complexes with Amido-Amine Ligands","Inorganic Chemistry","2001","40","","307","311","10.1021/ic0008565","","","0.71073","MoKα","","0.0225","0.0183","","0.0473","0.0457","","","","1.025","1.056","1.056","","","","","has coordinates","179271","2020-10-21","18:00:00","" "4319186","9.78","0.0002","8.303","0.0001","13.0967","0.0003","90","0.001","91.545","0.001","90","0.001","1063.11","0.04","173","2","173","2","","","","","","","Bing luo, Wayne L. Gladfelter","5","P 1 21/c 1","-P 2ybc","14","99043","","","- C7 H18 Cl Ga N2 -","- C7 H18 Cl Ga N2 -","- C28 H72 Cl4 Ga4 N8 -","4","1","","Bing Luo; Maren Pink; Wayne L. Gladfelter","Gallane Complexes with Amido-Amine Ligands","Inorganic Chemistry","2001","40","","307","311","10.1021/ic0008565","","","0.71073","MoKα","","0.0404","0.0308","","0.0613","0.0586","","","","1.096","1.125","1.125","","","","","has coordinates","179271","2020-10-21","18:00:00","" "4319187","12.0948","0.0002","14.2229","0.0001","12.9553","0.0001","90","0.001","114.883","0.001","90","0.001","2021.73","0.04","173","2","173","2","","","","","","","Bing Luo, Wayne L. Gladfelter","5","P 1 21/c 1","-P 2ybc","14","99067","","","- C26 H72 Ga2 N6 Si4 -","- C26 H72 Ga2 N6 Si4 -","- C52 H144 Ga4 N12 Si8 -","2","0.5","","Bing Luo; Maren Pink; Wayne L. Gladfelter","Gallane Complexes with Amido-Amine Ligands","Inorganic Chemistry","2001","40","","307","311","10.1021/ic0008565","","","0.71073","MoKα","","0.0323","0.0287","","0.0759","0.0745","","","","1.064","1.095","1.095","","","","","has coordinates","179271","2020-10-21","18:00:00","" "4319188","5.0306","0.0008","9.3626","0.0015","10.6131","0.0017","65.949","0.004","88.218","0.004","77.19","","444.13","0.12","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C4 H11 Al F N O4 P -","- C4 H11 Al F N O4 P -","- C8 H22 Al2 F2 N2 O8 P2 -","2","1","","Wenfu Yan; Jihong Yu; Zhan Shi; Ruren Xu","A New Fluoroaluminophosphate Chain with an Al/P Ratio of Unity","Inorganic Chemistry","2001","40","","379","383","10.1021/ic000879j","","","0.71073","MoKα","","0.0783","0.0646","","","0.1536","0.1644","","","","","","1.025","","","","has coordinates","192782","2020-10-21","18:00:00","" "4319189","11.34","0.001","11.34","0.001","32.984","0.001","90","","90","","120","","3673.3","0.5","293","2","293","2","","","","","","","","5","P 61","P 61","169","","","","- C17 H33 N5 O8 Zn2 -","- C17 H27 N5 O8 Zn2 -","- C102 H162 N30 O48 Zn12 -","6","1","","Andrea Erxleben","Synthesis and Structure of a Helical Coordination Polymer: {[Zn2(bdaip)(μ-OH)(OH)]NO3.2H2O}∞(Hbdaip = 2,6-Bis{N-[2-(dimethylamino)ethyl]- iminomethyl}-4-methylphenol)","Inorganic Chemistry","2001","40","","412","414","10.1021/ic000929k","","","0.71069","MoKα","","0.0775","0.0539","","0.1625","0.1403","","","","1.035","1.117","1.117","","","","","has coordinates","192782","2020-10-21","18:00:00","" "4319190","9.343","0.001","4.3469","0.0008","12.496","0.003","90","","93.42","0.02","90","","506.6","0.16","293","2","293","2","","","","","","","","3","P 1 21/m 1","-P 2yb","11","","","","- I3 La3 Ru -","- I3 La3 Ru -","- I6 La6 Ru2 -","2","0.5","","Martin Köckerling; James D. Martin","Electronic Fine Tuning of the Structures of Reduced Rare-Earth Metal Halides","Inorganic Chemistry","2001","40","","389","395","10.1021/ic000986d","","","0.71073","MoKα","","","0.0227","","","0.0262","","","","","0.8541","0.8541","","","","","has coordinates","179271","2020-10-21","18:00:00","" "4319191","10.562","0.002","18.472","0.004","9.301","0.001","93.91","0.01","95.87","0.01","85.05","0.02","1795.2","0.6","296.2","","","","","","","","","","","6","P -1","-P 1","2","","","","- C39 H40 N O5 P S -","- C39 H42 N O5 P S -","- C78 H84 N2 O10 P2 S2 -","2","1","","Akira Onoda; Yusuke Yamada; Mototsugu Doi; Taka-aki Okamura; Norikazu Ueyama","Dinuclear Calcium Complex with Weakly NH...O Hydrogen-Bonded Sulfonate Ligands","Inorganic Chemistry","2001","40","","516","521","10.1021/ic0003067","","","0.7107","MoKα","","","0.084","","","","0.0992","","","","","","2.148","","","","has coordinates","176467","2020-10-21","18:00:00","" "4319192","11.032","0.003","14.753","0.003","9.447","0.001","96.67","0.01","90.11","0.01","71.71","0.02","1449","0.5","296.2","","","","","","","","","","","6","P -1","-P 1","2","","","","- C22 H36 Ca N2 O12 S2 -","- C22 H28 Ca N2 O12 S2 -","- C44 H56 Ca2 N4 O24 S4 -","2","1","","Akira Onoda; Yusuke Yamada; Mototsugu Doi; Taka-aki Okamura; Norikazu Ueyama","Dinuclear Calcium Complex with Weakly NH...O Hydrogen-Bonded Sulfonate Ligands","Inorganic Chemistry","2001","40","","516","521","10.1021/ic0003067","","","0.7107","MoKα","","","0.0755","","","","0.1286","","","","","","2.283","","","","has coordinates","176467","2020-10-21","18:00:00","" "4319193","10.043","0.002","20.633","0.002","9.73","0.002","90","","90","","90","","2016.2","0.6","296.2","","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C17 H29 N2 O4 S -","- C17 H30 N2 O4 S -","- C68 H120 N8 O16 S4 -","4","1","","Akira Onoda; Yusuke Yamada; Mototsugu Doi; Taka-aki Okamura; Norikazu Ueyama","Dinuclear Calcium Complex with Weakly NH...O Hydrogen-Bonded Sulfonate Ligands","Inorganic Chemistry","2001","40","","516","521","10.1021/ic0003067","","","0.7107","MoKα","","","0.0671","","","","0.0714","","","","","","2.462","","","","has coordinates","201982","2020-10-21","18:00:00","" "4319194","10.9163","0.0006","11.5404","0.0006","20.7951","0.0011","83.747","0.001","78.928","0.001","85.252","0.001","2550.5","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C60 H66 N4 P2 Ti -","- C60 H66 N4 P2 Ti -","- C120 H132 N8 P4 Ti2 -","2","1","","Joseph L. Thorman; Victor G. Young,; Peter D. W. Boyd; Ilia A. Guzei; L. Keith Woo","Atom Transfer Reactions of (TTP)Ti(η2-3-hexyne): Synthesis and Molecular Structure of trans-(TTP)Ti[OP(Oct)3]2","Inorganic Chemistry","2001","40","","499","506","10.1021/ic0003426","","","0.71073","MoKα","","0.1766","0.1262","","","0.3514","0.3795","","","","","","1.088","","","","has coordinates","179271","2020-10-21","18:00:00","" "4319195","10.2196","0.0001","28.6024","0.0005","15.4589","0.0002","90","","96.169","0.001","90","","4492.55","0.11","173","2","173","2","","","","","","","J. Thorman / Prof. K. Woo - ISU","6","P 1 21/n 1","-P 2yn","14","97310","","","- C96 H138 N4 O2 P2 Ti -","- C96 H138 N4 O2 P2 Ti -","- C192 H276 N8 O4 P4 Ti2 -","2","0.5","","Joseph L. Thorman; Victor G. Young,; Peter D. W. Boyd; Ilia A. Guzei; L. Keith Woo","Atom Transfer Reactions of (TTP)Ti(η2-3-hexyne): Synthesis and Molecular Structure of trans-(TTP)Ti[OP(Oct)3]2","Inorganic Chemistry","2001","40","","499","506","10.1021/ic0003426","","","0.71073","MoKα","","0.1026","0.0548","","0.1303","0.1138","","","","0.989","1.096","1.096","","","","","has coordinates","179271","2020-10-21","18:00:00","" "4319196","11.3469","0.001","11.7724","0.0013","15.516","0.003","105.789","0.012","99.798","0.011","110.295","0.007","1788.4","0.5","292","2","292","2","","","","","","","","6","P -1","-P 1","2","","","","- C80 H94 B2 Cu2 N6 O4 -","- C80 H94 B2 Cu2 N6 O4 -","- C80 H94 B2 Cu2 N6 O4 -","1","0.5","","Louis J. Farrugia; Stefan Lopinski; Paul A. Lovatt; Robert D. Peacock","Fixing Carbon Dioxide with Copper: Crystal Structure of [LCu(μ-C2O4)CuL][Ph4B]2 (L = N,N',N''-Triallyl-1,4,7-triazacyclononane)","Inorganic Chemistry","2001","40","","558","559","10.1021/ic000418y","","","0.71073","MoKα","","0.1061","0.0625","","","0.1564","0.1716","","","","","","1.087","","","","has coordinates","179271","2020-10-21","18:00:00","" "4319197","20.3619","0.0004","14.0345","0.0003","24.1575","0.0005","90","","90","","90","","6903.5","0.2","173","2","173","2","","","","","","","Prof. D. Krogstad - University of the South","7","P b c a","-P 2ac 2ab","61","98324a","","","- C25 H54 Cl Ir N12 O4 P4 -","- C25 H54 Cl Ir N12 O4 P4 -","- C200 H432 Cl8 Ir8 N96 O32 P32 -","8","1","","Don A. Krogstad; Jason A. Halfen; Tracy J. Terry; Victor G. Young","Synthesis and Characterization of Iridium 1,3,5-Triaza-7-phosphaadamantane (PTA) Complexes. X-ray Crystal and Molecular Structures of [Ir(PTA)4(CO)]Cl and [Ir(PTAH)3(PTAH2)(H)2]Cl6","Inorganic Chemistry","2001","40","","463","471","10.1021/ic000501l","","","0.71073","MoKα","","0.0372","0.0246","","0.0605","0.0574","","","","1.02","1.103","1.103","","","","","has coordinates","179271","2020-10-21","18:00:00","" "4319198","12.4432","0.0009","12.5921","0.0009","16.3231","0.0012","76.004","0.001","71.605","0.001","69.177","0.001","2244","0.3","173","2","173","2","","","","","","","","7","P -1","-P 1","2","0001","","","- C24 H72 Cl7 Ir N12 O7 P4 -","- C24 H64 Cl7 Ir N12 O7 P4 -","- C48 H128 Cl14 Ir2 N24 O14 P8 -","2","1","","Don A. Krogstad; Jason A. Halfen; Tracy J. Terry; Victor G. Young","Synthesis and Characterization of Iridium 1,3,5-Triaza-7-phosphaadamantane (PTA) Complexes. X-ray Crystal and Molecular Structures of [Ir(PTA)4(CO)]Cl and [Ir(PTAH)3(PTAH2)(H)2]Cl6","Inorganic Chemistry","2001","40","","463","471","10.1021/ic000501l","","","0.71073","MoKα","","0.0465","0.0423","","","0.1082","0.1117","","","","","","1.044","","","","has coordinates","179271","2020-10-21","18:00:00","" "4319199","9.946","0.002","10.305","0.003","16.948","0.004","76.11","0.02","75.43","0.02","69.58","0.02","1553.2","0.7","301.2","","301.2","","","","","","","","","8","P -1","-P 1","2","","","","- C29 H30 F6 N3 O5 P Pt S -","- C29 H30 F14 N3 O5 P Pt S -","- C58 H60 F28 N6 O10 P2 Pt2 S2 -","2","1","","Vivian Wing-Wah Yam; Rowena Pui-Ling Tang; Keith Man-Chung Wong; Chi-Chiu Ko; Kung-Kai Cheung","Synthesis and Ion-Binding Studies of a Platinum(II) Terpyridine Complex with Crown Ether Pendant. X-ray Crystal Structure of [Pt(trpy)(S-benzo-15-crown-5)]PF6","Inorganic Chemistry","2001","40","","571","574","10.1021/ic000586q","","","0.7107","MoKalpha","","","0.0338","","","0.0422","","","","","1.479","1.479","","","","","has coordinates","176467","2020-10-21","18:00:00","" "4319200","14.0762","0.0001","14.0762","0.0001","14.0762","0.0001","90","","90","","90","","2789.05","0.03","173","2","173","2","","","","","","","","5","P a -3","-P 2ac 2ab 3","205","","","","- C12 H18 Ga N3 O6 -","- C12 H18 Ga N3 O6 -","- C96 H144 Ga8 N24 O48 -","8","0.333333","","Hongyan Luo; Natashia Eberly; Robin D. Rogers; Martin W. Brechbiel","Syntheses and Characterizations of Metal Complexes Derived from cis,cis-1,3,5-Triaminocyclohexane-N,N',N''-triacetic Acid","Inorganic Chemistry","2001","40","","493","498","10.1021/ic000603b","","","0.71073","MoKα","","0.0628","0.043","","0.0936","0.086","","","","1.139","1.187","1.187","","","","","has coordinates","179272","2020-10-21","18:00:00","" "4319201","15.1688","0.0004","8.4708","0.0002","15.9408","0.0002","90","","108.058","0.001","90","","1947.37","0.07","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H28 Cl3 N3 O8 -","- C12 H28 Cl3 N3 O8 -","- C48 H112 Cl12 N12 O32 -","4","1","","Hongyan Luo; Natashia Eberly; Robin D. Rogers; Martin W. Brechbiel","Syntheses and Characterizations of Metal Complexes Derived from cis,cis-1,3,5-Triaminocyclohexane-N,N',N''-triacetic Acid","Inorganic Chemistry","2001","40","","493","498","10.1021/ic000603b","","","0.71073","MoKα","","0.1003","0.0558","","0.1247","0.101","","","","1.095","1.122","1.122","","","","","has coordinates","179272","2020-10-21","18:00:00","" "4319202","10.2858","0.0007","11.3045","0.0008","20.8078","0.0015","77.592","0.001","79.084","0.001","77.684","0.001","2282.3","0.3","110","2","110","2","","","","","","","","5","P -1","-P 1","2","","","","- B H36 I13 O17.7 Zr6 -","- B I13 O17.704 Zr6 -","- B2 I26 O35.408 Zr12 -","2","1","","Xiaobing Xie; Jamie N. Jones; Timothy Hughbanks","Excision of Zirconium Iodide Clusters from Highly Cross-Linked Solids","Inorganic Chemistry","2001","40","","522","527","10.1021/ic000651w","","","0.71073","MoKα","","0.0651","0.056","","","0.1536","0.1609","","","","","","1.032","","","","has coordinates","176467","2020-10-21","18:00:00","" "4319203","17.7058","0.0012","17.7058","0.0012","13.9104","0.0014","90","","90","","120","","3776.6","0.5","110","2","110","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C12 H48 B I13 O12 Zr6 -","- C12 H42 B I13 O12 Zr6 -","- C36 H126 B3 I39 O36 Zr18 -","3","0.166667","","Xiaobing Xie; Jamie N. Jones; Timothy Hughbanks","Excision of Zirconium Iodide Clusters from Highly Cross-Linked Solids","Inorganic Chemistry","2001","40","","522","527","10.1021/ic000651w","","","0.71073","MoKα","","0.0254","0.0222","","","0.0501","0.0512","","","","","","1.046","","","","has coordinates","179272","2020-10-21","18:00:00","" "4319204","10.1566","0.0005","10.4513","0.0005","10.7549","0.0006","117.552","0.001","96.443","0.001","96.617","0.001","987.5","0.09","110","2","110","2","","","","","","","","5","P -1","-P 1","2","","","","- C H20 I14 O10 Zr6 -","- C I14 O10 Zr6 -","- C I14 O10 Zr6 -","1","0.5","","Xiaobing Xie; Jamie N. Jones; Timothy Hughbanks","Excision of Zirconium Iodide Clusters from Highly Cross-Linked Solids","Inorganic Chemistry","2001","40","","522","527","10.1021/ic000651w","","","0.71073","MoKα","","0.0299","0.0269","","","0.0696","0.0709","","","","","","1.087","","","","has coordinates","179272","2020-10-21","18:00:00","" "4319205","7.513","0.0015","8.083","0.0016","10.314","0.002","90","","107.46","0.03","90","","597.5","0.2","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","Difluoronitrosyl hexafluoroarsenate","Difluoronitrosyl hexafluoroarsenate","","- As F8 N O -","- As F8 N O -","- As4 F32 N4 O4 -","4","1","","Ashwani Vij; Xiongzhi Zhang; Karl O. Christe","Crystal Structure of F2NO+AsF6- and Method for Extracting Meaningful Geometries from Oxygen/Fluorine Disordered Crystal Structures","Inorganic Chemistry","2001","40","","416","417","10.1021/ic0007613","","","0.71073","MoKα","","0.0526","0.0303","","","0.0668","0.0739","","","","","","1.028","","","","has coordinates,has disorder","179272","2020-10-21","18:00:00","" "4319206","12.1012","0.0006","12.6451","0.0006","12.8335","0.0007","70.605","0.001","88.848","0.001","65.654","0.001","1671.97","0.15","273.2","","273.2","","","","","","","","","5","P -1","-P 1","2","","","","- C45 H30 Cl N4 Rh -","- C45 H28 Cl0.998 N4 Rh -","- C90 H56 Cl1.996 N8 Rh2 -","2","1","","James P. Collman; Roman Boulatov","Unexpected Reactivity of Rh(TPP)I(CO) toward an Alkoxide in CH2Cl2: Synthesis and Crystal Structure of Rh(TPP)(CH2Cl)","Inorganic Chemistry","2001","40","","560","563","10.1021/ic000820c","","","0.7107","MoKα","","0.0679","","","0.092","","","","","1.63","","","1.63","","","","has coordinates","176467","2020-10-21","18:00:00","" "4319207","25.181","0.0002","25.181","0.0002","34.7744","0.0002","90","","90","","90","","22049.8","0.3","158","2","158","2","","","","","","","","6","P 4/n c c :2","-P 4a 2ac","130","","","","- C106 H123.5 B2 N12 O10 Zn2 -","- C106 H116 B2 N12 O10 Zn2 -","- C848 H928 B16 N96 O80 Zn16 -","8","0.5","","David A. Shultz; Scot H. Bodnar; R. Krishna Kumar; Hyoyoung Lee; Jeff W. Kampf","Molecular Structures of Carbonyl-Linked Bis(dioxolene) Complexes: Can a Carbonyl Group Act as an Effective Ferromagnetic Coupler?","Inorganic Chemistry","2001","40","","546","549","10.1021/ic000956a","","","0.71073","MoKα","","0.0941","0.0693","","","0.1762","0.1934","","","","","","1.049","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00","" "4319208","13.6624","0.0002","13.8092","0.0001","26.6234","0.0001","96.691","0.001","91.856","0.001","109.019","0.001","4703.15","0.09","158","2","158","2","","","","","","","","6","P -1","-P 1","2","","","","- C101 H120 B2 N12 O6 Zn2 -","- C101 H120 B2 N12 O6 Zn2 -","- C202 H240 B4 N24 O12 Zn4 -","2","1","","David A. Shultz; Scot H. Bodnar; R. Krishna Kumar; Hyoyoung Lee; Jeff W. Kampf","Molecular Structures of Carbonyl-Linked Bis(dioxolene) Complexes: Can a Carbonyl Group Act as an Effective Ferromagnetic Coupler?","Inorganic Chemistry","2001","40","","546","549","10.1021/ic000956a","","","0.71073","MoKα","","0.1631","0.0911","","","0.1651","0.1958","","","","","","1.048","","","","has coordinates","179272","2020-10-21","18:00:00","" "4319209","34.412","0.003","34.012","0.003","22.489","0.002","90","","93.273","0.002","90","","26279","4","193","2","193","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C118.9 H129.8 Cl9.8 Mo6 N12 O24 -","- C118.9 H92 Cl9.8 Mo6 N12 O24 -","- C951.2 H736 Cl78.4 Mo48 N96 O192 -","8","1","","F. Albert Cotton; Chun Lin; Carlos A. Murillo","A Neutral Triangular Supramolecule Formed by Mo24+ Units","Inorganic Chemistry","2001","40","","575","577","10.1021/ic000963z","","","0.71073","MoKα","","0.22","0.1406","","0.3665","0.2908","","","","1.245","1.308","1.308","","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00","" "4319210","14.588","0.002","19.945","0.003","10.3753","0.0009","90","","90","","90","","3018.8","0.7","213","2","213","2","","","","","","","synthesis","7","P 21 21 2","P 2 2ab","18","","","","- C50 H54 Cl6 Cu6 Mo2 N16 O3 -","- C50 H36 Cl6 Cu6 Mo2 N16 O3 -","- C100 H72 Cl12 Cu12 Mo4 N32 O6 -","2","0.5","","Rodolphe Clérac; F. Albert Cotton; Kim R. Dunbar; Carlos A. Murillo; Xiaoping Wang","Dinuclear and Heteropolynuclear Complexes Containing Mo24+ Units","Inorganic Chemistry","2001","40","","420","426","10.1021/ic001002n","","","0.71073","MoKα","","0.0454","0.0432","","0.1277","0.1222","","","","1.078","1.073","1.073","","","","","has coordinates,has disorder","179272","2020-10-21","18:00:00","" "4319211","12.1384","0.0004","18.494","0.001","18.543","0.0009","90","","90","","90","","4162.7","0.3","295","2","295","2","","","","","","","synthesis","4","P b c a","-P 2ac 2ab","61","","","","- C44 H36 Mo2 N16 -","- C44 H28 Mo2 N16 -","- C176 H112 Mo8 N64 -","4","0.5","","Rodolphe Clérac; F. Albert Cotton; Kim R. Dunbar; Carlos A. Murillo; Xiaoping Wang","Dinuclear and Heteropolynuclear Complexes Containing Mo24+ Units","Inorganic Chemistry","2001","40","","420","426","10.1021/ic001002n","","","0.71073","MoKα","","0.0463","0.0404","","0.1106","0.0992","","","","1.091","1.067","1.067","","","","","has coordinates,has disorder","179272","2020-10-21","18:00:00","" "4319212","15.792","0.002","17.561","0.004","20.451","0.003","90","","90","","90","","5671.5","1.7","213","2","213","2","","","","","","","synthesis","7","C 2 2 21","C 2c 2","20","","","","- C46 H44 Cl4 Co2 Mo2 N16 O2 -","- C46 H36 Cl4 Co2 Mo2 N16 O2 -","- C184 H144 Cl16 Co8 Mo8 N64 O8 -","4","0.5","","Rodolphe Clérac; F. Albert Cotton; Kim R. Dunbar; Carlos A. Murillo; Xiaoping Wang","Dinuclear and Heteropolynuclear Complexes Containing Mo24+ Units","Inorganic Chemistry","2001","40","","420","426","10.1021/ic001002n","","","0.71073","MoKα","","0.0776","0.075","","0.1823","0.1736","","","","1.2","1.208","1.208","","","","","has coordinates","179272","2020-10-21","18:00:00","" "4319213","10.67","0.002","12.529","0.003","15.588","0.006","102.3","0.02","103.43","0.01","111.07","0.02","1787.6","1","213","2","213","2","","","","","","","","6","P -1","-P 1","2","","","","- C68 H68 Cl4 Mo4 N8 O16 -","- C68 H64 Cl4 Mo4 N8 O16 -","- C68 H64 Cl4 Mo4 N8 O16 -","1","0.5","","F. Albert Cotton; Chun Lin; Carlos A. Murillo","Connecting Pairs of Dimetal Units To Form Molecular Loops","Inorganic Chemistry","2001","40","","472","477","10.1021/ic0010151","","","0.71073","MoKα","","0.0862","0.071","","0.1636","0.1483","","","","1.078","1.077","1.077","","","","","has coordinates,has disorder","179272","2020-10-21","18:00:00","" "4319214","16.194","0.003","17.347","0.003","17.559","0.003","98.72","0.01","96.98","0.01","114.92","0.01","4326.1","1.4","213","2","213","2","","","","","","","","5","P -1","-P 1","2","","","","- C87 H86.5 Mo4 N11.5 O16 -","- C87 H76 Mo4 N11.5 O16 -","- C174 H152 Mo8 N23 O32 -","2","1","","F. Albert Cotton; Chun Lin; Carlos A. Murillo","Connecting Pairs of Dimetal Units To Form Molecular Loops","Inorganic Chemistry","2001","40","","472","477","10.1021/ic0010151","","","0.71073","MoKα","","0.0949","0.0702","","0.1695","0.1522","","","","1.091","","","","","","","has coordinates","176467","2020-10-21","18:00:00","" "4319215","11.749","0.001","16.921","0.001","22.71","0.002","103.111","0.001","95.158","0.001","104.508","0.001","4205.1","0.6","213","2","213","2","","","","","","","","6","P -1","-P 1","2","","","","- C84 H81 Cl4 Mo4 N8 O16 -","- C84 H72 Cl4 Mo4 N8 O16 -","- C168 H144 Cl8 Mo8 N16 O32 -","2","1","","F. Albert Cotton; Chun Lin; Carlos A. Murillo","Connecting Pairs of Dimetal Units To Form Molecular Loops","Inorganic Chemistry","2001","40","","472","477","10.1021/ic0010151","","","0.71073","MoKα","","0.0704","0.0456","","","0.1122","0.1291","","","","","","1.012","","","","has coordinates,has disorder","179272","2020-10-21","18:00:00","" "4319216","10.182","0.001","12.959","0.003","16.153","0.003","107.54","0.01","93.38","0.01","99.9","0.01","1988","0.6","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C76 H80 Cl4 Mo4 N8 O16 -","- C76 H76 Cl4 Mo4 N8 O16 -","- C76 H76 Cl4 Mo4 N8 O16 -","1","0.5","","F. Albert Cotton; Chun Lin; Carlos A. Murillo","Connecting Pairs of Dimetal Units To Form Molecular Loops","Inorganic Chemistry","2001","40","","472","477","10.1021/ic0010151","","","0.71073","MoKα","","0.1014","0.0851","","","0.2344","0.2534","","","","","","1.079","","","","has coordinates,has disorder","179272","2020-10-21","18:00:00","" "4319217","19.089","0.001","18.708","0.001","23.708","0.001","90","","90.7","0.01","90","","8465.9","0.7","213","2","213","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C139 H142 Cl22 Mo8 N16 O32 -","- C139 H120 Cl22.0002 Mo8 N16 O32 -","- C278 H240 Cl44.0004 Mo16 N32 O64 -","2","0.5","","F. Albert Cotton; Chun Lin; Carlos A. Murillo","Supramolecular Squares with Mo24+ Corners","Inorganic Chemistry","2001","40","","478","484","10.1021/ic001016t","","","0.71073","MoKα","","0.0999","0.0754","","0.1943","0.1723","","","","1.09","","","","","","","has coordinates,has disorder","179272","2020-10-21","18:00:00","" "4319218","16.922","0.001","17.57","0.006","18.129","0.008","62.78","0.01","73.09","0.02","77.68","0.02","4565","3","273","2","273","2","","","","","","","","6","P -1","-P 1","2","","","","- C168.9 H166.8 Cl2.8 Mo8 N16 O32 -","- C168.9 H128 Cl2.8 Mo8 N16 O32 -","- C168.9 H128 Cl2.8 Mo8 N16 O32 -","1","0.5","","F. Albert Cotton; Chun Lin; Carlos A. Murillo","Supramolecular Squares with Mo24+ Corners","Inorganic Chemistry","2001","40","","478","484","10.1021/ic001016t","","","0.71073","MoKα","","0.0779","0.065","","0.179","0.1657","","","","1.07","","","","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00","" "4319219","16.951","0.003","17.07","0.01","20.935","0.008","103.84","0.02","104.85","0.04","105.92","0.03","5309","4","273","2","273","2","","","","","","","","6","P -1","-P 1","2","","","","- C180 H180 Fe4 Mo8 N16 O32 -","- C179.68 H152 Fe4 Mo8 N16 O32 -","- C179.68 H152 Fe4 Mo8 N16 O32 -","1","0.5","","F. Albert Cotton; Chun Lin; Carlos A. Murillo","Supramolecular Squares with Mo24+ Corners","Inorganic Chemistry","2001","40","","478","484","10.1021/ic001016t","","","0.71073","MoKα","","0.1225","0.0846","","0.2508","0.2056","","","","1.077","","","","","","","has coordinates,has disorder","179272","2020-10-21","18:00:00","" "4319220","12.394","0.001","28.572","0.002","30.336","0.003","61.909","0.002","81.464","0.002","84.454","0.002","9367.8","1.4","213","2","213","2","","","","","","","","6","P -1","-P 1","2","","","","- C177.1 H153.7 Cl0.2 Mo8 N16.5 O32 -","- C177.1 H152 Cl0.2 Mo8 N16.5 O32 -","- C354.2 H304 Cl0.4 Mo16 N33 O64 -","2","1","","F. Albert Cotton; Chun Lin; Carlos A. Murillo","Supramolecular Squares with Mo24+ Corners","Inorganic Chemistry","2001","40","","478","484","10.1021/ic001016t","","","0.71073","MoKα","","0.3454","0.1274","","","0.221","0.3063","","","","","","0.939","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00","" "4319221","10.421","0.0002","15.0591","0.0003","10.7892","0.0001","90","","114.309","0.001","90","","1543.04","0.05","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H17 N2 O5 V -","- C14 H17 N2 O5 V -","- C56 H68 N8 O20 V4 -","4","1","","Mooshin Moon; Myoungho Pyo; Young Chan Myoung; Chong Il Ahn; Myoung Soo Lah","Square Pyramidal Dialkoxo-Bound Monooxo-Vanadium(V) Complex and Its Behavior in Solution","Inorganic Chemistry","2001","40","","554","557","10.1021/ic9911163","","","0.71073","MoKα","","0.0629","0.0578","","","0.1303","0.1332","","","","","","1.273","","","","has coordinates","179272","2020-10-21","18:00:00","" "4319222","10.998","0.002","13.073","0.003","13.308","0.003","101.95","0.02","109.2","0.02","99.89","0.02","1707.2","0.7","295","","295","","","","","","","","chemical synthesis","5","P -1","-P 1","2","","","","- C58 H52 Fe4 N24 O28 -","- C58 H52 Fe4 N24 O28 -","- C58 H52 Fe4 N24 O28 -","1","0.5","","Donatella Armentano; Giovanni De Munno; Juan Faus; Francesc Lloret; Miguel Julve","Syntheses, Crystal Structures, and Magnetic Properties of the Oxalato-Bridged Mixed-Valence Complexes [FeII(bpm)3]2[FeIII2(ox)5].8H2O and FeII(bpm)3Na(H2O)2Fe(ox)3.4H2O (bpm = 2,2'-Bipyrimidine)","Inorganic Chemistry","2001","40","","655","660","10.1021/ic000258q","","","0.71073","MoKα","","8.36","4.77","","7.43","6.2","","","","","1.256","1.256","","","","","has coordinates","179272","2020-10-21","18:00:00","" "4319223","12.609","0.002","19.67","0.005","15.843","0.003","90","","99.46","0.01","90","","3875.9","1.4","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C30 H30 Fe2 N12 Na O18 -","- C30 H18 Fe2 N12 Na O18 -","- C120 H72 Fe8 N48 Na4 O72 -","4","1","","Donatella Armentano; Giovanni De Munno; Juan Faus; Francesc Lloret; Miguel Julve","Syntheses, Crystal Structures, and Magnetic Properties of the Oxalato-Bridged Mixed-Valence Complexes [FeII(bpm)3]2[FeIII2(ox)5].8H2O and FeII(bpm)3Na(H2O)2Fe(ox)3.4H2O (bpm = 2,2'-Bipyrimidine)","Inorganic Chemistry","2001","40","","655","660","10.1021/ic000258q","","","0.71073","MoKα","","0.1291","0.0852","","","0.2258","0.2507","","","","","","1.046","","","","has coordinates","179272","2020-10-21","18:00:00","" "4319224","10.372","0.002","14.79","0.003","19.588","0.004","93.08","0.03","91.45","0.03","107.44","0.03","2859.9","1.1","193","2","193","2","","","","","","","","5","P -1","-P 1","2","bis(2,2,6,6-tetramethyl-3,5-heptanedione)magnesium(II)(ethylenediamine)","bis(2,2,6,6-tetramethyl-3,5-heptanedione)magnesium(II)(1,2-ethanediamine)","","- C24 H46 Mg N2 O4 -","- C24 H46 Mg N2 O4 -","- C96 H184 Mg4 N8 O16 -","4","2","","Timo Hatanpää; Jarno Kansikas; Ilpo Mutikainen; Markku Leskelä","Ancillary Ligand Effect on the Properties of ""Mg(thd)2"" and Crystal Structures of [Mg(thd)2(ethylenediamine)]2, [Mg(thd)2(tmeda)], and [Mg(thd)2(trien)]1","Inorganic Chemistry","2001","40","","788","794","10.1021/ic000310i","","","0.71073","MoKα","","0.1039","0.0701","","","0.1698","0.19","","","","","","1.039","","","","has coordinates,has disorder","179272","2020-10-21","18:00:00","" "4319225","10.091","0.004","19.133","0.005","17.021","0.005","90","0.005","93.25","0.005","90","0.005","3281","1.8","193","2","193","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","Bis(2,2,6,6-tetramethyl-3,5-heptanedionate)magnesium(II) (N,N,N',N'-tetramethylethylenediamine)","Bis(2,2,6,6-tetramethyl-3,5-heptanedionate)magnesium(II) (1,2-Bis(dimethylamino)ethane)","","- C28 H54 Mg N2 O4 -","- C28 H54 Mg N2 O4 -","- C112 H216 Mg4 N8 O16 -","4","1","","Timo Hatanpää; Jarno Kansikas; Ilpo Mutikainen; Markku Leskelä","Ancillary Ligand Effect on the Properties of ""Mg(thd)2"" and Crystal Structures of [Mg(thd)2(ethylenediamine)]2, [Mg(thd)2(tmeda)], and [Mg(thd)2(trien)]1","Inorganic Chemistry","2001","40","","788","794","10.1021/ic000310i","","","0.71073","MoKα","","0.1135","0.0746","","","0.1975","0.2163","","","","","","0.933","","","","has coordinates,has disorder","179272","2020-10-21","18:00:00","" "4319226","15.246","0.003","10.85","0.002","20.882","0.004","90","","105.06","0.03","90","","3335.6","1.2","193","2","193","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","bis(2,2,6,6-tetramethyl-3,5-heptanedionate)magnesium(II) (triethylenetetramine)","bis(2,2,6,6-tetramethyl-3,5-heptanedionate)magnesium(II) (triethylenetetramine)","","- C28 H56 Mg N4 O4 -","- C28 H56 Mg N4 O4 -","- C112 H224 Mg4 N16 O16 -","4","1","","Timo Hatanpää; Jarno Kansikas; Ilpo Mutikainen; Markku Leskelä","Ancillary Ligand Effect on the Properties of ""Mg(thd)2"" and Crystal Structures of [Mg(thd)2(ethylenediamine)]2, [Mg(thd)2(tmeda)], and [Mg(thd)2(trien)]1","Inorganic Chemistry","2001","40","","788","794","10.1021/ic000310i","","","0.71073","MoKα","","0.1712","0.111","","","0.3076","0.3638","","","","","","0.903","","","","has coordinates,has disorder","179272","2020-10-21","18:00:00","" "4319227","24.305","0.005","11.247","0.005","9.57","0.005","90","0.005","100","0.005","90","0.005","2576.3","1.8","193","2","193","2","","","","","","","","4","C 1 2 1","C 2y","5","Bis(2,2,6,6-tetramethyl-3,5-heptanedionate)magnesium(II)(ethyleneglycol)","Bis(2,2,6,6-tetramethyl-3,5-heptanedionate)magnesium(II)(1,2-ethanediol)","","- C24 H44 Mg O6 -","- C24 H44 Mg O6 -","- C96 H176 Mg4 O24 -","4","1","","Timo Hatanpää; Jarno Kansikas; Ilpo Mutikainen; Markku Leskelä","Ancillary Ligand Effect on the Properties of ""Mg(thd)2"" and Crystal Structures of [Mg(thd)2(ethylenediamine)]2, [Mg(thd)2(tmeda)], and [Mg(thd)2(trien)]1","Inorganic Chemistry","2001","40","","788","794","10.1021/ic000310i","","","0.71073","MoKα","","0.2005","0.1439","","","0.3526","0.4048","","","","","","1.291","","","","has coordinates","270822","2021-11-23","08:36:48","" "4319228","8.916","0.001","8.916","0.001","8.916","0.001","90","","90","","90","","708.78","0.14","173","2","173","2","","","","","","","","3","F m -3 m","-F 4 2 3","225","","Tripotassium Tungsten(III) Hexafluoride","","- F6 K3 W -","- F6 K3 W -","- F24 K12 W4 -","4","0.0208333","","Sven E. Eklund; James Q. Chambers; Gleb Mamantov; Jon Diminnie; Craig E. Barnes","Tungsten Fluorides: Syntheses and Electrochemical Characterization in the FLINAK Molten Salt Eutectic","Inorganic Chemistry","2001","40","","715","722","10.1021/ic000491o","","","0.71073","MoKα","","","0.0465","","","","0.1381","","","","","","1.275","","","","has coordinates","179272","2020-10-21","18:00:00","" "4319229","9.8","0.002","5.736","0.0011","11.723","0.002","90","","90","","90","","659","0.2","293","2","293","2","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- F7 K2 W -","- F7 K2 W -","- F28 K8 W4 -","4","0.5","","Sven E. Eklund; James Q. Chambers; Gleb Mamantov; Jon Diminnie; Craig E. Barnes","Tungsten Fluorides: Syntheses and Electrochemical Characterization in the FLINAK Molten Salt Eutectic","Inorganic Chemistry","2001","40","","715","722","10.1021/ic000491o","","","0.71073","MoKα","","0.0539","0.0388","","","0.0882","0.0964","","","","","","1.113","","","","has coordinates","179272","2020-10-21","18:00:00","" "4319230","9.393","0.001","15.856","0.002","19.268","0.003","84.6","0.02","89.36","0.03","89.31","0.03","2856.6","0.7","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C44 H74 In2 Ni4 O4 Si6 -","- C44 H74 In2 Ni4 O4 Si6 -","- C88 H148 In4 Ni8 O8 Si12 -","2","1","","Werner Uhl; Sandra Melle; Gernot Frenking; Michael Hartmann","Reaction of Ni2Cp2(μ-CO)2 with the Alkylgallium(I) and Alkylindium(I) Compounds E4[C(SiMe3)3]4 (E = Ga, In). Insertion of E-R Groups into the Ni-Ni Bond versus Replacement of CO by the Isolobal E-R Ligands","Inorganic Chemistry","2001","40","","750","755","10.1021/ic0005947","","","0.71073","MoKα","","0.0497","0.0403","","0.0769","0.075","","","","2.827","2.987","2.987","","","","","has coordinates,has disorder","179272","2020-10-21","18:00:00","" "4319231","9.38","0.001","16.678","0.002","13.689","0.002","90","","95.61","0.02","90","","2131.2","0.5","213","","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C30 H64 In2 Ni2 Si6 -","- C30 H64 In2 Ni2 Si6 -","- C60 H128 In4 Ni4 Si12 -","2","1","","Werner Uhl; Sandra Melle; Gernot Frenking; Michael Hartmann","Reaction of Ni2Cp2(μ-CO)2 with the Alkylgallium(I) and Alkylindium(I) Compounds E4[C(SiMe3)3]4 (E = Ga, In). Insertion of E-R Groups into the Ni-Ni Bond versus Replacement of CO by the Isolobal E-R Ligands","Inorganic Chemistry","2001","40","","750","755","10.1021/ic0005947","","","0.71073","MoKα","","0.0509","0.0457","","0.0977","0.0969","","","","2.059","2.151","2.151","","","","","has coordinates","179272","2020-10-21","18:00:00","" "4319232","13.914","0.003","17.073","0.003","18.49","0.004","90","","106.89","0.03","90","","4202.9","1.6","293","2","213","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C30 H64 Ga2 Ni2 Si6 -","- C30 H64 Ga2 Ni2 Si6 -","- C120 H256 Ga8 Ni8 Si24 -","4","1","","Werner Uhl; Sandra Melle; Gernot Frenking; Michael Hartmann","Reaction of Ni2Cp2(μ-CO)2 with the Alkylgallium(I) and Alkylindium(I) Compounds E4[C(SiMe3)3]4 (E = Ga, In). Insertion of E-R Groups into the Ni-Ni Bond versus Replacement of CO by the Isolobal E-R Ligands","Inorganic Chemistry","2001","40","","750","755","10.1021/ic0005947","","","0.71073","MoKα","","0.0373","0.0263","","","0.0786","0.0883","","","","","","0.668","","","","has coordinates,has disorder","179272","2020-10-21","18:00:00","" "4319233","10.4156","0.0015","7.3421","0.0009","15.613","0.002","90","","101.525","0.017","90","","1169.9","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C8 H14 Cl2 N2 Pt -","- C8 H14 Cl2 N2 Pt -","- C32 H56 Cl8 N8 Pt4 -","4","1","","Masihul Hasan; Ivan V. Kozhevnikov; M. Rafiq H. Siddiqui; Cristina Femoni; Alexander Steiner; Neil Winterton","N,N'-Dialkylimidazolium Chloroplatinate(II), Chloroplatinate(IV), and Chloroiridate(IV) Salts and an N-Heterocyclic Carbene Complex of Platinum(II): Synthesis in Ionic Liquids and Crystal Structures","Inorganic Chemistry","2001","40","","795","800","10.1021/ic000606o","","","0.71073","MoKα","","0.0527","0.0336","","","0.0693","0.0718","","","","","","0.854","","","","has coordinates","179272","2020-10-21","18:00:00","" "4319234","9.0773","0.0018","15.102","0.003","9.709","0.0019","90","","97.87","0.03","90","","1318.4","0.5","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C8 H14 Br3 Cu N2 -","- C8 H14 Br3 Cu N2 -","- C32 H56 Br12 Cu4 N8 -","4","1","","Salim Haddad; Roger D. Willett","Dimeric Cu(I) Bromide Species Consisting of Two Edge-Shared Tetrahedra: Crystal Structure of (C8H14N2)2Cu2Br6","Inorganic Chemistry","2001","40","","809","811","10.1021/ic000672q","","","0.71073","MoKα","","0.0416","0.0373","","","0.1157","0.1219","","","","","","1.04","","","","has coordinates","179272","2020-10-21","18:00:00","" "4319235","16.1379","0.0006","18.6602","0.0007","26.8098","0.001","90","","95.688","0.001","90","","8033.7","0.5","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C16 Bi7 Cu I19 O12 -","- C16 Bi7 Cu1.042 I19 O12 -","- C64 Bi28 Cu4.168 I76 O48 -","4","1","","Claus Feldmann","CuBi7I19(C4H8O3H)3(C4H8O3H2), a Novel Complex Bismuth Iodide Containing One-Dimensional [CuBi5I19]3-Chains","Inorganic Chemistry","2001","40","","818","819","10.1021/ic000713i","","","0.71073","MoKα","","0.1069","0.0543","","","0.1576","0.1827","","","","","","0.939","","","","has coordinates","176467","2020-10-21","18:00:00","" "4319236","9.6932","0.0005","21.4518","0.0012","21.1781","0.0012","90","","97.866","0.001","90","","4362.3","0.4","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C32 H52 Ba2 N4 O18 S4 -","- C30.8 H45.6 Ba2 N4 O17.4 S4 -","- C123.2 H182.4 Ba8 N16 O69.6 S16 -","4","1","","Joanne O. Yu; Adrien P. Côté; Gary D. Enright; George K. H. Shimizu","The First Nonlayered Metal Sulfonate Structure: a 1-D Ba2+ Network Incorporating Hydrophobic Channels","Inorganic Chemistry","2001","40","","582","583","10.1021/ic000733k","","","0.71073","MoKα","","0.1106","0.0541","","","0.1211","0.1393","","","","","","0.98","","","","has coordinates","189193","2020-10-21","18:00:00","" "4319237","14.554","0.003","7.1901","0.0012","10.369","0.002","90","","90","","90","","1085.1","0.4","102","2","102","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C4 H12 Cu N8 Pt -","- C4 H12 Cu N8 Pt -","- C16 H48 Cu4 N32 Pt4 -","4","0.5","","Inmaculada Escorihuela; Larry R. Falvello; Milagros Tomás","An Extremly Bent Cyanide Bridge in Crystals of [(CN)3Pt(μ-CN)Cu(NH3)4]. Influence of Electrostatic Forces on the Nature and Geometry of Bridging Cyanides in the Solid State","Inorganic Chemistry","2001","40","","636","640","10.1021/ic000734c","","","0.71073","MoKα","","0.0323","0.0287","","","0.0701","0.0719","","","","","","1.09","","","","has coordinates","179272","2020-10-21","18:00:00","" "4319238","14.5091","0.001","7.2739","0.0004","10.457","0.0007","90","","90","","90","","1103.61","0.12","233","2","233","1","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C4 H12 Cu N8 Pt -","- C4 H12 Cu N8 Pt -","- C16 H48 Cu4 N32 Pt4 -","4","0.5","","Inmaculada Escorihuela; Larry R. Falvello; Milagros Tomás","An Extremly Bent Cyanide Bridge in Crystals of [(CN)3Pt(μ-CN)Cu(NH3)4]. Influence of Electrostatic Forces on the Nature and Geometry of Bridging Cyanides in the Solid State","Inorganic Chemistry","2001","40","","636","640","10.1021/ic000734c","","","0.71073","MoKα","","0.0385","0.0319","","","0.0812","0.0849","","","","","","1.069","","","","has coordinates","179272","2020-10-21","18:00:00","" "4319239","8.128","0.0012","9.7037","0.0015","7.0722","0.0012","90","","90","","90","","557.8","0.15","153","2","153","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","N,N-Dimethyl-O-germyl-hydroxylamine","","- C2 H9 Ge N O -","- C2 H9 Ge N O -","- C8 H36 Ge4 N4 O4 -","4","0.5","","Norbert W. Mitzel; Udo Losehand; Sarah L. Hinchley; David W. H. Rankin","Synthesis, Decomposition, and Structural Studies in the Gas Phase and Solid State of N,N-Dimethylaminoxygermane","Inorganic Chemistry","2001","40","","661","666","10.1021/ic0007409","","","0.71073","MoKα","","0.0285","0.0249","","","0.062","0.0638","","","","","","1.088","","","","has coordinates","179272","2020-10-21","18:00:00","" "4319240","22.389","0.006","22.104","0.003","25.505","0.005","90","","95.69","0.015","90","","12560","5","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C68.92 H152.46 N6.46 O62.54 S2 W18 -","- C68.92 N6.46 O62.5648 S2.0008 W18.0072 -","- C275.68 N25.84 O250.259 S8.0032 W72.0288 -","4","0.5","","Peter J. S. Richardt; Robert W. Gable; Alan M. Bond; Anthony G. Wedd","Synthesis and Redox Characterization of the Polyoxo Anion, γ*-[S2W18O62]4-: A Unique Fast Oxidation Pathway Determines the Characteristic Reversible Electrochemical Behavior of Polyoxometalate Anions in Acidic Media","Inorganic Chemistry","2001","40","","703","709","10.1021/ic000793q","","","0.71073","MoKα","","0.1004","0.0552","","","0.1356","0.1483","","","","","","1.035","","","","has coordinates,has disorder","179272","2020-10-21","18:00:00","" "4319241","12.0411","0.0002","14.9791","0.0002","16.0567","0.0003","71.301","0.001","69.785","0.001","66.539","0.001","2436.01","0.07","298","2","298","2","","","","","","","","8","P -1","-P 1","2","","","","- C15.5 H13 B Cu0.5 F9 K N6 O1.5 -","- C15.5 H13 B Cu0.5 F9 K N6 O1.5 -","- C62 H52 B4 Cu2 F36 K4 N24 O6 -","4","2","","Zhengbo Hu; Sergiu M. Gorun","Synthesis and Characterization of Fluorinated Tris(pyrazolyl)borate Complexes. Observation of an (η5-Pyrazole)-K+ Interaction in the Solid State","Inorganic Chemistry","2001","40","","667","671","10.1021/ic000860g","","","0.71073","MoKα","","0.0792","0.0461","","0.1397","0.1149","","","","1.05","1.088","1.088","","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00","" "4319242","14.1931","0.0002","8.93","0.0001","19.136","","90","","99.087","0.001","90","","2394.94","0.04","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C17 H16 B Cu F9 N6 O2 -","- C17 H16 B Cu F9 N6 O2 -","- C68 H64 B4 Cu4 F36 N24 O8 -","4","1","","Zhengbo Hu; Sergiu M. Gorun","Synthesis and Characterization of Fluorinated Tris(pyrazolyl)borate Complexes. Observation of an (η5-Pyrazole)-K+ Interaction in the Solid State","Inorganic Chemistry","2001","40","","667","671","10.1021/ic000860g","","","0.71073","MoKα","","0.0672","0.0388","","0.1058","0.0928","","","","0.973","1.04","1.04","","","","","has coordinates,has disorder","179272","2020-10-21","18:00:00","" "4319243","10.7152","0.0002","11.1235","0.0002","12.2161","0.0002","73.765","0.001","83.073","0.001","64.846","0.001","1265.41","0.04","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C17 H16 B F9 K N7 -","- C17 H16 B F9 K N7 -","- C34 H32 B2 F18 K2 N14 -","2","1","","Zhengbo Hu; Sergiu M. Gorun","Synthesis and Characterization of Fluorinated Tris(pyrazolyl)borate Complexes. Observation of an (η5-Pyrazole)-K+ Interaction in the Solid State","Inorganic Chemistry","2001","40","","667","671","10.1021/ic000860g","","","0.71073","MoKα","","0.0868","0.0554","","0.1422","0.1266","","","","1.049","1.146","1.146","","","","","has coordinates,has disorder","179272","2020-10-21","18:00:00","" "4319244","26.744","0.002","26.744","0.002","12.1309","0.0015","90","","90","","120","","7514.1","1.2","173","2","173","2","","","","","","","","6","P 63","P 6c","173","","","","- Cs0.33 K4.67 Mn O52 Si W11 -","- Cs0.333333 K4.67 Mn O52 Si W11 -","- Cs2 K28.02 Mn6 O312 Si6 W66 -","6","1","","Ulrich Kortz; Salim Matta","Novel, Trimeric Mn-Substituted Undecatungstosilicate, [(β~2~-SiW~11~MnO~38~OH)~3~]^15-^","Inorganic Chemistry","2001","40","","815","817","10.1021/ic000950l","","","0.71073","MoKα","","0.076","0.0501","","","0.1263","0.1465","","","","","","1.074","","","","has coordinates","179272","2020-10-21","18:00:00","" "4319245","17.034","0.007","11.534","0.005","19.534","0.004","90","","108.49","0.06","90","","3640","3","150","","150","","","","","","","","L2 + [Ti(N-t-Bu)Cl2(py)3]","5","P 1 21/n 1","-P 2yn","14","","[Ti(N-t-Bu)(L2)Cl]Cl","","- C25 H47 Cl8 N5 Ti -","- C25 H47 Cl8 N5 Ti -","- C100 H188 Cl32 N20 Ti4 -","4","1","","Jonathan D. Gardner; David A. Robson; Leigh H. Rees; Philip Mountford","Titanium tert-Butyl- and Trimethylsilyl-imido Complexes with Monopendant Arm Triazacyclononane Ligands","Inorganic Chemistry","2001","40","","820","824","10.1021/ic0009728","","","0.71069","MoKα","","","0.0523","","","","0.0539","","","","","","1.0808","","","","has coordinates","179272","2020-10-21","18:00:00","" "4319246","11","0.004","14.735","0.003","24.752","0.009","90","","103.128","0.006","90","","3907","2","150","","150","","","","","","","","[Ti(NSiMe3)Cl2]8 + KL1","7","P 1 21/c 1","-P 2ybc","14","","[Ti(NSiMe3)(L1)Cl]","","- C34 H67 Cl N4 O2 Si Ti -","- C34 H67 Cl N4 O2 Si Ti -","- C136 H268 Cl4 N16 O8 Si4 Ti4 -","4","1","","Jonathan D. Gardner; David A. Robson; Leigh H. Rees; Philip Mountford","Titanium tert-Butyl- and Trimethylsilyl-imido Complexes with Monopendant Arm Triazacyclononane Ligands","Inorganic Chemistry","2001","40","","820","824","10.1021/ic0009728","","","0.71069","mokα","","","0.0603","","","","0.058","","","","","","1.051","","","","has coordinates","189850","2020-10-21","18:00:00","" "4319247","9.4579","0.0008","31.247","0.003","13.772","0.0018","90","","108.497","0.002","90","","3859.8","0.7","153","","153","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C40 H48 O4 S4 -","- C40 H48 O4 S4 -","- C160 H192 O16 S16 -","4","1","","Alexander Bilyk; Annegret K. Hall; Jack M. Harrowfield; M. Wais Hosseini; Brian W. Skelton; Allan H. White","Systematic Structural Coordination Chemistry of p-tert-Butyltetrathiacalix[4]arene: 1. Group 1 Elements and Congeners","Inorganic Chemistry","2001","40","","672","686","10.1021/ic001008c","","","0.71073","MoKα","","0.069","0.045","","0.059","","0.055","","","1.364","","","1.492","","","","has coordinates","176432","2020-10-21","18:00:00","" "4319248","15.824","0.007","15.824","0.007","17.383","0.009","90","","90","","90","","4353","4","293","","293","","","","","","","","","5","P 4/n c c :2","-P 4a 2ac","130","","","","- C41 H49 Cl3 O4 S4 -","- C41 H49 Cl3 O4 S4 -","- C164 H196 Cl12 O16 S16 -","4","0.25","","Alexander Bilyk; Annegret K. Hall; Jack M. Harrowfield; M. Wais Hosseini; Brian W. Skelton; Allan H. White","Systematic Structural Coordination Chemistry of p-tert-Butyltetrathiacalix[4]arene: 1. Group 1 Elements and Congeners","Inorganic Chemistry","2001","40","","672","686","10.1021/ic001008c","","","0.71073","MoKα","","0.141","0.073","","0.114","","0.088","","","1.664","","","2.035","","","","has coordinates","176432","2020-10-21","18:00:00","" "4319249","13.095","0.002","13.095","0.002","12.887","0.002","90","","90","","90","","2209.9","0.6","153","","153","","","","","","","","","5","P 4/n :2","-P 4a","85","","","","- C45 H53 N O4 S4 -","- C45 H53 N O4 S4 -","- C90 H106 N2 O8 S8 -","2","0.25","","Alexander Bilyk; Annegret K. Hall; Jack M. Harrowfield; M. Wais Hosseini; Brian W. Skelton; Allan H. White","Systematic Structural Coordination Chemistry of p-tert-Butyltetrathiacalix[4]arene: 1. Group 1 Elements and Congeners","Inorganic Chemistry","2001","40","","672","686","10.1021/ic001008c","","","0.71073","MoKα","","0.063","0.047","","0.058","","0.054","","","1.209","","","1.283","","","","has coordinates","176432","2020-10-21","18:00:00","" "4319250","12.019","0.001","13.662","0.002","19.499","0.002","69.605","0.002","76.401","0.002","88.831","0.002","2910.3","0.6","153","","153","","","","","","","","","5","P -1","-P 1","2","","","","- C56 H82 Li2 O10 S4 -","- C56 H82 Li2 O10 S4 -","- C112 H164 Li4 O20 S8 -","2","1","","Alexander Bilyk; Annegret K. Hall; Jack M. Harrowfield; M. Wais Hosseini; Brian W. Skelton; Allan H. White","Systematic Structural Coordination Chemistry of p-tert-Butyltetrathiacalix[4]arene: 1. Group 1 Elements and Congeners","Inorganic Chemistry","2001","40","","672","686","10.1021/ic001008c","","","0.71073","MoKα","","0.051","0.042","","0.055","","0.052","","","1.157","","","1.198","","","","has coordinates","176432","2020-10-21","18:00:00","" "4319251","13.259","0.002","22.178","0.004","20.527","0.004","90","","105.5","0.003","90","","5816.6","1.8","153","","153","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C56 H81 Na O9 S4 -","- C56 H79 Na O9 S4 -","- C224 H316 Na4 O36 S16 -","4","1","","Alexander Bilyk; Annegret K. Hall; Jack M. Harrowfield; M. Wais Hosseini; Brian W. Skelton; Allan H. White","Systematic Structural Coordination Chemistry of p-tert-Butyltetrathiacalix[4]arene: 1. Group 1 Elements and Congeners","Inorganic Chemistry","2001","40","","672","686","10.1021/ic001008c","","","0.71073","MoKα","","0.1","0.073","","0.09","","0.085","","","1.486","","","1.66","","","","has coordinates","176432","2020-10-21","18:00:00","" "4319252","17.141","0.001","17.837","0.001","31.983","0.002","90","","90","","90","","9778.6","1","153","","153","","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C90 H124 K2 O13 S8 -","- C90 H124 K2 O13 S8 -","- C360 H496 K8 O52 S32 -","4","0.5","","Alexander Bilyk; Annegret K. Hall; Jack M. Harrowfield; M. Wais Hosseini; Brian W. Skelton; Allan H. White","Systematic Structural Coordination Chemistry of p-tert-Butyltetrathiacalix[4]arene: 1. Group 1 Elements and Congeners","Inorganic Chemistry","2001","40","","672","686","10.1021/ic001008c","","","0.71073","MoKα","","0.097","0.08","","0.094","","0.086","","","1.345","","","1.875","","","","has coordinates","176432","2020-10-21","18:00:00","" "4319253","12.062","0.003","13.24","0.003","16.225","0.004","106.402","0.003","100.973","0.003","110.412","0.003","2206.1","0.9","153","","153","","","","","","","","","5","P -1","-P 1","2","","","","- C46 H62 N O4 S4 -","- C46 H62 N O4 S4 -","- C92 H124 N2 O8 S8 -","2","1","","Alexander Bilyk; Annegret K. Hall; Jack M. Harrowfield; M. Wais Hosseini; Brian W. Skelton; Allan H. White","Systematic Structural Coordination Chemistry of p-tert-Butyltetrathiacalix[4]arene: 1. Group 1 Elements and Congeners","Inorganic Chemistry","2001","40","","672","686","10.1021/ic001008c","","","0.71073","MoKα","","0.137","0.089","","0.106","","0.103","","","1.514","","","2.072","","","","has coordinates","176432","2020-10-21","18:00:00","" "4319254","11.564","0.002","13.54","0.002","17.513","0.002","76.458","0.002","85.406","0.002","67.599","0.002","2464.6","0.6","153","","153","","","","","","","","","5","P -1","-P 1","2","","","","- C49 H70 N2 O5 S4 -","- C49 H70 N2 O5 S4 -","- C98 H140 N4 O10 S8 -","2","1","","Alexander Bilyk; Annegret K. Hall; Jack M. Harrowfield; M. Wais Hosseini; Brian W. Skelton; Allan H. White","Systematic Structural Coordination Chemistry of p-tert-Butyltetrathiacalix[4]arene: 1. Group 1 Elements and Congeners","Inorganic Chemistry","2001","40","","672","686","10.1021/ic001008c","","","0.71073","MoKα","","0.055","0.041","","0.053","","0.051","","","1.537","","","1.678","","","","has coordinates","176432","2020-10-21","18:00:00","" "4319255","14.46","0.001","16.153","0.002","21.147","0.002","90","","96.025","0.002","90","","4912.1","0.8","150","","150","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C48 H69 N O5 S5 -","- C48 H69 N O5 S5 -","- C192 H276 N4 O20 S20 -","4","1","","Alexander Bilyk; Annegret K. Hall; Jack M. Harrowfield; M. Wais Hosseini; Brian W. Skelton; Allan H. White","Systematic Structural Coordination Chemistry of p-tert-Butyltetrathiacalix[4]arene: 1. Group 1 Elements and Congeners","Inorganic Chemistry","2001","40","","672","686","10.1021/ic001008c","","","0.71073","MoKα","","0.064","0.04","","0.051","","0.047","","","1.19","","","1.306","","","","has coordinates","176432","2020-10-21","18:00:00","" "4319256","12.241","0.001","21.684","0.002","21.685","0.003","110.308","0.002","103.14","0.002","93.445","0.002","5195.6","1","153","","153","","","","","","","","","6","P -1","-P 1","2","","","","- C193 H267 N11 O28 Rb4 S16 -","- C193 H253 N11 O28 Rb4 S16 -","- C193 H253 N11 O28 Rb4 S16 -","1","0.5","","Alexander Bilyk; Annegret K. Hall; Jack M. Harrowfield; M. Wais Hosseini; Brian W. Skelton; Allan H. White","Systematic Structural Coordination Chemistry of p-tert-Butyltetrathiacalix[4]arene: 1. Group 1 Elements and Congeners","Inorganic Chemistry","2001","40","","672","686","10.1021/ic001008c","","","0.71073","MoKα","","0.179","0.081","","0.119","","0.082","","","1.473","","","1.516","","","","has coordinates","176432","2020-10-21","18:00:00","" "4319257","28.391","0.002","31.018","0.003","22.302","0.003","90","","90","","90","","19640","4","153","","153","","","","","","","","","6","P c c n","-P 2ab 2ac","56","","","","- C181 H246 Cs3 N7 O27 S16 -","- C181 H237 Cs3 N7 O27 S16 -","- C724 H948 Cs12 N28 O108 S64 -","4","0.5","","Alexander Bilyk; Annegret K. Hall; Jack M. Harrowfield; M. Wais Hosseini; Brian W. Skelton; Allan H. White","Systematic Structural Coordination Chemistry of p-tert-Butyltetrathiacalix[4]arene: 1. Group 1 Elements and Congeners","Inorganic Chemistry","2001","40","","672","686","10.1021/ic001008c","","","0.71073","MoKα","","0.111","0.058","","0.102","","0.063","","","2.112","","","1.676","","","","has coordinates","176432","2020-10-21","18:00:00","" "4319258","12.0501","0.0011","14.9688","0.0019","15.0781","0.0016","113.147","0.012","107.75","0.008","90.337","0.01","2357.1","0.5","233","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C18 H32 Mo N O2 S4 -","- C18 H32 Mo N O2 S4 -","- C72 H128 Mo4 N4 O8 S16 -","4","2","","Dmitry V. Fomitchev; Booyong S. Lim; R. H. Holm","Electron Distribution in the Nonclassical Bis(dithiolene) Electron Transfer Series [M(CO)2(S2C2Me2)2]0/1-/2- (M = Mo, W): Assessment by Structural, Spectroscopic, and Density Functional Theory Results","Inorganic Chemistry","2001","40","","645","654","10.1021/ic001046w","","","0.71073","MoKα","","0.0605","0.0363","","","0.0802","0.0883","","","","","","1.008","","","","has coordinates","179272","2020-10-21","18:00:00","" "4319259","14.3994","0.0013","13.8728","0.0012","18.0505","0.0016","90","","113.35","0.001","90","","3310.5","0.5","233","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C26 H52 Mo N2 O2 S4 -","- C26 H52 Mo N2 O2 S4 -","- C104 H208 Mo4 N8 O8 S16 -","4","1","","Dmitry V. Fomitchev; Booyong S. Lim; R. H. Holm","Electron Distribution in the Nonclassical Bis(dithiolene) Electron Transfer Series [M(CO)2(S2C2Me2)2]0/1-/2- (M = Mo, W): Assessment by Structural, Spectroscopic, and Density Functional Theory Results","Inorganic Chemistry","2001","40","","645","654","10.1021/ic001046w","","","0.71073","MoKα","","0.0619","0.0344","","","0.0711","0.0796","","","","","","1.004","","","","has coordinates","179272","2020-10-21","18:00:00","" "4319260","15.035","0.003","11.996","0.002","26.302","0.005","90","","96.58","0.03","90","","4712.6","1.5","233","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C18 H32 N O2 S4 W -","- C18 H32 N O2 S4 W -","- C144 H256 N8 O16 S32 W8 -","8","2","","Dmitry V. Fomitchev; Booyong S. Lim; R. H. Holm","Electron Distribution in the Nonclassical Bis(dithiolene) Electron Transfer Series [M(CO)2(S2C2Me2)2]0/1-/2- (M = Mo, W): Assessment by Structural, Spectroscopic, and Density Functional Theory Results","Inorganic Chemistry","2001","40","","645","654","10.1021/ic001046w","","","0.71073","MoKα","","0.0657","0.0438","","","0.099","0.1106","","","","","","1.031","","","","has coordinates","179272","2020-10-21","18:00:00","" "4319261","14.4185","0.001","13.8166","0.001","18.0792","0.0016","90","","113.472","0.001","90","","3303.6","0.4","233","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C26 H52 N2 O2 S4 W -","- C26 H52 N2 O2 S4 W -","- C104 H208 N8 O8 S16 W4 -","4","1","","Dmitry V. Fomitchev; Booyong S. Lim; R. H. Holm","Electron Distribution in the Nonclassical Bis(dithiolene) Electron Transfer Series [M(CO)2(S2C2Me2)2]0/1-/2- (M = Mo, W): Assessment by Structural, Spectroscopic, and Density Functional Theory Results","Inorganic Chemistry","2001","40","","645","654","10.1021/ic001046w","","","0.71073","MoKα","","0.0468","0.033","","","0.0875","0.105","","","","","","1.134","","","","has coordinates","179272","2020-10-21","18:00:00","" "4319262","15.7148","0.0008","12.7621","0.0007","18.5212","0.001","90","","103.517","0.001","90","","3611.6","0.3","233","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H58 Mo N2 S6 -","- C28 H58 Mo N2 S6 -","- C112 H232 Mo4 N8 S24 -","4","1","","Dmitry V. Fomitchev; Booyong S. Lim; R. H. Holm","Electron Distribution in the Nonclassical Bis(dithiolene) Electron Transfer Series [M(CO)2(S2C2Me2)2]0/1-/2- (M = Mo, W): Assessment by Structural, Spectroscopic, and Density Functional Theory Results","Inorganic Chemistry","2001","40","","645","654","10.1021/ic001046w","","","0.71073","MoKα","","0.0906","0.0546","","","0.1253","0.1444","","","","","","1.009","","","","has coordinates","179272","2020-10-21","18:00:00","" "4319263","9.6566","0.0014","23.791","0.003","13.4302","0.0019","90","","106.096","0.012","90","","2964.5","0.7","233","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C22 H41 N2 S6 W -","- C22 H41 N2 S6 W -","- C88 H164 N8 S24 W4 -","4","1","","Dmitry V. Fomitchev; Booyong S. Lim; R. H. Holm","Electron Distribution in the Nonclassical Bis(dithiolene) Electron Transfer Series [M(CO)2(S2C2Me2)2]0/1-/2- (M = Mo, W): Assessment by Structural, Spectroscopic, and Density Functional Theory Results","Inorganic Chemistry","2001","40","","645","654","10.1021/ic001046w","","","0.71073","MoKα","","0.0453","0.0418","","","0.1038","0.1059","","","","","","1.044","","","","has coordinates,has disorder","179272","2020-10-21","18:00:00","" "4319264","15.7642","0.0017","12.6922","0.0013","18.4816","0.0019","90","","104.037","0.002","90","","3587.4","0.6","233","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H58 N2 S6 W -","- C28 H58 N2 S6 W -","- C112 H232 N8 S24 W4 -","4","1","","Dmitry V. Fomitchev; Booyong S. Lim; R. H. Holm","Electron Distribution in the Nonclassical Bis(dithiolene) Electron Transfer Series [M(CO)2(S2C2Me2)2]0/1-/2- (M = Mo, W): Assessment by Structural, Spectroscopic, and Density Functional Theory Results","Inorganic Chemistry","2001","40","","645","654","10.1021/ic001046w","","","0.71073","MoKα","","0.0602","0.0415","","","0.0961","0.1135","","","","","","1.117","","","","has coordinates","179272","2020-10-21","18:00:00","" "4319265","8.748","0.002","13.575","0.003","23.378","0.005","90","","94.81","0.03","90","","2766.5","1.1","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C22 H28 N8 Ni2 S4 -","- C22 H28 N8 Ni2 S4 -","- C88 H112 N32 Ni8 S16 -","4","1","","Sami Mukhopadhyay; Uday Mukhopadhyay; Thomas C. W. Mak; Debashis Ray","Bis(3,5-dimethylpyrazole-1-carbodithioato) Nickel(II) and Its Transformation to a Dinuclear Complex: Crystal Structure of [Ni2(μ-3,5-Me2Pz)2(L1)2] (L1= 3,5-dimethylpyrazole-1-carbodithioate)","Inorganic Chemistry","2001","40","","1057","1059","10.1021/ic000138i","","","0.71073","MoKα","","0.1699","0.0843","","0.3274","0.201","","","","1.45","1.543","1.543","","","","","has coordinates","179272","2020-10-21","18:00:00","" "4319266","10.591","0.0006","13.081","0.0007","16.969","0.0009","81.281","0.003","86.746","0.003","74.504","0.003","2238.9","0.2","153","2","153","2","","","","","","","","7","P -1","-P 1","2","","","","- C44 H49 B F15 N Si Zr -","- C38 H35 B F15 N Si Zr -","- C76 H70 B2 F30 N2 Si2 Zr2 -","2","1","","Gregory S. Hair; Richard A. Jones; Alan H. Cowley; Vincent Lynch","Group 4 Zwitterionic Metallocenes Based upon the Bridged Amido-Cyclopentadienyl Ligand and Coordinated Dienes","Inorganic Chemistry","2001","40","","1014","1019","10.1021/ic000293x","","","0.7107","MoKα","","0.1313","0.0753","","0.1668","0.1459","","","","1.122","1.259","1.259","","","","","has coordinates,has disorder","179272","2020-10-21","18:00:00","" "4319267","12.045","0.0007","12.381","0.0006","15.233","0.001","73.468","0.004","69.22","0.003","65.407","0.003","1906","0.2","153","2","153","2","","","","","","","","7","P -1","-P 1","2","","","","- C39 H37 B F15 N Si Ti -","- C39 H37 B F15 N Si Ti -","- C78 H74 B2 F30 N2 Si2 Ti2 -","2","1","","Gregory S. Hair; Richard A. Jones; Alan H. Cowley; Vincent Lynch","Group 4 Zwitterionic Metallocenes Based upon the Bridged Amido-Cyclopentadienyl Ligand and Coordinated Dienes","Inorganic Chemistry","2001","40","","1014","1019","10.1021/ic000293x","","","0.71073","MoKα","","0.1406","0.0665","","0.1409","0.1094","","","","1.031","1.092","1.092","","","","","has coordinates","179272","2020-10-21","18:00:00","" "4319268","12.09","0.002","17.785","0.003","36.379","0.013","90","","90","","90","","7822","3","293","2","173","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C38 H35 Al F15 N Si Ti -","- C38 H35 Al F15 N Si Ti -","- C304 H280 Al8 F120 N8 Si8 Ti8 -","8","1","","Gregory S. Hair; Richard A. Jones; Alan H. Cowley; Vincent Lynch","Group 4 Zwitterionic Metallocenes Based upon the Bridged Amido-Cyclopentadienyl Ligand and Coordinated Dienes","Inorganic Chemistry","2001","40","","1014","1019","10.1021/ic000293x","","","0.71073","MoKα","","0.1252","0.0708","","0.1818","0.1511","","","","1.117","1.234","1.234","","","","","has coordinates","179272","2020-10-21","18:00:00","" "4319269","10.451","0.0003","12.995","0.0003","16.921","0.0005","80.372","0.0015","86.946","0.002","75.287","0.002","2191.25","0.11","153","2","153","2","","","","","","","","7","P -1","-P 1","2","","","","- C43 H44 B F15 N Si Ti -","- C37 H30 B F15 N Si Ti -","- C74 H60 B2 F30 N2 Si2 Ti2 -","2","1","","Gregory S. Hair; Richard A. Jones; Alan H. Cowley; Vincent Lynch","Group 4 Zwitterionic Metallocenes Based upon the Bridged Amido-Cyclopentadienyl Ligand and Coordinated Dienes","Inorganic Chemistry","2001","40","","1014","1019","10.1021/ic000293x","","","0.71073","MoKα","","0.0881","0.0729","","0.1861","0.1788","","","","1.163","1.24","1.24","","","","","has coordinates","179272","2020-10-21","18:00:00","" "4319270","10.496","0.002","11.4245","0.0018","14.129","0.003","101.759","0.009","101.022","0.014","94.454","0.013","1616","0.5","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C12 H23 N O2 Si2 -","- C12 H23 N O2 Si2 -","- C48 H92 N4 O8 Si8 -","4","2","","Vadapalli Chandrasekhar; Selvarajan Nagendran; Ramamoorthy Boomishankar; Raymond J. Butcher","Effect of Sterically Hindered Ligands on the Solid-State Structures of Organosilanediols Containing Si-N Bonds","Inorganic Chemistry","2001","40","","940","945","10.1021/ic000487c","","","0.71073","MoKα","","0.0836","0.0523","","","0.1165","0.1303","","","","","","1.032","","","","has coordinates,has disorder","179272","2020-10-21","18:00:00","" "4319271","27.744","0.005","12.806","0.003","34.244","0.008","90","","92.445","0.013","90","","12155","5","293","2","293","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C16 H31 N O2 Si2 -","- C16 H31 N O2 Si2 -","- C384 H744 N24 O48 Si48 -","24","6","","Vadapalli Chandrasekhar; Selvarajan Nagendran; Ramamoorthy Boomishankar; Raymond J. Butcher","Effect of Sterically Hindered Ligands on the Solid-State Structures of Organosilanediols Containing Si-N Bonds","Inorganic Chemistry","2001","40","","940","945","10.1021/ic000487c","","","0.71073","MoKα","","0.1888","0.0866","","","0.1953","0.2486","","","","","","0.991","","","","has coordinates","179272","2020-10-21","18:00:00","" "4319272","12.351","0.002","12.086","0.002","14.302","0.002","90","","90","","90","","2134.9","0.6","293","2","293","2","","","","","","","","5","C m c m","-C 2c 2","63","","","","- C16 H29 Cl2 N Si2 -","- C16 H29 Cl2 N Si2 -","- C64 H116 Cl8 N4 Si8 -","4","0.25","","Vadapalli Chandrasekhar; Selvarajan Nagendran; Ramamoorthy Boomishankar; Raymond J. Butcher","Effect of Sterically Hindered Ligands on the Solid-State Structures of Organosilanediols Containing Si-N Bonds","Inorganic Chemistry","2001","40","","940","945","10.1021/ic000487c","","","0.71073","MoKα","","0.1192","0.0724","","","0.2081","0.246","","","","","","1.023","","","","has coordinates,has disorder","179272","2020-10-21","18:00:00","" "4319273","10.773","0.0004","15.922","0.0006","18.708","0.0004","90","","103.294","0.002","90","","3122.95","0.18","150","","150","","","","","","","","Sublimation of [Ti(N-2,6-C6H3-i-Pr2){MeC(2-NC5H4)(CH2NSiMe3)2}(py)]","5","P 1 21/n 1","-P 2yn","14","","[{(2-NC5H4)CMe(CH2NSiMe3)2}Ti(N-2,6-C6H3-i-Pr2)]","","- C27 H46 N4 Si2 Ti -","- C27 H46 N4 Si2 Ti -","- C108 H184 N16 Si8 Ti4 -","4","1","","Alexander J. Blake; Philip E. Collier; Lutz H. Gade; Philip Mountford; Julian Lloyd; Stephen M. Pugh; Martin Schubart; Michael E. G. Skinner; Dominique J. M. Trösch","Group 4 Imido Complexes Stabilized by a Tridentate Diamido-Donor Ligand","Inorganic Chemistry","2001","40","","870","877","10.1021/ic0005644","","","0.71073","MoKα","","","0.0372","","","0.0404","","","","","1.041","1.041","","","","","has coordinates","288252","2023-12-12","14:26:24","" "4319274","9.535","0.003","10.125","0.003","15.948","0.003","90.63","0.03","106.61","0.03","105.4","0.02","1416.1","0.7","150","0.2","150","0.2","","","","","","","","5","P -1","-P 1","2","[{(2-C5H4N)CMe(CH2NSiMe3)2}Ti(Nt-Bu)(py)]","","","- C24 H43 N5 Si2 Ti -","- C24 H43 N5 Si2 Ti -","- C48 H86 N10 Si4 Ti2 -","2","1","","Alexander J. Blake; Philip E. Collier; Lutz H. Gade; Philip Mountford; Julian Lloyd; Stephen M. Pugh; Martin Schubart; Michael E. G. Skinner; Dominique J. M. Trösch","Group 4 Imido Complexes Stabilized by a Tridentate Diamido-Donor Ligand","Inorganic Chemistry","2001","40","","870","877","10.1021/ic0005644","","","0.71073","MoKα","","0.0494","0.0416","","0.1084","0.1011","","","","1.025","1.033","1.033","","","","","has coordinates","179272","2020-10-21","18:00:00","" "4319275","16.647","0.0008","11.551","0.0003","19.335","0.001","90","","106.248","0.002","90","","3569.4","0.3","150","","150","","","","","","","","Li2[MeC(2-NC5H4)(CH2NSiMe3)2] + [Zr(N-2,6-C6H3-i-Pr2)2(py)3] in C6H6. Recrystallised from hexane","5","P 1 21/c 1","-P 2ybc","14","","[{(2-NC5H4)CMe(CH2NSiMe3)2}Zr(N-2,6-C6H3-i-Pr2)(py)]","","- C32 H51 N5 Si2 Zr -","- C32 H51 N5 Si2 Zr -","- C128 H204 N20 Si8 Zr4 -","4","1","","Alexander J. Blake; Philip E. Collier; Lutz H. Gade; Philip Mountford; Julian Lloyd; Stephen M. Pugh; Martin Schubart; Michael E. G. Skinner; Dominique J. M. Trösch","Group 4 Imido Complexes Stabilized by a Tridentate Diamido-Donor Ligand","Inorganic Chemistry","2001","40","","870","877","10.1021/ic0005644","","","0.71069","MoKα","","","0.05","","","0.046","","","","","1.173","1.173","","","","","has coordinates","288252","2023-12-12","14:26:24","" "4319276","11.934","0.009","14.011","0.011","15.255","0.011","90","","90.39","0.06","90","","2551","3","220","1","220","1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","[{(2-NC5H4)CMe(CH2NSiMe3)2}Ti(N-t-Bu)]","","- C19 H38 N4 Si2 Ti -","- C19 H38 N4 Si2 Ti -","- C76 H152 N16 Si8 Ti4 -","4","1","","Alexander J. Blake; Philip E. Collier; Lutz H. Gade; Philip Mountford; Julian Lloyd; Stephen M. Pugh; Martin Schubart; Michael E. G. Skinner; Dominique J. M. Trösch","Group 4 Imido Complexes Stabilized by a Tridentate Diamido-Donor Ligand","Inorganic Chemistry","2001","40","","870","877","10.1021/ic0005644","","","0.71073","MoKα","","","0.1067","","","0.0847","","","","","1.1517","1.1517","","","","","has coordinates","211332","2020-10-21","18:00:00","" "4319277","19.7086","0.0016","17.3307","0.0014","22.5847","0.0018","90","","110.466","0.001","90","","7227.2","1","110","2","110","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C38 H40 Cl4 N2 O2 Zn -","- C38 H40 Cl4 N2 O2 Zn -","- C304 H320 Cl32 N16 O16 Zn8 -","8","1","","Donald J. Darensbourg; Patrick Rainey; Jason Yarbrough","Bis-Salicylaldiminato Complexes of Zinc. Examination of the Catalyzed Epoxide/CO2 Copolymerization","Inorganic Chemistry","2001","40","","986","993","10.1021/ic0006403","","","0.71073","MoKα","","0.0757","0.0622","","","0.1491","0.1601","","","","","","1.074","","","","has coordinates","179272","2020-10-21","18:00:00","" "4319278","10.3771","0.0013","17.444","0.002","19.524","0.002","90","","97.494","0.002","90","","3504","0.7","110","2","110","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C40 H50 N2 O2 Zn -","- C40 H48 N2 O2 Zn -","- C160 H192 N8 O8 Zn4 -","4","1","","Donald J. Darensbourg; Patrick Rainey; Jason Yarbrough","Bis-Salicylaldiminato Complexes of Zinc. Examination of the Catalyzed Epoxide/CO2 Copolymerization","Inorganic Chemistry","2001","40","","986","993","10.1021/ic0006403","","","0.71073","MoKα","","0.0752","0.0611","","","0.1484","0.159","","","","","","1.072","","","","has coordinates","179272","2020-10-21","18:00:00","" "4319279","11.1221","0.0008","14.6595","0.0011","22.4799","0.0016","90","","90.475","0.002","90","","3665.1","0.5","110","2","110","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C19 H21 Cl2 N O -","- C38 H42 Cl4 N2 O2 -","- C152 H168 Cl16 N8 O8 -","4","1","","Donald J. Darensbourg; Patrick Rainey; Jason Yarbrough","Bis-Salicylaldiminato Complexes of Zinc. Examination of the Catalyzed Epoxide/CO2 Copolymerization","Inorganic Chemistry","2001","40","","986","993","10.1021/ic0006403","","","0.71073","MoKα","","0.0886","0.0686","","","0.1625","0.1778","","","","","","0.943","","","","has coordinates","201982","2020-10-21","18:00:00","" "4319280","7.541","0.003","9.58","0.004","23.817","0.009","90","","90","","90","","1720.6","1.2","110","2","110","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C20 H26 N O -","- C20 H25 N O -","- C80 H100 N4 O4 -","4","1","","Donald J. Darensbourg; Patrick Rainey; Jason Yarbrough","Bis-Salicylaldiminato Complexes of Zinc. Examination of the Catalyzed Epoxide/CO2 Copolymerization","Inorganic Chemistry","2001","40","","986","993","10.1021/ic0006403","","","0.71073","MoKα","","0.0513","0.0491","","","0.1297","0.1331","","","","","","1.109","","","","has coordinates","201982","2020-10-21","18:00:00","" "4319281","5.0563","0.0006","12.8168","0.0015","22.753","0.003","90","","90","","90","","1474.5","0.3","110","2","110","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C16 H11 F6 N O -","- C16 H11 F6 N O -","- C64 H44 F24 N4 O4 -","4","1","","Donald J. Darensbourg; Patrick Rainey; Jason Yarbrough","Bis-Salicylaldiminato Complexes of Zinc. Examination of the Catalyzed Epoxide/CO2 Copolymerization","Inorganic Chemistry","2001","40","","986","993","10.1021/ic0006403","","","0.71073","MoKα","","0.072","0.0357","","","0.0908","0.103","","","","","","0.84","","","","has coordinates,has disorder","179272","2020-10-21","18:00:00","" "4319282","13.6459","0.001","16.6239","0.0013","16.9673","0.0013","90","","107.402","0.002","90","","3672.8","0.5","110","2","110","2","","","","","","","","6","P 1 2/n 1","-P 2yac","13","","","","- C71 H52 F24 N4 O4 Zn2 -","- C39 H28 F12 N2 O2 Zn -","- C156 H112 F48 N8 O8 Zn4 -","4","1","","Donald J. Darensbourg; Patrick Rainey; Jason Yarbrough","Bis-Salicylaldiminato Complexes of Zinc. Examination of the Catalyzed Epoxide/CO2 Copolymerization","Inorganic Chemistry","2001","40","","986","993","10.1021/ic0006403","","","0.71073","MoKα","","0.1671","0.0696","","","0.1589","0.2055","","","","","","0.869","","","","has coordinates","179272","2020-10-21","18:00:00","" "4319283","14.3993","0.0013","15.3231","0.0013","15.8728","0.0014","89.257","0.002","73.296","0.002","83.682","0.002","3333.4","0.5","110","2","110","2","","","","","","","","5","P -1","-P 1","2","","","","- C75 H100 N2 O2 Zn -","- C75 H100 N2 O2 Zn -","- C150 H200 N4 O4 Zn2 -","2","1","","Donald J. Darensbourg; Patrick Rainey; Jason Yarbrough","Bis-Salicylaldiminato Complexes of Zinc. Examination of the Catalyzed Epoxide/CO2 Copolymerization","Inorganic Chemistry","2001","40","","986","993","10.1021/ic0006403","","","0.71073","MoKα","","0.1503","0.0799","","","0.194","0.2412","","","","","","0.711","","","","has coordinates","255805","2020-10-21","18:00:00","" "4319284","12.0222","0.0017","14.924","0.002","20.888","0.003","90","","105.989","0.003","90","","3602.7","0.9","110","2","110","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C40 H48 N2 O4 Zn -","- C40 H48 N2 O4 Zn -","- C160 H192 N8 O16 Zn4 -","4","1","","Donald J. Darensbourg; Patrick Rainey; Jason Yarbrough","Bis-Salicylaldiminato Complexes of Zinc. Examination of the Catalyzed Epoxide/CO2 Copolymerization","Inorganic Chemistry","2001","40","","986","993","10.1021/ic0006403","","","0.71073","MoKα","","0.1038","0.062","","","0.1425","0.1655","","","","","","0.908","","","","has coordinates","179272","2020-10-21","18:00:00","" "4319285","21.8012","0.0009","21.8012","0.0009","21.8012","0.0009","90","","90","","90","","10361.9","0.7","173","2","173","2","","","","","","","","4","P a -3","-P 2ac 2ab 3","205","","","","- C110 H158 O6 Zn6 -","- C110 H152 O6 Zn6 -","- C440 H608 O24 Zn24 -","4","0.166667","","Maarten B. Dinger; Michael J. Scott","Synthesis, Characterization, and Reactivity of Multinuclear Zinc(II) Alkyl Derivatives of Linked Phenoxides","Inorganic Chemistry","2001","40","","1029","1036","10.1021/ic000682r","","","0.71073","MoKα","","0.04","0.0288","","","0.0711","0.0775","","","","","","1.051","","","","has coordinates","179272","2020-10-21","18:00:00","" "4319286","20.5594","0.0015","20.5594","0.0015","11.8777","0.0012","90","","90","","120","","4347.9","0.6","173","2","173","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- C62 H80 O6 Zn6 -","- C62 H80 O6 Zn6 -","- C186 H240 O18 Zn18 -","3","0.166667","","Maarten B. Dinger; Michael J. Scott","Synthesis, Characterization, and Reactivity of Multinuclear Zinc(II) Alkyl Derivatives of Linked Phenoxides","Inorganic Chemistry","2001","40","","1029","1036","10.1021/ic000682r","","","0.71073","MoKα","","0.0256","0.0233","","","0.0636","0.0652","","","","","","1.029","","","","has coordinates","179272","2020-10-21","18:00:00","" "4319287","25.163","0.003","12.717","0.0019","32.909","0.004","90","","106.232","0.014","90","","10111","2","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C95 H142 Cl10 O6 Zn4 -","- C94 H140 Cl8 O6 Zn4 -","- C376 H560 Cl32 O24 Zn16 -","4","0.5","","Maarten B. Dinger; Michael J. Scott","Synthesis, Characterization, and Reactivity of Multinuclear Zinc(II) Alkyl Derivatives of Linked Phenoxides","Inorganic Chemistry","2001","40","","1029","1036","10.1021/ic000682r","","","0.71073","MoKα","","0.0732","0.0554","","","0.1399","0.1516","","","","","","1.037","","","","has coordinates,has disorder","179272","2020-10-21","18:00:00","" "4319288","24.1665","0.0011","25.9408","0.0011","32.738","0.0015","90","","90","","90","","20523.4","1.6","173","2","173","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C99.33 H155.33 O7.33 Zn5 -","- C99.32 H155.3 O7.33 Zn5 -","- C794.56 H1242.4 O58.64 Zn40 -","8","1","","Maarten B. Dinger; Michael J. Scott","Synthesis, Characterization, and Reactivity of Multinuclear Zinc(II) Alkyl Derivatives of Linked Phenoxides","Inorganic Chemistry","2001","40","","1029","1036","10.1021/ic000682r","","","0.71073","MoKα","","0.0732","0.0395","","","0.1024","0.1171","","","","","","0.995","","","","has coordinates,has disorder","179272","2020-10-21","18:00:00","" "4319289","23.604","0.0006","23.604","0.0006","23.604","0.0006","90","","90","","90","","13150.9","0.6","173","2","173","2","","","","","","","","4","P a -3","-P 2ac 2ab 3","205","","","","- C65 H108 O7 Zn3 -","- C65.72 H100 O6.75 Zn3 -","- C525.76 H800 O54 Zn24 -","8","0.333333","","Maarten B. Dinger; Michael J. Scott","Synthesis, Characterization, and Reactivity of Multinuclear Zinc(II) Alkyl Derivatives of Linked Phenoxides","Inorganic Chemistry","2001","40","","1029","1036","10.1021/ic000682r","","","0.71073","MoKα","","0.0657","0.0462","","","0.0986","0.1091","","","","","","1.122","","","","has coordinates,has disorder","179272","2020-10-21","18:00:00","" "4319290","10.5332","0.0009","19.6413","0.0017","20.0198","0.0017","90","","101.499","0.002","90","","4058.7","0.6","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C43 H61 O3 P -","- C43 H61 O3 P -","- C172 H244 O12 P4 -","4","1","","Maarten B. Dinger; Michael J. Scott","Sterically Crowded, Rigid,C3 Symmetric Phosphites: Synthesis, Structure, and Preparation of Metal Complexes","Inorganic Chemistry","2001","40","","856","864","10.1021/ic000683j","","","0.71073","MoKα","","0.0844","0.0596","","","0.1488","0.1673","","","","","","1.042","","","","has coordinates,has disorder","179272","2020-10-21","18:00:00","" "4319291","26.4932","0.0014","26.4932","0.0014","27.759","0.002","90","","90","","120","","16873.4","1.8","173","2","173","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- C46 H55 As O3 -","- C34 H43 As O3 -","- C612 H774 As18 O54 -","18","1","","Maarten B. Dinger; Michael J. Scott","Sterically Crowded, Rigid,C3 Symmetric Phosphites: Synthesis, Structure, and Preparation of Metal Complexes","Inorganic Chemistry","2001","40","","856","864","10.1021/ic000683j","","","0.71073","MoKα","","0.0602","0.0449","","","0.1151","0.1229","","","","","","1.035","","","","has coordinates","201982","2020-10-21","18:00:00","" "4319292","18.2064","0.0016","25.301","0.002","29.814","0.003","70.109","0.002","74.658","0.002","81.012","0.002","12420.8","1.9","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C93.75 H129.75 Cl27.25 O6 P2 Pd2 -","- C90.5 H126.5 Cl17.5 O6 P2 Pd2 -","- C362 H506 Cl70 O24 P8 Pd8 -","4","2","","Maarten B. Dinger; Michael J. Scott","Sterically Crowded, Rigid,C3 Symmetric Phosphites: Synthesis, Structure, and Preparation of Metal Complexes","Inorganic Chemistry","2001","40","","856","864","10.1021/ic000683j","","","0.71073","MoKα","","0.133","0.0892","","","0.2312","0.2623","","","","","","1.019","","","","has coordinates","179272","2020-10-21","18:00:00","" "4319293","17.4765","0.0011","21.485","0.0014","18.7477","0.0011","90","","97.98","0.001","90","","6971.3","0.8","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C37 H48 Cl O3 P Pd -","- C37 H48 Cl O3 P Pd -","- C296 H384 Cl8 O24 P8 Pd8 -","8","2","","Maarten B. Dinger; Michael J. Scott","Sterically Crowded, Rigid,C3 Symmetric Phosphites: Synthesis, Structure, and Preparation of Metal Complexes","Inorganic Chemistry","2001","40","","856","864","10.1021/ic000683j","","","0.71073","MoKα","","0.0988","0.0484","","","0.114","0.1356","","","","","","0.98","","","","has coordinates","179272","2020-10-21","18:00:00","" "4319294","13.9087","0.0011","26.103","0.002","15.4968","0.0013","90","","90.943","0.002","90","","5625.5","0.8","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C63 H84 O6 P Rh -","- C49 H68 O6 P Rh -","- C196 H272 O24 P4 Rh4 -","4","1","","Maarten B. Dinger; Michael J. Scott","Sterically Crowded, Rigid,C3 Symmetric Phosphites: Synthesis, Structure, and Preparation of Metal Complexes","Inorganic Chemistry","2001","40","","856","864","10.1021/ic000683j","","","0.71073","MoKα","","0.0822","0.0509","","","0.1132","0.1256","","","","","","1.006","","","","has coordinates","179272","2020-10-21","18:00:00","" "4319295","18.0013","0.0009","11.7064","0.0006","21.778","0.0011","90","","97.882","0.001","90","","4545.9","0.4","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C52 H62 O6 P Rh -","- C52 H62 O6 P Rh -","- C208 H248 O24 P4 Rh4 -","4","1","","Maarten B. Dinger; Michael J. Scott","Sterically Crowded, Rigid,C3 Symmetric Phosphites: Synthesis, Structure, and Preparation of Metal Complexes","Inorganic Chemistry","2001","40","","856","864","10.1021/ic000683j","","","0.71073","MoKα","","0.0548","0.0379","","","0.0913","0.1027","","","","","","1.026","","","","has coordinates","179272","2020-10-21","18:00:00","" "4319296","30.049","0.019","4.936","0.002","19.077","0.009","90","0.04","128.61","0.05","90","0.05","2211","2","153","5","153","5","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C20 H16 Eu F10 O2 S2 -","- C20 H16 Eu F10 O2 S2 -","- C80 H64 Eu4 F40 O8 S8 -","4","0.5","","Jonathan H. Melman; Thomas J. Emge; John G. Brennan","Fluorinated Thiolates of Divalent and Trivalent Lanthanides. Ln-F Bonds and the Synthesis of LnF3","Inorganic Chemistry","2001","40","","1078","1081","10.1021/ic0006908","","","0.71073","MoKα","","0.0463","0.0376","","","0.1058","0.1094","","","","","","1.001","","","","has coordinates","179272","2020-10-21","18:00:00","" "4319297","11.923","0.01","12.404","0.007","19.869","0.014","90","0.06","92.27","0.07","90","0.06","2936","4","153","5","153","5","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C26 H16 F15 O2 S3 Sm -","- C26 H16 F15 O2 S3 Sm -","- C104 H64 F60 O8 S12 Sm4 -","4","1","","Jonathan H. Melman; Thomas J. Emge; John G. Brennan","Fluorinated Thiolates of Divalent and Trivalent Lanthanides. Ln-F Bonds and the Synthesis of LnF3","Inorganic Chemistry","2001","40","","1078","1081","10.1021/ic0006908","","","0.71073","MoKα","","0.167","0.0617","","","0.1291","0.1477","","","","","","1.005","","","","has coordinates","179272","2020-10-21","18:00:00","" "4319298","9.7718","0.0005","8.2503","0.0004","9.2491","0.0005","90","","104.146","0.001","90","","723.05","0.06","298","","298","","","","","","","","hydrothermal reaction","6","P 1 21/c 1","-P 2ybc","14","","","","- C2 H5 N4 O3 P Zn -","- C2 H5 N4 O3 P Zn -","- C8 H20 N16 O12 P4 Zn4 -","4","1","","William T. A. Harrison; Mark L. F. Phillips; Jesse Stanchfield; Tina M. Nenoff","Pseudopyramidal Building Units in Mixed Inorganic/Organic Network Solids: Syntheses, Structures, and Properties of α- and β-ZnHPO3.N4C2H4","Inorganic Chemistry","2001","40","","895","899","10.1021/ic000723j","","","0.71073","MoKα","","","0.0233","","","0.0252","","","","","1.0848","1.0848","","","","","has coordinates","176467","2020-10-21","18:00:00","" "4319299","14.5092","0.0009","10.5464","0.0006","10.3342","0.0006","90","","114.29","0.001","90","","1441.35","0.15","298","","298","","","","","","","","hydrothermal reaction","6","C 1 2/c 1","-C 2yc","15","","","","- C2 H5 N4 O3 P Zn -","- C2 H5 N4 O3 P Zn -","- C16 H40 N32 O24 P8 Zn8 -","8","1","","William T. A. Harrison; Mark L. F. Phillips; Jesse Stanchfield; Tina M. Nenoff","Pseudopyramidal Building Units in Mixed Inorganic/Organic Network Solids: Syntheses, Structures, and Properties of α- and β-ZnHPO3.N4C2H4","Inorganic Chemistry","2001","40","","895","899","10.1021/ic000723j","","","0.71073","MoKα","","","0.0301","","","0.034","","","","","1.0871","1.0871","","","","","has coordinates","176467","2020-10-21","18:00:00","" "4319300","9.661","0.002","26.224","0.003","37.863","0.003","90","","90","","90","","9593","2","293","","","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C48 H36 Er4 O30 -","- C48 H36 Er4 O30 -","- C384 H288 Er32 O240 -","8","1","","Long Pan; Nengwu Zheng; Yonggang Wu; Song Han; Ruyi Yang; Xiaoying Huang; Jing Li","Synthesis, Characterization and Structural Transformation of A Condensed Rare Earth Metal Coordination Polymer","Inorganic Chemistry","2001","40","","828","830","10.1021/ic0007254","","","0.71073","MoKα","","","0.045","","","0.048","","","","","1.38","1.38","","","","","has coordinates","193981","2020-10-21","18:00:00","" "4319301","17.075","0.002","21.067","0.003","21.429","0.003","90","","97.45","0.02","90","","7643.3","1.8","294","2","294","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C56.5 H75 B2 Cl Mo2 N18 O9 -","- C56.5 H64 B2 Cl Mo2 N18 O9 -","- C226 H256 B8 Cl4 Mo8 N72 O36 -","4","1","","Helen A. Jones; Thomas A. Hamor; Christopher J. Jones; Ferida S. McQuillan; Keith Paxton; Natalie M. Rowley","Syntheses of Metallomacrocycles Containing Metal Amide Linkages. The X-ray Crystal Structure of syn-[{Mo(NO)[HB(3,5- Me2C3HN2)3]}{(4-NHC6H4)2CO}]2","Inorganic Chemistry","2001","40","","1052","1056","10.1021/ic000749a","","","0.7107","MoKa","","0.081","0.0649","","0.2051","0.1926","","","","1.137","1.174","1.174","","","","","has coordinates","176467","2020-10-21","18:00:00","" "4319302","6.5754","0.0002","10.5182","0.0002","30.4789","0.0003","98.931","0.002","91.678","0.002","97.063","0.002","2064.09","0.08","213","2","213","2","","","","","","","","6","P -1","-P 1","2","","trans-Dinitro-cisoid-bis(N-tetradecylethylenediamine)cobalt(III) Perchlorate","","- C32 H72 Cl Co N6 O8 -","- C32 H72 Cl Co N6 O8 -","- C64 H144 Cl2 Co2 N12 O16 -","2","1","","Navamoney Arulsamy; D. Scott Bohle; Patricia A. Goodson; David A. Jaeger; Ven B. Reddy","Synthesis, Structure, and Stereochemistry of Double-Chain Surfactant Co(III) Complexes","Inorganic Chemistry","2001","40","","836","842","10.1021/ic000839f","","","0.71073","MoKα","","0.2267","0.1184","","0.3125","0.2506","","","","0.965","1.189","1.189","","","","","has coordinates","179273","2020-10-21","18:00:00","" "4319303","6.6001","0.0013","9.891","0.002","19.266","0.004","84.83","0.03","80.42","0.03","85.56","0.03","1232.6","0.4","213","2","213","2","","","","","","","","5","P -1","-P 1","2","","trans-Dinitro-cisoid-bis(N-hexylethylenediamine)cobalt(III) Nitrate","","- C16 H40 Co N7 O7 -","- C16 H31 Co N7 O7 -","- C32 H62 Co2 N14 O14 -","2","1","","Navamoney Arulsamy; D. Scott Bohle; Patricia A. Goodson; David A. Jaeger; Ven B. Reddy","Synthesis, Structure, and Stereochemistry of Double-Chain Surfactant Co(III) Complexes","Inorganic Chemistry","2001","40","","836","842","10.1021/ic000839f","","","0.71073","MoKα","","0.1038","0.0651","","0.1725","0.1494","","","","0.961","1.057","1.057","","","","","has coordinates,has disorder","179273","2020-10-21","18:00:00","" "4319304","13.8039","0.0016","13.8039","0.0016","20.85","0.002","90","","90","","120","","3440.6","0.7","153","2","153","2","","","","","","","","4","R 3 :H","R 3","146","","","","- Ba Cs4 Se27 Ti6 -","- Ba Cs4 Se27 Ti6 -","- Ba3 Cs12 Se81 Ti18 -","3","0.333333","","Fu Qiang Huang; James A. Ibers","Polar Titanium Polychalcogenides: Syntheses and Characterization of Cs6Ti6S27, Cs4BaTi6Se27, Rb5AgTi6Se27, and Cs5AgTi6Se27","Inorganic Chemistry","2001","40","","865","869","10.1021/ic000843r","","","0.71073","MoKα","","0.0429","0.0372","","","0.09","0.0926","","","","","","1.217","","","","has coordinates","179273","2020-10-21","18:00:00","" "4319305","13.5713","0.0004","13.5713","0.0004","13.9367","0.0006","90","","90","","120","","2222.97","0.13","153","2","153","2","","","","","","","","4","P 3 1 c","P 3 -2c","159","","","","- Ag Cs5 Se27 Ti6 -","- Ag Cs5 Se27 Ti6 -","- Ag2 Cs10 Se54 Ti12 -","2","0.333333","","Fu Qiang Huang; James A. Ibers","Polar Titanium Polychalcogenides: Syntheses and Characterization of Cs6Ti6S27, Cs4BaTi6Se27, Rb5AgTi6Se27, and Cs5AgTi6Se27","Inorganic Chemistry","2001","40","","865","869","10.1021/ic000843r","","","0.71073","MoKα","","0.0224","0.0199","","","0.0462","0.0473","","","","","","0.953","","","","has coordinates","179273","2020-10-21","18:00:00","" "4319306","13.5203","0.0008","13.5203","0.0008","19.7843","0.0011","90","","90","","120","","3132","0.3","153","2","153","2","","","","","","","","3","R 3 :H","R 3","146","","","","- Cs6 S27 Ti6 -","- Cs6 S27 Ti6 -","- Cs18 S81 Ti18 -","3","0.333333","","Fu Qiang Huang; James A. Ibers","Polar Titanium Polychalcogenides: Syntheses and Characterization of Cs6Ti6S27, Cs4BaTi6Se27, Rb5AgTi6Se27, and Cs5AgTi6Se27","Inorganic Chemistry","2001","40","","865","869","10.1021/ic000843r","","","0.71073","MoKα","","0.0169","0.0167","","","0.0451","0.0452","","","","","","0.905","","","","has coordinates","179273","2020-10-21","18:00:00","" "4319307","13.2656","0.0014","13.2656","0.0014","13.908","0.002","90","","90","","120","","2119.6","0.4","153","2","153","2","","","","","","","","4","P 3 1 c","P 3 -2c","159","","","","- Ag Rb5 Se27 Ti6 -","- Ag Rb5 Se27 Ti6 -","- Ag2 Rb10 Se54 Ti12 -","2","0.333333","","Fu Qiang Huang; James A. Ibers","Polar Titanium Polychalcogenides: Syntheses and Characterization of Cs6Ti6S27, Cs4BaTi6Se27, Rb5AgTi6Se27, and Cs5AgTi6Se27","Inorganic Chemistry","2001","40","","865","869","10.1021/ic000843r","","","0.71073","MoKα","","0.0283","0.0233","","","0.0498","0.0514","","","","","","0.918","","","","has coordinates","179273","2020-10-21","18:00:00","" "4319308","16.6105","0.0002","32.4635","0.0006","17.2057","0.0003","90","","90","","90","","9277.9","0.3","173","2","173","2","","","","","","","synthesis as described","5","P b c a","-P 2ac 2ab","61","[{(mes)2BOAlMe2}2].(hexane)","","","- C46 H70 Al2 B2 O2 -","- C46 H70 Al2 B2 O2 -","- C368 H560 Al16 B16 O16 -","8","1","","Vernon C. Gibson; Sergio Mastroianni; Andrew J. P. White; David J. Williams","Formation and Unexpected Catalytic Reactivity of Organoaluminum Boryloxides","Inorganic Chemistry","2001","40","","826","827","10.1021/ic000895g","","x-ray","0.71073","MoKα","","0.0846","0.06","","","0.157","0.1727","","","","","","1.023","","","","has coordinates","176432","2020-10-21","18:00:00","" "4319309","11.1456","0.0012","16.4011","0.0014","11.5273","0.0014","90","","113.89","0.02","90","","1926.7","0.5","203","2","203","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C40 H56 Al2 B2 O2 -","- C40 H56 Al2 B2 O2 -","- C80 H112 Al4 B4 O4 -","2","0.5","","Vernon C. Gibson; Sergio Mastroianni; Andrew J. P. White; David J. Williams","Formation and Unexpected Catalytic Reactivity of Organoaluminum Boryloxides","Inorganic Chemistry","2001","40","","826","827","10.1021/ic000895g","","","1.54178","CuKα","","0.0855","0.0648","","0.1929","0.1734","","","","1.06","1.112","1.112","","","","","has coordinates","176467","2020-10-21","18:00:00","" "4319310","11.981","0.0008","12.2478","0.0007","21.5158","0.0008","78.678","0.004","81.984","0.005","61.193","0.004","2709","0.3","203","2","203","2","","","","","","","","6","P -1","-P 1","2","","","","- C58 H72 Al B3 N2 O3 -","- C58 H72 Al B3 N2 O3 -","- C116 H144 Al2 B6 N4 O6 -","2","1","","Vernon C. Gibson; Sergio Mastroianni; Andrew J. P. White; David J. Williams","Formation and Unexpected Catalytic Reactivity of Organoaluminum Boryloxides","Inorganic Chemistry","2001","40","","826","827","10.1021/ic000895g","","","1.54178","CuKα","","0.081","0.0639","","0.1849","0.1657","","","","1.027","1.067","1.067","","","","","has coordinates","176467","2020-10-21","18:00:00","" "4319311","8.332","0.004","7.186","0.003","10.812","0.009","90","","95.07","0.06","90","","644.8","0.7","293","2","293","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C5 H16 F10 N2 O U2 -","- C5 H14 F10 N2 O U2 -","- C10 H28 F20 N4 O2 U4 -","2","0.5","","Philip M. Almond; Laura Deakin; Arthur Mar; Thomas E. Albrecht-Schmitt","Hydrothermal Synthesis, Structure, and Magnetic Properties of a Layered Organically Templated Uranium Aquofluoride: [C5H14N2][U2F10(H2O)]","Inorganic Chemistry","2001","40","","886","890","10.1021/ic000921a","","","0.71073","MoKα","","0.0421","0.0316","","0.0766","0.072","","","","1.073","1.118","1.118","","","","","has coordinates","179273","2020-10-21","18:00:00","" "4319312","4.1509","0.0003","10.4438","0.0007","26.24","0.0018","90","","90","","90","","1137.53","0.14","295","2","295","2","","","","","","","","3","I m m m","-I 2 2","71","gadolinium germanium antimonide","gadolinium germanium antimonide","","- Gd6 Ge4.33 Sb11.67 -","- Gd6 Ge4.32 Sb11.68 -","- Gd12 Ge8.64 Sb23.36 -","2","0.125","","Robert Lam; Robert McDonald; Arthur Mar","Rare-Earth Germanium Antimonides RE6Ge5-xSb11+x (RE = La-Nd, Sm, Gd-Dy). I. Syntheses and Structures","Inorganic Chemistry","2001","40","","952","959","10.1021/ic0009472","","","0.71073","MoKα","","0.0573","0.0424","","","0.095","0.1011","","","","","","1.107","","","","has coordinates","179273","2020-10-21","18:00:00","" "4319313","4.3034","0.0008","10.851","0.003","27.073","0.007","90","","90","","90","","1264.2","0.5","295","2","295","2","","","","","","","","3","I m m m","-I 2 2","71","lanthanum germanium antimonide","lanthanum germanium antimonide","","- Ge2.8 La6 Sb13.2 -","- Ge2.812 La6 Sb13.186 -","- Ge5.624 La12 Sb26.372 -","2","0.125","","Robert Lam; Robert McDonald; Arthur Mar","Rare-Earth Germanium Antimonides RE6Ge5-xSb11+x (RE = La-Nd, Sm, Gd-Dy). I. Syntheses and Structures","Inorganic Chemistry","2001","40","","952","959","10.1021/ic0009472","","","0.71073","MoKα","","0.0475","0.0412","","","0.0936","0.0979","","","","","","1.17","","","","has coordinates","179273","2020-10-21","18:00:00","" "4319314","4.231","0.0003","10.6362","0.0007","26.526","0.002","90","","90","","90","","1193.72","0.15","295","2","295","2","","","","","","","","3","I m m m","-I 2 2","71","neodymium germanium antimonide","neodymium germanium antimonide","","- Ge3.6 Nd6 Sb12.4 -","- Ge3.604 Nd6 Sb12.408 -","- Ge7.208 Nd12 Sb24.816 -","2","0.125","","Robert Lam; Robert McDonald; Arthur Mar","Rare-Earth Germanium Antimonides RE6Ge5-xSb11+x (RE = La-Nd, Sm, Gd-Dy). I. Syntheses and Structures","Inorganic Chemistry","2001","40","","952","959","10.1021/ic0009472","","","0.71073","MoKα","","0.0396","0.0307","","","0.0647","0.0683","","","","","","1.101","","","","has coordinates","179273","2020-10-21","18:00:00","" "4319315","13.955","0.005","7.33","0.003","8.927","0.002","90","","102.39","0.03","90","","891.9","0.5","293","","293","","","","","","","","synthesis","5","C 1 2/m 1","-C 2y","12","","","","- C16 H40 Cu4 N8 O20 -","- C4 H10 Cu N2 O5 -","- C16 H40 Cu4 N8 O20 -","4","0.5","","Partha Sarathi Mukherjee; Tapas Kumar Maji; Golam Mostafa; Joan Ribas; Mohamed Salah El Fallah; Nirmalendu Ray Chaudhuri","Observation of Dominant Ferromagnetic Interaction in Fumarate-Bridged 1-D Polymer of Cu(II)","Inorganic Chemistry","2001","40","","928","931","10.1021/ic000949m","","","0.71073","MoKα","","0.0626","0.0526","","","0.1378","0.1486","","","","","","1.025","","","","has coordinates","179273","2020-10-21","18:00:00","" "4319316","14.574","0.002","8.3967","0.0011","15.272","0.002","90","","109.428","0.007","90","","1762.5","0.4","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C10 H16 N O14 Tb -","- C10 H16 N O14 Tb -","- C40 H64 N4 O56 Tb4 -","4","1","","Bert D. Alleyne; Avril R. Williams; Lincoln A. Hall; Andrew J. P. White; David J. Williams","Lanthanide(III) Methylsquarates: Synthesis and X-ray Structures","Inorganic Chemistry","2001","40","","1045","1051","10.1021/ic000989q","","","0.71073","MoKα","","0.0562","0.0327","","0.0874","0.0742","","","","1.044","1.127","1.127","","","","","has coordinates","179273","2020-10-21","18:00:00","" "4319317","13.239","0.0015","7.8355","0.001","14.209","0.002","90","","90","","90","","1474","0.3","173","2","173","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C5 H17 Cl2 La O10 -","- C5 H3 Cl2 La O10 -","- C20 H12 Cl8 La4 O40 -","4","1","","Bert D. Alleyne; Avril R. Williams; Lincoln A. Hall; Andrew J. P. White; David J. Williams","Lanthanide(III) Methylsquarates: Synthesis and X-ray Structures","Inorganic Chemistry","2001","40","","1045","1051","10.1021/ic000989q","","","0.71073","MoKα","","0.0595","0.0382","","0.1595","0.0919","","","","1.184","1.123","1.123","","","","","has coordinates","176467","2020-10-21","18:00:00","" "4319318","8.7129","0.0005","13.1148","0.0012","15.2529","0.0009","90","","90","","90","","1742.9","0.2","293","2","293","2","","","","","","","","4","P b n a","-P 2ac 2b","60","","","","- C15 H13 Eu O11 -","- C15 H9 Eu O11 -","- C60 H36 Eu4 O44 -","4","0.5","","Bert D. Alleyne; Avril R. Williams; Lincoln A. Hall; Andrew J. P. White; David J. Williams","Lanthanide(III) Methylsquarates: Synthesis and X-ray Structures","Inorganic Chemistry","2001","40","","1045","1051","10.1021/ic000989q","","","1.54178","CuKα","","0.0675","0.0468","","0.1051","0.0947","","","","1.136","1.208","1.208","","","","","has coordinates,has disorder","179273","2020-10-21","18:00:00","" "4319319","14.543","0.002","8.3964","0.0011","15.251","0.002","90","","109.372","0.008","90","","1756.8","0.4","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C10 H16 Gd N O14 -","- C10 H16 Gd N O14 -","- C40 H64 Gd4 N4 O56 -","4","1","","Bert D. Alleyne; Avril R. Williams; Lincoln A. Hall; Andrew J. P. White; David J. Williams","Lanthanide(III) Methylsquarates: Synthesis and X-ray Structures","Inorganic Chemistry","2001","40","","1045","1051","10.1021/ic000989q","","","0.71073","MoKα","","0.0559","0.0328","","0.0898","0.0729","","","","1.089","1.183","1.183","","","","","has coordinates","176467","2020-10-21","18:00:00","" "4319320","10.438","0.0015","14.813","0.002","15.151","0.002","90","","108.212","0.014","90","","2225.3","0.6","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H23 La O16 -","- C15 H23 La O16 -","- C60 H92 La4 O64 -","4","1","","Bert D. Alleyne; Avril R. Williams; Lincoln A. Hall; Andrew J. P. White; David J. Williams","Lanthanide(III) Methylsquarates: Synthesis and X-ray Structures","Inorganic Chemistry","2001","40","","1045","1051","10.1021/ic000989q","","","0.71073","MoKα","","0.0695","0.0415","","0.1064","0.0904","","","","1.09","1.177","1.177","","","","","has coordinates","176467","2020-10-21","18:00:00","" "4319321","20.579","0.003","14.405","0.002","24.407","0.004","90","","103.35","0.03","90","","7040","2","233","2","233","2","","","","","","","","8","C 1 c 1","C -2yc","9","","","","- C36 H76 Cl4 Mo3 N24 Ni O32 S4 -","- C36 H35 Cl4 Mo3 N24 Ni O32.01 S4 -","- C144 H140 Cl16 Mo12 N96 Ni4 O128.04 S16 -","4","1","","Vladimir P. Fedin; Volker Gramlich; Michael Wörle; Thomas Weber","Supramolecular Assemblies Based on Cucurbituril Adducts of Hydrogen-Bonded Cubane-Type Molybdenum-Nickel Sulfide Aqua Complexes","Inorganic Chemistry","2001","40","","1074","1077","10.1021/ic001034a","","","0.71073","MoKα","","0.1027","0.0803","","","0.2057","0.2237","","","","","","1.065","","","","has coordinates","179273","2020-10-21","18:00:00","" "4319322","20.819","0.021","14.956","0.009","24.148","0.012","90","","92.53","0.06","90","","7512","10","293","2","293","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C41 H87 Cl5 Mo3 N25 Ni O34.5 S4 -","- C42 H36 Cl4.97 Mo3 N24 Ni O34.44 S4 -","- C168 H144 Cl19.88 Mo12 N96 Ni4 O137.76 S16 -","4","1","","Vladimir P. Fedin; Volker Gramlich; Michael Wörle; Thomas Weber","Supramolecular Assemblies Based on Cucurbituril Adducts of Hydrogen-Bonded Cubane-Type Molybdenum-Nickel Sulfide Aqua Complexes","Inorganic Chemistry","2001","40","","1074","1077","10.1021/ic001034a","","","0.71073","MoKα","","0.1128","0.0548","","0.1423","0.1285","","","","0.758","1.172","1.172","","","","","has coordinates","176467","2020-10-21","18:00:00","" "4319323","19.849","0.008","13.908","0.005","30.722","0.01","90","","107.354","0.019","90","","8095","5","103","","103","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C72 H50 Cl13 Mn4 N4 O16 -","- C74 H45 Cl20 Mn4 N4 O16 -","- C296 H180 Cl80 Mn16 N16 O64 -","4","1","","Belen Albela; Mohamed Salah El Fallah; Joan Ribas; Kirsten Folting; George Christou; David N. Hendrickson","Two New Mixed-Valence Manganese Complexes of Formula [Mn4O2(X-benzoato)7(bpy)2] (X = 2-Cl, 2-Br) and the Crystal Structure of the 2-Cl Complex: Ground-State Spin Variability in the [Mn4O2]7+ Complexes","Inorganic Chemistry","2001","40","","1037","1044","10.1021/ic0010555","","","0.71069","MoKα","","0.0941","","","","","0.0937","","","","","","2.4839","","","","has coordinates,has disorder","179273","2020-10-21","18:00:00","" "4319324","6.6646","0.0008","10.2788","0.0013","14.2128","0.0018","70.415","0.002","77.705","0.002","86.777","0.002","896.14","0.19","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C17 H21 Au Cl N2 O4.5 -","- C17 H21 Au Cl N2 O4.5 -","- C34 H42 Au2 Cl2 N4 O9 -","2","1","","Steven L. Barnholtz; John D. Lydon; Gloria Huang; Meera Venkatesh; Charles L. Barnes; Alan R. Ketring; Silvia S. Jurisson","Syntheses and Characterization of Gold(III) Tetradentate Schiff Base Complexes. X-ray Crystal Structures of [Au(sal2pn)]Cl.2.5H2O and [Au(sal2en)]PF6","Inorganic Chemistry","2001","40","","972","976","10.1021/ic001073m","","","0.71073","MoKα","","0.0314","0.0286","","","0.0722","0.0733","","","","","","1.043","","","","has coordinates,has disorder","188927","2020-10-21","18:00:00","" "4319325","7.273","0.0009","10.993","0.0014","12.1882","0.0016","112.472","0.002","93.631","0.002","98.251","0.002","883.7","0.2","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C16 H14 Au F6 N2 O2 P -","- C16 H14 Au F6 N2 O2 P -","- C32 H28 Au2 F12 N4 O4 P2 -","2","1","","Steven L. Barnholtz; John D. Lydon; Gloria Huang; Meera Venkatesh; Charles L. Barnes; Alan R. Ketring; Silvia S. Jurisson","Syntheses and Characterization of Gold(III) Tetradentate Schiff Base Complexes. X-ray Crystal Structures of [Au(sal2pn)]Cl.2.5H2O and [Au(sal2en)]PF6","Inorganic Chemistry","2001","40","","972","976","10.1021/ic001073m","","","0.7107","MoKα","","0.0393","0.0365","","","0.0995","0.1024","","","","","","0.902","","","","has coordinates","179273","2020-10-21","18:00:00","" "4319326","26.967","0.004","12.369","0.004","14.5548","0.0013","90","","114.144","0.006","90","","4430.1","1.6","203","2","203","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","[(Mes)2DAP]GeCl","","","- C23 H29 Cl Ge N2 -","- C23 H29 Cl Ge N2 -","- C184 H232 Cl8 Ge8 N16 -","8","1","","Ashley E. Ayers; Thomas M. Klapötke; H. V. Rasika Dias","Azido Derivatives of Germanium(II) and Tin(II): Syntheses and Characterization of [(Mes)2DAP]GeN3, [(Mes)2DAP]SnN3, and the Corresponding Chloro Analogues Featuring Heterocyclic Six-π-Electron Ring Systems (where [(Mes)2DAP] = {N(Mes)C(Me)}2CH)","Inorganic Chemistry","2001","40","","1000","1005","10.1021/ic001078j","","","0.71073","MoKα","","0.0342","0.0306","","","0.0794","0.0818","","","","","","1.069","","","","has coordinates","179273","2020-10-21","18:00:00","" "4319327","6.8814","0.0014","25.53","0.005","12.77","0.003","90","","90","","90","","2243.5","0.8","203","2","203","2","","","","","","","","5","P n m a","-P 2ac 2n","62","[(Mes)2DAP]SnCl","","","- C23 H29 Cl N2 Sn -","- C23 H29 Cl N2 Sn -","- C92 H116 Cl4 N8 Sn4 -","4","0.5","","Ashley E. Ayers; Thomas M. Klapötke; H. V. Rasika Dias","Azido Derivatives of Germanium(II) and Tin(II): Syntheses and Characterization of [(Mes)2DAP]GeN3, [(Mes)2DAP]SnN3, and the Corresponding Chloro Analogues Featuring Heterocyclic Six-π-Electron Ring Systems (where [(Mes)2DAP] = {N(Mes)C(Me)}2CH)","Inorganic Chemistry","2001","40","","1000","1005","10.1021/ic001078j","","","0.71073","MoKα","","0.0373","0.0294","","","0.0737","0.0778","","","","","","1.032","","","","has coordinates","179273","2020-10-21","18:00:00","" "4319328","7.469","0.002","23.637","0.005","12.788","0.004","90","","91.13","0.03","90","","2257.2","1","203","2","203","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","[(Mes)2DAP]GeN3","","","- C23 H29 Ge N5 -","- C23 H29 Ge N5 -","- C92 H116 Ge4 N20 -","4","1","","Ashley E. Ayers; Thomas M. Klapötke; H. V. Rasika Dias","Azido Derivatives of Germanium(II) and Tin(II): Syntheses and Characterization of [(Mes)2DAP]GeN3, [(Mes)2DAP]SnN3, and the Corresponding Chloro Analogues Featuring Heterocyclic Six-π-Electron Ring Systems (where [(Mes)2DAP] = {N(Mes)C(Me)}2CH)","Inorganic Chemistry","2001","40","","1000","1005","10.1021/ic001078j","","","0.71073","MoKα","","0.0678","0.0473","","","0.113","0.1242","","","","","","1.039","","","","has coordinates","179273","2020-10-21","18:00:00","" "4319329","10.8207","0.0011","15.254","0.002","14.9234","0.0016","90","","108.285","0.009","90","","2338.9","0.5","228","2","228","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","[(Mes)2DAP]SnN3","","","- C23 H29 N5 Sn -","- C23 H29 N5 Sn -","- C92 H116 N20 Sn4 -","4","1","","Ashley E. Ayers; Thomas M. Klapötke; H. V. Rasika Dias","Azido Derivatives of Germanium(II) and Tin(II): Syntheses and Characterization of [(Mes)2DAP]GeN3, [(Mes)2DAP]SnN3, and the Corresponding Chloro Analogues Featuring Heterocyclic Six-π-Electron Ring Systems (where [(Mes)2DAP] = {N(Mes)C(Me)}2CH)","Inorganic Chemistry","2001","40","","1000","1005","10.1021/ic001078j","","","0.71073","MoKα","","0.0464","0.0442","","","0.1077","0.1098","","","","","","1.058","","","","has coordinates","179273","2020-10-21","18:00:00","" "4319330","24.485","0.003","24.485","0.003","27.103","0.003","90","","90","","120","","14072","3","293","2","293","2","","","","","","","","7","R -3 :H","-R 3","148","","","","- C39 H106 N12 O47 P6 S3 Sn3 -","- C39 H57 N12 O47 P6 S3 Sn3 -","- C234 H342 N72 O282 P36 S18 Sn18 -","6","0.333333","","José S. Casas; Eduardo E. Castellano; María D. Couce; María S. García-Tasende; Agustín Sánchez; José Sordo; Carmen Taboada; Ezequiel M. Vázquez-López","Reaction of Thiamine Diphosphate Hydrochloride (H3TDPCl) With Methylphenyltin(IV) Dichloride in Water. Molecular and Crystal Structures of the Oxygen-Capped Cluster [{SnMe(HTDP)(OH)}3O](OH).21H2O, in Which Thiamine Diphosphate Coordinates via Its Terminal Phosphate Group","Inorganic Chemistry","2001","40","","946","951","10.1021/ic001088k","","","0.71073","MoKα","","0.1121","0.0562","","","0.1493","0.1716","","","","","","0.952","","","","has coordinates","179273","2020-10-21","18:00:00","" "4319331","10.237","0.002","17.537","0.004","14.713","0.003","90","","100.35","0.01","90","","2598.4","0.9","298.2","","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H64 N8 O44 Ti4 -","- C24 H56 N8 O44 Ti4 -","- C48 H112 N16 O88 Ti8 -","2","0.5","","Masato Kakihana; Masaru Tada; Motoo Shiro; Valery Petrykin; Minoru Osada; Yoshiyuki Nakamura","Structure and Stability of Water Soluble (NH4)8[Ti4(C6H4O7)4(O2)4].8H2O","Inorganic Chemistry","2001","40","","891","894","10.1021/ic001098l","","","0.7107","MoKα","","","0.0389","","","","0.1215","","","","","","1.359","","","","has coordinates","176467","2020-10-21","18:00:00","" "4319332","8.988","0.005","12.123","0.004","12.4341","0.0021","79.769","0.002","78.6","0.03","74.15","0.04","1266.6","0.9","293","","293","","","","","","","","","6","P -1","-P 1","2","","","","- C18 H22 As Cr2 N O10 -","- C18 H22 As Cr2 N O10 -","- C36 H44 As2 Cr4 N2 O20 -","2","1","","Jiann-Jang Cherng; Yun-Wen Lai; Yi-Hung Liu; Shie-Ming Peng; Chuen-Her Ueng; Minghuey Shieh","Syntheses of Chromium Pentacarbonyl Derivatives of Arsenic(V) and Antimony(V). Contrasting Chemical Reactivity with Organic Halogen Derivatives","Inorganic Chemistry","2001","40","","1206","1212","10.1021/ic0004277","","","0.7093","MolybdenumKα","","0.115","0.048","","0.042","0.041","","","","","2.69","2.69","","","","","has coordinates","176467","2020-10-21","18:00:00","" "4319333","13.4332","0.0003","13.8294","0.0004","22.4643","0.0006","90","","92.41","0.001","90","","4169.57","0.19","295","2","295","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C31 H41 As Cr3 N2 O15 -","- C31 H41 As Cr3 N2 O15 -","- C124 H164 As4 Cr12 N8 O60 -","4","1","","Jiann-Jang Cherng; Yun-Wen Lai; Yi-Hung Liu; Shie-Ming Peng; Chuen-Her Ueng; Minghuey Shieh","Syntheses of Chromium Pentacarbonyl Derivatives of Arsenic(V) and Antimony(V). Contrasting Chemical Reactivity with Organic Halogen Derivatives","Inorganic Chemistry","2001","40","","1206","1212","10.1021/ic0004277","","","0.71073","MoKα","","0.0878","0.0496","","0.1306","0.1097","","","","1.05","1.124","1.124","","","","","has coordinates,has disorder","179273","2020-10-21","18:00:00","" "4319334","13.224","0.005","23.477","0.003","26.754","0.004","90","","90","","90","","8306","4","293","","293","","","","","","","","","6","P c n b","-P 2b 2ac","60","","","","- C31 H41 Cr3 N2 O15 Sb -","- C31 H41 Cr3 N2 O15 Sb -","- C248 H328 Cr24 N16 O120 Sb8 -","8","1","","Jiann-Jang Cherng; Yun-Wen Lai; Yi-Hung Liu; Shie-Ming Peng; Chuen-Her Ueng; Minghuey Shieh","Syntheses of Chromium Pentacarbonyl Derivatives of Arsenic(V) and Antimony(V). Contrasting Chemical Reactivity with Organic Halogen Derivatives","Inorganic Chemistry","2001","40","","1206","1212","10.1021/ic0004277","","","0.7093","MolybdenumKα","","0.164","0.057","","0.051","0.048","","","","","2.05","2.05","","","","","has coordinates","176467","2020-10-21","18:00:00","" "4319335","21.547","0.0003","12.3999","0.0001","23.5648","0.0003","90","","100.177","0.001","90","","6197","0.13","150","2","150","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C25 H27 As Br Cr2 N O10 -","- C25 H27 As Br Cr2 N O10 -","- C200 H216 As8 Br8 Cr16 N8 O80 -","8","1","","Jiann-Jang Cherng; Yun-Wen Lai; Yi-Hung Liu; Shie-Ming Peng; Chuen-Her Ueng; Minghuey Shieh","Syntheses of Chromium Pentacarbonyl Derivatives of Arsenic(V) and Antimony(V). Contrasting Chemical Reactivity with Organic Halogen Derivatives","Inorganic Chemistry","2001","40","","1206","1212","10.1021/ic0004277","","","0.71073","MoKα","","0.0437","0.0289","","0.0762","0.0681","","","","1.041","1.068","1.068","","","","","has coordinates","179273","2020-10-21","18:00:00","" "4319336","11.9041","0.0003","13.1714","0.0004","35.6497","0.0007","90","","90","","90","","5589.6","0.2","296","2","296","2","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C18 H20 Cl2 Cr2 N O10 Sb -","- C18 H20 Cl2 Cr2 N O10 Sb -","- C144 H160 Cl16 Cr16 N8 O80 Sb8 -","8","2","","Jiann-Jang Cherng; Yun-Wen Lai; Yi-Hung Liu; Shie-Ming Peng; Chuen-Her Ueng; Minghuey Shieh","Syntheses of Chromium Pentacarbonyl Derivatives of Arsenic(V) and Antimony(V). Contrasting Chemical Reactivity with Organic Halogen Derivatives","Inorganic Chemistry","2001","40","","1206","1212","10.1021/ic0004277","","","0.71073","MoKα","","0.0451","0.0369","","0.1098","0.0998","","","","1.146","1.118","1.118","","","","","has coordinates,has disorder","179273","2020-10-21","18:00:00","" "4319337","17.073","0.003","14.288","0.003","17.074","0.003","90","","110.42","0.03","90","","3903.3","1.5","293","","293","","","","","","","","","9","P 1 21/n 1","-P 2yn","14","","","","- C26.5 H37 Br Cl Cr2 I N O10 Sb -","- C27 H37 Br Cl Cr2 I N O10 Sb -","- C108 H148 Br4 Cl4 Cr8 I4 N4 O40 Sb4 -","4","1","","Jiann-Jang Cherng; Yun-Wen Lai; Yi-Hung Liu; Shie-Ming Peng; Chuen-Her Ueng; Minghuey Shieh","Syntheses of Chromium Pentacarbonyl Derivatives of Arsenic(V) and Antimony(V). Contrasting Chemical Reactivity with Organic Halogen Derivatives","Inorganic Chemistry","2001","40","","1206","1212","10.1021/ic0004277","","","0.7093","MolybdenumKα","","0.083","0.036","","0.042","0.038","","","","","1.55","1.55","","","","","has coordinates","176467","2020-10-21","18:00:00","" "4319338","16.48","0.003","28.321","0.006","12.969","0.003","90","","110.28","0.02","90","","5678","2","293","2","293","2","","","","","","","","7","C 1 2/m 1","-C 2y","12","","","","- C37 H37 Cu Na5 O23.5 P2 S6 -","- C38 H24 Cu Na5 O24 P2 S6 -","- C152 H96 Cu4 Na20 O96 P8 S24 -","4","0.5","","Francesco Tisato; Fiorenzo Refosco; Giuliano Bandoli; Giuseppe Pilloni; Benedetto Corain","Synthesis, Characterization, and Crystal Structure of the Water Soluble Copper(I) Complex with Trisulfonated Triphenylphosphine","Inorganic Chemistry","2001","40","","1394","1396","10.1021/ic0004378","","","0.71073","MoKα","","0.1323","0.106","","0.3895","0.3067","","","","1.107","1.175","1.175","","","","","has coordinates","176467","2020-10-21","18:00:00","" "4319339","14.705","0.003","17.705","0.004","21.528","0.003","108.99","0.015","91.612","0.013","111.66","0.02","4855","1.9","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C57 H45 N6 P3 -","- C57 H45 N6 P3 -","- C228 H180 N24 P12 -","4","2","","Elmar Kessenich; Kurt Polborn; Axel Schulz","Reaction of 2,4,6-Triazido-1,3,5-triazine with Triphenylphosphane. Syntheses and Characterization of the Novel 2-Triphenylphosphanimino-4-azidotetrazolo[5,1-a]-[1,3,5]triazine and 2,4,6-Tris(triphenylphosphanimino)-1,3,5-triazine","Inorganic Chemistry","2001","40","","1102","1109","10.1021/ic000526k","","","0.71073","MoKα","","0.0968","0.0636","","0.1637","0.1434","","","","1.026","1.083","1.083","","","","","has coordinates","179273","2020-10-21","18:00:00","" "4319340","42.059","0.006","13.916","0.004","15.995","0.004","90","0.03","101.77","0.02","90","0.02","9165","4","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C44 H34 Cl2 N20 P2 -","- C44 H34 Cl2 N20 P2 -","- C352 H272 Cl16 N160 P16 -","8","1","","Elmar Kessenich; Kurt Polborn; Axel Schulz","Reaction of 2,4,6-Triazido-1,3,5-triazine with Triphenylphosphane. Syntheses and Characterization of the Novel 2-Triphenylphosphanimino-4-azidotetrazolo[5,1-a]-[1,3,5]triazine and 2,4,6-Tris(triphenylphosphanimino)-1,3,5-triazine","Inorganic Chemistry","2001","40","","1102","1109","10.1021/ic000526k","","","0.71073","MoKα","","0.1293","0.0758","","0.1946","0.1632","","","","1.016","1.116","1.116","","","","","has coordinates","179273","2020-10-21","18:00:00","" "4319341","12.154","0.002","12.569","0.003","16.013","0.003","102.1","0.03","100.87","0.03","93.88","0.03","2334.3","0.9","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C46 H50 B2 F8 N4 P2 Pt -","- C46 H30 B2 F8 N4 P2 Pt -","- C92 H60 B4 F16 N8 P4 Pt2 -","2","1","","Cristina M. P. Ferreira; M. Fátima C. Guedes da Silva; João J. R. Fraústo da Silva; Armando J. L. Pombeiro; Vadim Yu. Kukushkin; Rino A. Michelin","Azametallacycles from Ag(I)- or Cu(II)-Promoted Coupling Reactions of Dialkylcyanamides with Oximes at Pt(II)","Inorganic Chemistry","2001","40","","1134","1142","10.1021/ic000553a","","","1.54179","CuKα","","0.0351","0.0351","","0.0946","0.0946","","","","1.081","","","","","","","has coordinates","179273","2020-10-21","18:00:00","" "4319342","10.382","0.002","23.144","0.005","18.499","0.004","90","","91.23","0.03","90","","4443.9","1.6","293","2","293","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C44 H47 B2 F8 N3 O P2 Pt -","- C44 H47 B2 F8 N3 O P2 Pt -","- C176 H188 B8 F32 N12 O4 P8 Pt4 -","4","1","","Cristina M. P. Ferreira; M. Fátima C. Guedes da Silva; João J. R. Fraústo da Silva; Armando J. L. Pombeiro; Vadim Yu. Kukushkin; Rino A. Michelin","Azametallacycles from Ag(I)- or Cu(II)-Promoted Coupling Reactions of Dialkylcyanamides with Oximes at Pt(II)","Inorganic Chemistry","2001","40","","1134","1142","10.1021/ic000553a","","","0.71073","MoKα","","0.0258","0.0258","","0.067","0.067","","","","1.054","","","","","","","has coordinates","179273","2020-10-21","18:00:00","" "4319343","13.094","0.002","13.111","0.003","16.595","0.003","75.199","0.014","82.33","0.013","86.936","0.015","2729.2","0.9","183","2","183","2","","","","","","","","5","P -1","-P 1","2","","","","- C23.5 H79.5 Al6 N10 Si8 -","- C23.5 H79.5 Al6 N10 Si8 -","- C47 H159 Al12 N20 Si16 -","2","1","","Ulrike Fooken; Masood A. Khan; Rudolf. J. Wehmschulte","Novel Aluminum Hydride Derivatives from the Reaction of H~3~Al.NMe~3~ with the Cyclosilazanes [Me~2~SiNH]~3~ and [Me~2~SiNH]~4~","Inorganic Chemistry","2001","40","","1316","1322","10.1021/ic000636r","","","0.71073","MoKα","","0.0942","0.0614","","0.1977","0.1581","","","","1.089","1.094","1.094","","","","","has coordinates","176467","2020-10-21","18:00:00","" "4319344","18.229","0.002","12.3414","0.0015","13.34","0.002","90","","96.906","0.007","90","","2979.3","0.7","163","2","163","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H51 Al3 N6 Si3 -","- C15 H51 Al3 N6 Si3 -","- C60 H204 Al12 N24 Si12 -","4","1","","Ulrike Fooken; Masood A. Khan; Rudolf. J. Wehmschulte","Novel Aluminum Hydride Derivatives from the Reaction of H~3~Al.NMe~3~ with the Cyclosilazanes [Me~2~SiNH]~3~ and [Me~2~SiNH]~4~","Inorganic Chemistry","2001","40","","1316","1322","10.1021/ic000636r","","","0.71073","MoKα","","0.0427","0.0341","","0.0959","0.087","","","","1.053","1.071","1.071","","","","","has coordinates","179273","2020-10-21","18:00:00","" "4319345","12.595","0.002","8.7421","0.0015","16.023","0.003","90","","96.59","0.015","90","","1752.6","0.5","158","2","158","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H58 Al2 N8 Si6 -","- C18 H58 Al2 N8 Si6 -","- C36 H116 Al4 N16 Si12 -","2","0.5","","Ulrike Fooken; Masood A. Khan; Rudolf. J. Wehmschulte","Novel Aluminum Hydride Derivatives from the Reaction of H~3~Al.NMe~3~ with the Cyclosilazanes [Me~2~SiNH]~3~ and [Me~2~SiNH]~4~","Inorganic Chemistry","2001","40","","1316","1322","10.1021/ic000636r","","","0.71073","MoKα","","0.0629","0.0426","","0.1256","0.1042","","","","1.015","1.027","1.027","","","","","has coordinates","179273","2020-10-21","18:00:00","" "4319346","8.4452","0.0009","12.068","0.002","12.949","0.002","70.669","0.013","79.541","0.01","73.873","0.011","1190.5","0.3","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C12 H41 Al2 N5 Si3 -","- C12 H41 Al2 N5 Si3 -","- C24 H82 Al4 N10 Si6 -","2","1","","Ulrike Fooken; Masood A. Khan; Rudolf. J. Wehmschulte","Novel Aluminum Hydride Derivatives from the Reaction of H~3~Al.NMe~3~ with the Cyclosilazanes [Me~2~SiNH]~3~ and [Me~2~SiNH]~4~","Inorganic Chemistry","2001","40","","1316","1322","10.1021/ic000636r","","","0.71073","MoKα","","0.0692","0.0513","","0.1985","0.133","","","","1.046","1.058","1.058","","","","","has coordinates","179273","2020-10-21","18:00:00","" "4319347","21.9908","0.0015","13.937","0.002","17.5586","0.001","90","","90","","90","","5381.5","0.9","178","2","178","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C28 H79 Al5 N10 Si8 -","- C28 H79 Al5 N10 Si8 -","- C112 H316 Al20 N40 Si32 -","4","1","","Ulrike Fooken; Masood A. Khan; Rudolf. J. Wehmschulte","Novel Aluminum Hydride Derivatives from the Reaction of H~3~Al.NMe~3~ with the Cyclosilazanes [Me~2~SiNH]~3~ and [Me~2~SiNH]~4~","Inorganic Chemistry","2001","40","","1316","1322","10.1021/ic000636r","","","0.71073","MoKα","","0.0568","0.0418","","0.1122","0.0971","","","","1.027","1.038","1.038","","","","","has coordinates","179273","2020-10-21","18:00:00","" "4319348","9.803","0.002","9.124","0.002","34.714","0.007","90","","90","","90","","3104.9","1.1","293","2","293","2","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- Hg5 Rb4 Te13 -","- Hg5 Rb4 Te13 -","- Hg20 Rb16 Te52 -","4","0.5","","Xuean Chen; Xiaoying Huang; Jing Li","Rb~4~Hg~5~(Te~2~)~2~(Te~3~)~2~Te~3, [Zn(en)~3~]~4~In~16~(Te~2~)~4~(Te~3~)Te~22~, and K~2~Cu~2~(Te~2~)(Te~3~): Novel Metal Polytellurides with Unusual Metal-Tellurium Coordination","Inorganic Chemistry","2001","40","","1341","1346","10.1021/ic000648c","","","0.71073","MoKα","","0.1105","0.0423","","","0.0701","0.0785","","","","","","1.17","","","","has coordinates","179273","2020-10-21","18:00:00","" "4319349","36.814","0.007","16.908","0.003","25.302","0.005","90","","128.46","0.03","90","","12332","7","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C12 H48 In8 N12 Te16.5 Zn2 -","- C12 H48 In8 N12 Te16.5 Zn2 -","- C96 H384 In64 N96 Te132 Zn16 -","8","1","","Xuean Chen; Xiaoying Huang; Jing Li","Rb~4~Hg~5~(Te~2~)~2~(Te~3~)~2~Te~3, [Zn(en)~3~]~4~In~16~(Te~2~)~4~(Te~3~)Te~22~, and K~2~Cu~2~(Te~2~)(Te~3~): Novel Metal Polytellurides with Unusual Metal-Tellurium Coordination","Inorganic Chemistry","2001","40","","1341","1346","10.1021/ic000648c","","","0.71073","MoKα","","0.2032","0.0739","","","0.0868","0.109","","","","","","1.028","","","","has coordinates","176467","2020-10-21","18:00:00","" "4319350","11.386","0.002","7.756","0.002","11.985","0.002","90","","90","","90","","1058.4","0.4","293","2","293","2","","","","","","","","3","C m c m","-C 2c 2","63","","","","- Cu2 K2 Te5 -","- Cu2 K2 Te5 -","- Cu8 K8 Te20 -","4","0.25","","Xuean Chen; Xiaoying Huang; Jing Li","Rb~4~Hg~5~(Te~2~)~2~(Te~3~)~2~Te~3, [Zn(en)~3~]~4~In~16~(Te~2~)~4~(Te~3~)Te~22~, and K~2~Cu~2~(Te~2~)(Te~3~): Novel Metal Polytellurides with Unusual Metal-Tellurium Coordination","Inorganic Chemistry","2001","40","","1341","1346","10.1021/ic000648c","","","0.71073","MoKα","","0.0546","0.0317","","","0.064","0.0686","","","","","","1.134","","","","has coordinates","179273","2020-10-21","18:00:00","" "4319351","8.8486","0.0016","8.8486","0.0016","20.076","0.005","90","","90","","90","","1571.9","0.6","293","2","293","2","","","","","","","","6","P 42/n :2","-P 4bc","86","","","","- C30 H22 Cl2 Co N6 O8 -","- C30 H22 Cl2 Co N6 O9 -","- C60 H44 Cl4 Co2 N12 O18 -","2","0.25","","Hiroki Oshio; Hartmut Spiering; Vadim Ksenofontov; Franz Renz; Philipp Gütlich","Electronic Relaxation Phenomena Following 57Co(EC)57Fe Nuclear Decay in [MnII(terpy)2](ClO4)2.1/2H2O and in the Spin Crossover Complexes [CoII(terpy)2]X2.nH2O (X = Cl and ClO4): A Mössbauer Emission Spectroscopic Study","Inorganic Chemistry","2001","40","","1143","1150","10.1021/ic000714a","","","0.71073","MoKα","","0.0677","0.0349","","","0.0774","0.0892","","","","","","0.937","","","","has coordinates","179273","2020-10-21","18:00:00","" "4319352","8.8079","0.0003","8.8079","0.0003","40.035","0.002","90","","90","","90","","3105.9","0.2","293","2","293","2","","","","","","","","6","P 43","P 4cw","78","","","","- C30 H22 Cl2 Mn N6 O9 -","- C30 H22 Cl2 Mn N6 O8.5 -","- C120 H88 Cl8 Mn4 N24 O34 -","4","1","","Hiroki Oshio; Hartmut Spiering; Vadim Ksenofontov; Franz Renz; Philipp Gütlich","Electronic Relaxation Phenomena Following 57Co(EC)57Fe Nuclear Decay in [MnII(terpy)2](ClO4)2.1/2H2O and in the Spin Crossover Complexes [CoII(terpy)2]X2.nH2O (X = Cl and ClO4): A Mössbauer Emission Spectroscopic Study","Inorganic Chemistry","2001","40","","1143","1150","10.1021/ic000714a","","","0.71073","MoKα","","0.054","0.0507","","","0.1235","0.1255","","","","","","1.039","","","","has coordinates","179273","2020-10-21","18:00:00","" "4319353","8.8102","0.0006","8.8967","0.0006","19.9231","0.0013","90","","100.712","0.001","90","","1534.39","0.18","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C30 H23 Cl2 Fe N6 O8 -","- C30 H22 Cl2 Fe N6 O8.5 -","- C60 H44 Cl4 Fe2 N12 O17 -","2","1","","Hiroki Oshio; Hartmut Spiering; Vadim Ksenofontov; Franz Renz; Philipp Gütlich","Electronic Relaxation Phenomena Following 57Co(EC)57Fe Nuclear Decay in [MnII(terpy)2](ClO4)2.1/2H2O and in the Spin Crossover Complexes [CoII(terpy)2]X2.nH2O (X = Cl and ClO4): A Mössbauer Emission Spectroscopic Study","Inorganic Chemistry","2001","40","","1143","1150","10.1021/ic000714a","","","0.71073","MoKα","","0.047","0.0435","","","0.1115","0.1138","","","","","","1.023","","","","has coordinates","179273","2020-10-21","18:00:00","" "4319354","18.616","0.003","10.551","0.002","28.274","0.004","90","","98.34","0.01","90","","5494.8","1.6","183","2","183","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C30 H40 Fe2 N2 O2 -","- C30 H40 Fe2 N2 O2 -","- C240 H320 Fe16 N16 O16 -","8","2","","Otto Knoesen; Philippus L. Wessels; Helmar Görls; Simon Lotz","Structures of a Tetradentate Ferrocenyl Ligand and Its Oxorhenium(V) Complex in Solution and in the Solid State","Inorganic Chemistry","2001","40","","1199","1205","10.1021/ic000746y","","","0.71073","MoKα","","0.1467","0.0496","","","0.0982","0.113","","","","","","0.905","","","","has coordinates,has disorder","192782","2020-10-21","18:00:00","" "4319355","28.7628","0.0003","28.7628","0.0003","33.2935","0.0007","90","","90","","120","","23853.5","0.6","293","2","293","2","","","","","","","","8","R 3 c :H","R 3 -2""c","161","","","","- C48 H53 F6 Fe2 N2 O3 P2 Re -","- C48 H53 F6 Fe2 N2 O3 P2 Re -","- C864 H954 F108 Fe36 N36 O54 P36 Re18 -","18","1","","Otto Knoesen; Philippus L. Wessels; Helmar Görls; Simon Lotz","Structures of a Tetradentate Ferrocenyl Ligand and Its Oxorhenium(V) Complex in Solution and in the Solid State","Inorganic Chemistry","2001","40","","1199","1205","10.1021/ic000746y","","","0.71073","MoKα","","0.0375","0.035","","","0.093","0.0955","","","","","","1.002","","","","has coordinates","192782","2020-10-21","18:00:00","" "4319356","8.842","0.0018","13.161","0.003","13.831","0.003","110.08","0.03","95.23","0.03","93.72","0.03","1497.4","0.6","153","2","153","2","","","","","","","","7","P -1","-P 1","2","","","","- C38 H70 Cl2 N14 Ni3 O10 Se4 -","- C38 H70 Cl2 N14 Ni3 O10 Se4 -","- C38 H70 Cl2 N14 Ni3 O10 Se4 -","1","0.5","","Craig C. McLauchlan; Scott D. Robowski; James A. Ibers","Syntheses and Characterization of the Metal Maleonitrilediselenolates [K([2.2.2]-cryptand)]2[M(Se2C2(CN)2)2] (M = Ni, Pd, Pt) and [Ni(dmf)5Cl]2[Ni(Se2C2(CN)2)2]","Inorganic Chemistry","2001","40","","1372","1375","10.1021/ic0008666","","","0.71073","MoKα","","0.0389","0.0282","","","0.0629","0.0649","","","","","","1.065","","","","has coordinates","179273","2020-10-21","18:00:00","" "4319357","12.2906","0.0008","15.6686","0.001","15.5476","0.001","90","","108.554","0.011","90","","2838.5","0.4","153","2","153","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","Bis([2.2.2]-cryptand) Palladium-bis(maleonitrilediselenolate)","","","- C44 H72 K2 N8 O12 Pd Se4 -","- C43.064 H72 K2 N7.532 O12 Pd Se4.468 -","- C86.128 H144 K4 N15.064 O24 Pd2 Se8.936 -","2","0.5","","Craig C. McLauchlan; Scott D. Robowski; James A. Ibers","Syntheses and Characterization of the Metal Maleonitrilediselenolates [K([2.2.2]-cryptand)]2[M(Se2C2(CN)2)2] (M = Ni, Pd, Pt) and [Ni(dmf)5Cl]2[Ni(Se2C2(CN)2)2]","Inorganic Chemistry","2001","40","","1372","1375","10.1021/ic0008666","","","0.71073","MoKα","","0.0899","0.0436","","","0.085","0.0904","","","","","","0.856","","","","has coordinates,has disorder","179273","2020-10-21","18:00:00","" "4319358","12.292","0.003","15.671","0.003","15.569","0.003","90","","108.59","0.03","90","","2842.5","1.2","153","2","153","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","Bis([2.2.2]-cryptand) Platinum-bis(maleonitrilediselenolate)","","","- C44 H72 K2 N8 O12 Pt Se4 -","- C44 H72 K2 N8 O12 Pt Se4 -","- C88 H144 K4 N16 O24 Pt2 Se8 -","2","0.5","","Craig C. McLauchlan; Scott D. Robowski; James A. Ibers","Syntheses and Characterization of the Metal Maleonitrilediselenolates [K([2.2.2]-cryptand)]2[M(Se2C2(CN)2)2] (M = Ni, Pd, Pt) and [Ni(dmf)5Cl]2[Ni(Se2C2(CN)2)2]","Inorganic Chemistry","2001","40","","1372","1375","10.1021/ic0008666","","","0.71073","MoKα","","0.0557","0.0386","","","0.0813","0.084","","","","","","1.324","","","","has coordinates","179273","2020-10-21","18:00:00","" "4319359","11.3006","0.0004","12.0886","0.0005","22.9589","0.0009","81.799","0.002","79.787","0.002","62.873","0.002","2740.3","0.19","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C49 H46 Cu2 Mo N16 O6 -","- C49 H32 Cu2 Mo N16 O6 -","- C98 H64 Cu4 Mo2 N32 O12 -","2","1","","Guillaume Rombaut; Marc Verelst; Stéphane Golhen; Lahcène Ouahab; Corine Mathonière; Olivier Kahn","Structural and Photomagnetic Studies of Two Compounds in the System Cu2+/Mo(CN)84-: From Trinuclear Molecule to Infinite Network","Inorganic Chemistry","2001","40","","1151","1159","10.1021/ic0008722","","","0.71073","MoKα","","0.1315","0.0788","","","0.2055","0.2388","","","","","","1.071","","","","has coordinates","179273","2020-10-21","18:00:00","" "4319360","9.7178","0.001","17.4695","0.0023","23.109","0.003","90","","91.864","0.012","90","","3921","0.8","293","","295","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C44 H37 Cl N4 O3 P2 Ru -","- C44 H37 Cl N4 O3 P2 Ru -","- C176 H148 Cl4 N16 O12 P8 Ru4 -","4","1","","Falguni Basuli; Shie-Ming Peng; Samaresh Bhattacharya","Chemical Control on the Coordination Mode of Benzaldehyde Semicarbazone Ligands. Synthesis, Structure, and Redox Properties of Ruthenium Complexes","Inorganic Chemistry","2001","40","","1126","1133","10.1021/ic000915e","","","0.71073","MolybdenumKα","","0.047","0.036","","0.048","0.04","","","","","1.26","1.26","","","","","has coordinates","176467","2020-10-21","18:00:00","" "4319361","10.212","0.002","13.011","0.002","17.218","0.003","111.17","0.02","91.12","0.02","106.337","0.013","2028.4","0.7","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C45 H37 Cl N4 O4 P2 Ru -","- C45 H37 Cl N4 O4 P2 Ru -","- C90 H74 Cl2 N8 O8 P4 Ru2 -","2","1","","Falguni Basuli; Shie-Ming Peng; Samaresh Bhattacharya","Chemical Control on the Coordination Mode of Benzaldehyde Semicarbazone Ligands. Synthesis, Structure, and Redox Properties of Ruthenium Complexes","Inorganic Chemistry","2001","40","","1126","1133","10.1021/ic000915e","","","0.71073","MoKα","","0.0443","0.0297","","0.085","0.0794","","","","1.032","1.103","1.103","","","","","has coordinates","179273","2020-10-21","18:00:00","" "4319362","16.9298","0.0002","17.6296","0.0002","17.9285","0.0001","74.937","0.001","67.473","0.001","80.209","0.001","4757.99","0.09","295","2","295","2","","","","","","","","7","P -1","-P 1","2","","","","- C50 H42.5 Cl2 N4 O4 P2 Ru -","- C50 H42.5 Cl2 N4 O4 P2 Ru -","- C200 H170 Cl8 N16 O16 P8 Ru4 -","4","2","","Falguni Basuli; Shie-Ming Peng; Samaresh Bhattacharya","Chemical Control on the Coordination Mode of Benzaldehyde Semicarbazone Ligands. Synthesis, Structure, and Redox Properties of Ruthenium Complexes","Inorganic Chemistry","2001","40","","1126","1133","10.1021/ic000915e","","","0.71073","MoKα","","0.1014","0.0647","","0.1749","0.1538","","","","1.048","1.092","1.092","","","","","has coordinates","176467","2020-10-21","18:00:00","" "4319363","8.294","0.002","18.364","0.003","15.674","0.003","90","","94.73","0.02","90","","2379.2","0.8","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C11 H31 Cl3 Cu N6 O12 -","- C11 H31 Cl3 Cu N6 O12.016 -","- C44 H124 Cl12 Cu4 N24 O48.064 -","4","1","","Paul V. Bernhardt","Diverse Solid-State and Solution Structures within a Series of Hexaamine Dicopper(II) Complexes","Inorganic Chemistry","2001","40","","1086","1092","10.1021/ic000928s","","","0.71073","MoKα","","0.0846","0.0521","","0.1516","0.1287","","","","1.023","1.063","1.063","","","","","has coordinates,has disorder","179273","2020-10-21","18:00:00","" "4319364","9.4888","0.0008","13.353","0.001","15.329","0.001","110.25","0.007","90.068","0.008","105.081","0.008","1750.5","0.3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C40 H100 Cl4 Cu4 N12 O26 -","- C40 H92 Cl4 Cu4 N12 O26 -","- C40 H92 Cl4 Cu4 N12 O26 -","1","0.5","","Paul V. Bernhardt","Diverse Solid-State and Solution Structures within a Series of Hexaamine Dicopper(II) Complexes","Inorganic Chemistry","2001","40","","1086","1092","10.1021/ic000928s","","","0.71073","MoKα","","0.1094","0.0685","","","0.1891","0.2183","","","","","","1.041","","","","has coordinates,has disorder","179273","2020-10-21","18:00:00","" "4319365","7.225","0.002","8.5555","0.0005","23.134","0.008","90","","92.37","0.01","90","","1428.8","0.6","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C12 H36 Cl4 Cu2 N6 O18 -","- C12 H36 Cl4 Cu2 N6 O18 -","- C24 H72 Cl8 Cu4 N12 O36 -","2","0.5","","Paul V. Bernhardt","Diverse Solid-State and Solution Structures within a Series of Hexaamine Dicopper(II) Complexes","Inorganic Chemistry","2001","40","","1086","1092","10.1021/ic000928s","","","0.71073","MoKα","","0.0533","0.044","","","0.1201","0.1274","","","","","","1.037","","","","has coordinates","179273","2020-10-21","18:00:00","" "4319366","15.204","0.005","7.681","0.0007","29.37","0.01","90","","100.42","0.02","90","","3373.3","1.6","293","2","293","2","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C13 H44 Cl4 Cu2 N6 O21 -","- C13 H44 Cl4 Cu2 N6 O21 -","- C52 H176 Cl16 Cu8 N24 O84 -","4","1","","Paul V. Bernhardt","Diverse Solid-State and Solution Structures within a Series of Hexaamine Dicopper(II) Complexes","Inorganic Chemistry","2001","40","","1086","1092","10.1021/ic000928s","","","0.71073","MoKα","","0.1302","0.0668","","","0.1876","0.2338","","","","","","1.01","","","","has coordinates,has disorder","179273","2020-10-21","18:00:00","" "4319367","13.998","0.002","17.441","0.003","20.229","0.001","90","","97.4","0.01","90","","4897.6","1.1","213","2","213","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C94 H94 Cl4 Mo4 N12 O16 -","- C94 H90 Cl4 Mo4 N12 O16 -","- C188 H180 Cl8 Mo8 N24 O32 -","2","0.5","","F. Albert Cotton; James P. Donahue; Chun Lin; Carlos A. Murillo","The Simplest Supramolecular Complexes Containing Pairs of Mo2(formamidinate)3 Units Linked with Various Dicarboxylates: Preparative Methods, Structures, and Electrochemistry","Inorganic Chemistry","2001","40","","1234","1244","10.1021/ic000934o","","","0.71073","MoKα","","0.062","0.0524","","0.1292","0.1209","","","","1.096","","","","","","","has coordinates,has disorder","179273","2020-10-21","18:00:00","" "4319368","10.409","0.004","16.299","0.004","32.533","0.006","86.23","0.02","89.69","0.011","84.83","0.02","5485","3","213","2","213","2","","","","","","","synthesized","6","P -1","-P 1","2","","","","- C104.5 H114 Cl5 Mo4 N12 O16.5 -","- C101.06 H90 Cl5 Mo4 N12 O16.5 -","- C202.12 H180 Cl10 Mo8 N24 O33 -","2","1","","F. Albert Cotton; James P. Donahue; Chun Lin; Carlos A. Murillo","The Simplest Supramolecular Complexes Containing Pairs of Mo2(formamidinate)3 Units Linked with Various Dicarboxylates: Preparative Methods, Structures, and Electrochemistry","Inorganic Chemistry","2001","40","","1234","1244","10.1021/ic000934o","","","0.71073","MoKα","","0.114","0.0929","","0.2395","0.207","","","","1.121","1.115","1.115","","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00","" "4319369","10.458","0.001","34.382","0.002","27.257","0.001","90","","99.41","0.01","90","","9668.8","1.2","213","2","213","2","","","","","","","synthesized","6","P 1 21/c 1","-P 2ybc","14","","","","- C95.75 H95.5 Cl3.5 Mo4 N12 O16 -","- C95.75 H92 Cl3.5 Mo4 N12 O16 -","- C383 H368 Cl14 Mo16 N48 O64 -","4","1","","F. Albert Cotton; James P. Donahue; Chun Lin; Carlos A. Murillo","The Simplest Supramolecular Complexes Containing Pairs of Mo2(formamidinate)3 Units Linked with Various Dicarboxylates: Preparative Methods, Structures, and Electrochemistry","Inorganic Chemistry","2001","40","","1234","1244","10.1021/ic000934o","","","0.71073","MoKα","","0.085","0.0659","","0.1783","0.15","","","","1.128","1.098","1.098","","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00","" "4319370","9.791","0.001","15.756","0.002","18.09","0.003","76.65","0.01","79.61","0.01","87.63","0.01","2670.8","0.6","213","2","213","2","","","","","","","synthesized","7","P -1","-P 1","2","","","","- C106 H108 Cl4 F4 Mo4 N12 O16 -","- C105.06 H90 Cl4.318 F4 Mo4 N12 O16 -","- C105.06 H90 Cl4.318 F4 Mo4 N12 O16 -","1","0.5","","F. Albert Cotton; James P. Donahue; Chun Lin; Carlos A. Murillo","The Simplest Supramolecular Complexes Containing Pairs of Mo2(formamidinate)3 Units Linked with Various Dicarboxylates: Preparative Methods, Structures, and Electrochemistry","Inorganic Chemistry","2001","40","","1234","1244","10.1021/ic000934o","","","0.71073","MoKα","","0.0821","0.0676","","0.1875","0.1667","","","","1.057","1.057","1.057","","","","","has coordinates,has disorder","179273","2020-10-21","18:00:00","" "4319371","15.718","0.001","17.786","0.001","20.059","0.002","90","","92.76","0.01","90","","5601.2","0.7","213","2","213","2","","","","","","","synthesized","7","P 1 21/c 1","-P 2ybc","14","","","","- C96.9 H105.8 B10 Cl5.8 Mo4 N12 O16 -","- C96.9 H100 B10 Cl5.836 Mo4 N12 O16 -","- C193.8 H200 B20 Cl11.672 Mo8 N24 O32 -","2","0.5","","F. Albert Cotton; James P. Donahue; Chun Lin; Carlos A. Murillo","The Simplest Supramolecular Complexes Containing Pairs of Mo2(formamidinate)3 Units Linked with Various Dicarboxylates: Preparative Methods, Structures, and Electrochemistry","Inorganic Chemistry","2001","40","","1234","1244","10.1021/ic000934o","","","0.71073","MoKα","","0.1001","0.0772","","0.2412","0.1904","","","","1.081","1.018","1.018","","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00","" "4319372","11.525","0.002","13.101","0.001","20.178","0.004","72.68","0.03","87.93","0.03","65.33","0.01","2629.4","0.9","213","2","213","2","","","","","","","synthesized","7","P -1","-P 1","2","","","","- C104 H102 Cl4 Fe Mo4 N12 O16 -","- C104 H98 Cl4 Fe Mo4 N12 O16 -","- C104 H98 Cl4 Fe Mo4 N12 O16 -","1","0.5","","F. Albert Cotton; James P. Donahue; Chun Lin; Carlos A. Murillo","The Simplest Supramolecular Complexes Containing Pairs of Mo2(formamidinate)3 Units Linked with Various Dicarboxylates: Preparative Methods, Structures, and Electrochemistry","Inorganic Chemistry","2001","40","","1234","1244","10.1021/ic000934o","","","0.71073","MoKα","","0.0781","0.0629","","0.1631","0.144","","","","1.11","1.094","1.094","","","","","has coordinates,has disorder","179273","2020-10-21","18:00:00","" "4319373","10.2875","0.0009","26.534","0.002","33.857","0.003","90","","90.565","0.002","90","","9241.4","1.3","213","2","213","2","","","","","","","synthesized","6","P 1 21/n 1","-P 2yn","14","","","","- C94 H94 Cl2 Mo4 N12 O16 -","- C94 H94 Cl2 Mo4 N12 O16 -","- C376 H376 Cl8 Mo16 N48 O64 -","4","1","","F. Albert Cotton; James P. Donahue; Chun Lin; Carlos A. Murillo","The Simplest Supramolecular Complexes Containing Pairs of Mo2(formamidinate)3 Units Linked with Various Dicarboxylates: Preparative Methods, Structures, and Electrochemistry","Inorganic Chemistry","2001","40","","1234","1244","10.1021/ic000934o","","","0.71073","MoKα","","0.0987","0.0771","","0.1603","0.1476","","","","1.283","1.356","1.356","","","","","has coordinates","179273","2020-10-21","18:00:00","" "4319374","17.792","0.002","19.467","0.002","31.665","0.003","90","","104.36","0.002","90","","10624.7","1.9","213","2","213","2","","","","","","","synthesized","6","P 1 21/n 1","-P 2yn","14","","","","- C108 H127 Cl4 Mo4 N12 O16.5 -","- C109 H96 Cl4 Mo4 N12 O16.5 -","- C436 H384 Cl16 Mo16 N48 O66 -","4","1","","F. Albert Cotton; James P. Donahue; Chun Lin; Carlos A. Murillo","The Simplest Supramolecular Complexes Containing Pairs of Mo2(formamidinate)3 Units Linked with Various Dicarboxylates: Preparative Methods, Structures, and Electrochemistry","Inorganic Chemistry","2001","40","","1234","1244","10.1021/ic000934o","","","0.71073","MoKα","","0.1191","0.0693","","0.2021","0.166","","","","1.063","1.139","1.139","","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00","" "4319375","19.548","0.002","17.413","0.003","32.123","0.005","90","","93.19","0.01","90","","10917","3","213","2","213","2","","","","","","","synthesized","6","P 1 21/n 1","-P 2yn","14","","","","- C107.5 H121 Cl7 Mo4 N12 O16 -","- C108 H101 Cl7 Mo4 N12 O16 -","- C432 H404 Cl28 Mo16 N48 O64 -","4","1","","F. Albert Cotton; James P. Donahue; Chun Lin; Carlos A. Murillo","The Simplest Supramolecular Complexes Containing Pairs of Mo2(formamidinate)3 Units Linked with Various Dicarboxylates: Preparative Methods, Structures, and Electrochemistry","Inorganic Chemistry","2001","40","","1234","1244","10.1021/ic000934o","","","0.71073","MoKα","","0.0925","0.0772","","0.232","0.1979","","","","1.074","1.06","1.06","","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00","" "4319376","10.6542","0.0004","13.442","0.003","35.848","0.009","94.062","0.004","91.781","0.01","106.901","0.011","4892.7","1.7","213","2","213","2","","","","","","","synthesized","6","P -1","-P 1","2","","","","- C96.5 H99 Cl3 Mo4 N12 O16 -","- C96.5 H96 Cl3 Mo4 N12 O16 -","- C193 H192 Cl6 Mo8 N24 O32 -","2","1","","F. Albert Cotton; James P. Donahue; Chun Lin; Carlos A. Murillo","The Simplest Supramolecular Complexes Containing Pairs of Mo2(formamidinate)3 Units Linked with Various Dicarboxylates: Preparative Methods, Structures, and Electrochemistry","Inorganic Chemistry","2001","40","","1234","1244","10.1021/ic000934o","","","0.71073","MoKα","","0.0491","0.0462","","0.1322","0.1229","","","","1.08","1.076","1.076","","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00","" "4319377","17.431","0.002","19.63","0.01","31.801","0.006","90","","104.83","0.02","90","","10519","6","213","2","213","2","","","","","","","synthesized","7","P 1 21 1","P 2yb","4","","","","- C103.5 H111 Cl7 F4 Mo4 N12 O16 -","- C101.5 H97 Cl7 F4 Mo4 N12 O16 -","- C406 H388 Cl28 F16 Mo16 N48 O64 -","4","2","","F. Albert Cotton; James P. Donahue; Chun Lin; Carlos A. Murillo","The Simplest Supramolecular Complexes Containing Pairs of Mo2(formamidinate)3 Units Linked with Various Dicarboxylates: Preparative Methods, Structures, and Electrochemistry","Inorganic Chemistry","2001","40","","1234","1244","10.1021/ic000934o","","","0.71073","MoKα","","0.0536","0.0508","","0.132","0.1268","","","","1.102","1.086","1.086","","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00","" "4319378","16.604","0.002","17.407","0.009","18.953","0.012","76.89","0.03","81.14","0.04","81.24","0.03","5232","4","213","2","213","2","","","","","","","synthesized","6","P -1","-P 1","2","","","","- C101 H104 Cl8 Mo4 N12 O16 -","- C101 H104 Cl8 Mo4 N12 O16 -","- C202 H208 Cl16 Mo8 N24 O32 -","2","1","","F. Albert Cotton; James P. Donahue; Chun Lin; Carlos A. Murillo","The Simplest Supramolecular Complexes Containing Pairs of Mo2(formamidinate)3 Units Linked with Various Dicarboxylates: Preparative Methods, Structures, and Electrochemistry","Inorganic Chemistry","2001","40","","1234","1244","10.1021/ic000934o","","","0.71073","MoKα","","0.1077","0.0844","","0.2658","0.2044","","","","1.089","1.041","1.041","","","","","has coordinates,has disorder","179273","2020-10-21","18:00:00","" "4319379","4.3568","0.0009","12.465","0.003","6.7176","0.0015","90","","90.825","0.004","90","","364.78","0.14","293","2","293","2","","","","","","","","3","I 1 a 1","I -2ya","9","","","","- O4 Se Te -","- O4 Se Te -","- O16 Se4 Te4 -","4","1","","Yetta Porter; N. S. P. Bhuvanesh; P. Shiv Halasyamani","Synthesis and Characterization of Non-centrosymmetric TeSeO4","Inorganic Chemistry","2001","40","","1172","1175","10.1021/ic000994u","","","0.71073","MoKα","","0.0227","0.0226","","0.0583","0.0582","","","","0.839","0.839","0.839","","","","","has coordinates","179273","2020-10-21","18:00:00","" "4319380","6.9797","0.0015","8.3767","0.0015","23.76","0.005","90","","91.068","0.004","90","","1388.9","0.5","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","NDUF-1","","- C6 H14 F6 N2 O4 U2 -","- C6 H12 F6 N2 O4 U2 -","- C24 H48 F24 N8 O16 U8 -","4","1","","Christopher L. Cahill; Peter C. Burns","Building Unit and Topological Evolution in the Hydrothermal DABCO-U-F System","Inorganic Chemistry","2001","40","","1347","1351","10.1021/ic000998z","","","0.71073","MoKα","","0.1056","0.0528","","","0.1101","0.1211","","","","","","0.952","","","","has coordinates","179273","2020-10-21","18:00:00","" "4319381","15.4106","0.0008","15.4106","0.0008","10.8142","0.0008","90","","90","","120","","2224.2","0.2","293","2","293","2","","","","","","","","4","R -3 :H","-R 3","148","","NDUF-3","","- F31 H28 N7 U6 -","- F31.02 N7 U6 -","- F93.06 N21 U18 -","3","0.166667","","Christopher L. Cahill; Peter C. Burns","Building Unit and Topological Evolution in the Hydrothermal DABCO-U-F System","Inorganic Chemistry","2001","40","","1347","1351","10.1021/ic000998z","","","0.71073","MoKα","","0.0227","0.0185","","","0.0432","0.0442","","","","","","1.046","","","","has coordinates","176467","2020-10-21","18:00:00","" "4319382","8.382","0.002","12.621","0.003","11.767","0.002","90","","98.91","0.03","90","","1229.8","0.5","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C5 H14 Ca N2 O10 -","- C5 H14 Ca N2 O10 -","- C20 H56 Ca4 N8 O40 -","4","1","","Long Pan; Thomas Frydel; Michelle B. Sander; Xiaoying Huang; Jing Li","The Effect of pH on the Dimensionality of Coordination Polymers","Inorganic Chemistry","2001","40","","1271","1283","10.1021/ic001012o","","","0.71073","MoKα","","0.0957","0.0397","","","0.0759","0.0872","","","","","","1.067","","","","has coordinates","179273","2020-10-21","18:00:00","" "4319383","7.711","0.002","15.574","0.003","9.341","0.002","90","","96.73","0.03","90","","1114","0.4","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C5 H12 Ca N2 O9 -","- C5 H12 Ca N2 O9 -","- C20 H48 Ca4 N8 O36 -","4","1","","Long Pan; Thomas Frydel; Michelle B. Sander; Xiaoying Huang; Jing Li","The Effect of pH on the Dimensionality of Coordination Polymers","Inorganic Chemistry","2001","40","","1271","1283","10.1021/ic001012o","","","0.71073","MoKα","","0.0837","0.0631","","","0.1355","0.1439","","","","","","1.126","","","","has coordinates","179273","2020-10-21","18:00:00","" "4319384","6.616","0.001","12.654","0.003","8.782","0.002","90","","103.65","0.03","90","","714.5","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C5 H4 Ca N2 O5 -","- C5 H4 Ca N2 O5 -","- C20 H16 Ca4 N8 O20 -","4","1","","Long Pan; Thomas Frydel; Michelle B. Sander; Xiaoying Huang; Jing Li","The Effect of pH on the Dimensionality of Coordination Polymers","Inorganic Chemistry","2001","40","","1271","1283","10.1021/ic001012o","","","0.71073","MoKα","","0.1213","0.0575","","","0.103","0.12","","","","","","1.074","","","","has coordinates","179273","2020-10-21","18:00:00","" "4319385","11.263","0.002","11.46","0.002","12.904","0.003","71.54","0.03","68.34","0.03","89.93","0.03","1455.6","0.7","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H24 N8 O21 Sr -","- C20 H24 N8 O21 Sr -","- C40 H48 N16 O42 Sr2 -","2","1","","Long Pan; Thomas Frydel; Michelle B. Sander; Xiaoying Huang; Jing Li","The Effect of pH on the Dimensionality of Coordination Polymers","Inorganic Chemistry","2001","40","","1271","1283","10.1021/ic001012o","","","0.71073","MoKα","","0.0876","0.0407","","","0.0803","0.0886","","","","","","1.11","","","","has coordinates","179273","2020-10-21","18:00:00","" "4319386","9.213","0.002","12.088","0.002","6.196","0.001","90","","98.96","0.03","90","","681.6","0.2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C5 H4 N2 O5 Sr -","- C5 H4 N2 O5 Sr -","- C20 H16 N8 O20 Sr4 -","4","1","","Long Pan; Thomas Frydel; Michelle B. Sander; Xiaoying Huang; Jing Li","The Effect of pH on the Dimensionality of Coordination Polymers","Inorganic Chemistry","2001","40","","1271","1283","10.1021/ic001012o","","","0.71073","MoKα","","0.0546","0.0373","","","0.0809","0.0882","","","","","","1.028","","","","has coordinates","179273","2020-10-21","18:00:00","" "4319387","20.493","0.004","6.708","0.001","15.939","0.003","90","","123.56","0.03","90","","1825.8","0.8","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C10 H18 Ba N4 O14 -","- C10 H18 Ba N4 O14 -","- C40 H72 Ba4 N16 O56 -","4","0.5","","Long Pan; Thomas Frydel; Michelle B. Sander; Xiaoying Huang; Jing Li","The Effect of pH on the Dimensionality of Coordination Polymers","Inorganic Chemistry","2001","40","","1271","1283","10.1021/ic001012o","","","0.71073","MoKα","","0.0792","0.0559","","","0.0819","0.0864","","","","","","1.212","","","","has coordinates","179273","2020-10-21","18:00:00","" "4319388","7.107","0.001","9.78","0.002","11.431","0.002","74.69","0.03","73.39","0.03","85.29","0.03","734.3","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C10 H8 Ba2 N4 O10 -","- C10 H8 Ba2 N4 O10 -","- C20 H16 Ba4 N8 O20 -","2","1","","Long Pan; Thomas Frydel; Michelle B. Sander; Xiaoying Huang; Jing Li","The Effect of pH on the Dimensionality of Coordination Polymers","Inorganic Chemistry","2001","40","","1271","1283","10.1021/ic001012o","","","0.71073","MoKα","","0.0744","0.0422","","","0.0883","0.0943","","","","","","1.242","","","","has coordinates","179273","2020-10-21","18:00:00","" "4319389","7.2048","0.0001","20.5388","0.0001","19.1072","0.0002","90","","93.83","0.001","90","","2821.13","0.05","193","2","193","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C24 H34 N2 O4 Pt S2 -","- C24 H30 N2 O4 Pt S2 -","- C96 H120 N8 O16 Pt4 S8 -","4","1","","Sonia Huertas; Muriel Hissler; James E. McGarrah; Rene J. Lachicotte; Richard Eisenberg","Syntheses and Structural Characterization of Luminescent Platinum(II) Complexes Containing Di-tert-butylbipyridine and New 1,1-Dithiolate Ligands","Inorganic Chemistry","2001","40","","1183","1188","10.1021/ic001018d","","","0.71073","MoKα","","0.0428","0.0334","","0.103","0.0988","","","","1.112","1.159","1.159","","","","","has coordinates","201982","2020-10-21","18:00:00","" "4319390","15.094","0.0005","9.5182","0.0003","20.4772","0.0007","90","","111.151","0.001","90","","2743.72","0.16","193","2","193","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C27 H28 Br N3 Pt S2 -","- C27 H28 Br N3 Pt S2 -","- C108 H112 Br4 N12 Pt4 S8 -","4","1","","Sonia Huertas; Muriel Hissler; James E. McGarrah; Rene J. Lachicotte; Richard Eisenberg","Syntheses and Structural Characterization of Luminescent Platinum(II) Complexes Containing Di-tert-butylbipyridine and New 1,1-Dithiolate Ligands","Inorganic Chemistry","2001","40","","1183","1188","10.1021/ic001018d","","","0.71073","MoKα","","0.0668","0.0407","","0.0939","0.0864","","","","1.043","1.111","1.111","","","","","has coordinates","201982","2020-10-21","18:00:00","" "4319391","34.66","0.029","9.342","0.008","18.693","0.015","90","","122.22","0.02","90","","5121","7","298","2","298","","","","","","","","crystallized from methylene chloride/ethanol","5","C 1 2/c 1","-C 2yc","15","","[Ph~3~P=N=PPh~3~]^+^ {[closo-B~12~(CH~3~)~12~]^.^}^-^","","- C48 H66 B12 N P2 -","- C48 H66 B12 N P2 -","- C192 H264 B48 N4 P8 -","4","0.5","","Peymann, Toralf; Knobler, Carolyn B.; Khan, Saeed I.; Hawthorne, M. Frederick","Dodecamethyl-closo-dodecaborate(2-)","Inorganic Chemistry","2001","40","6","1291","1294","10.1021/ic0010398","","","","","","0.1461","0.0663","","0.2096","0.1668","","","","1.035","1.183","1.183","","","","","has coordinates","210309","2020-10-21","18:00:00","" "4319392","9.715","0.007","15.052","0.01","22.819","0.015","90","","90","","90","","3337","4","298","","298","2","","","","","","","","4","P c 21 n","P -2n -2ac","33","dipyridiniomethane dodecamethyl-closo-decaborate(2-) acetonitrile","","","- C25 H51 B12 N3 -","- C25 H48 B12 N3 -","- C100 H192 B48 N12 -","4","1","","Peymann, Toralf; Knobler, Carolyn B.; Khan, Saeed I.; Hawthorne, M. Frederick","Dodecamethyl-closo-dodecaborate(2-)","Inorganic Chemistry","2001","40","6","1291","1294","10.1021/ic0010398","","","1.5418","CuKα","","0.1351","0.0735","","0.2316","0.1846","","","","1.042","1.128","1.128","","","","","has coordinates","210309","2020-10-21","18:00:00","" "4319393","12.771","0.003","12.242","0.003","19.454","0.005","90","","108.215","0.005","90","","2889.1","1.2","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","bis tetraphenylarsonium dodecamethyldodecaborane","bis tetraphenylarsonium dodecamethyldodecaborane","","- C60 H76 As2 B12 -","- C60 H76 As2 B12 -","- C120 H152 As4 B24 -","2","0.5","","Peymann, Toralf; Knobler, Carolyn B.; Khan, Saeed I.; Hawthorne, M. Frederick","Dodecamethyl-closo-dodecaborate(2-)","Inorganic Chemistry","2001","40","6","1291","1294","10.1021/ic0010398","","","0.71073","MoKα","","0.0527","0.0306","","","0.0765","0.0849","","","","","","0.857","","","","has coordinates","210309","2020-10-21","18:00:00","" "4319394","12.001","0.002","14.964","0.003","15.128","0.003","90","","102.5","0.03","90","","2652.3","0.9","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C38 H42 F6 Mo6 O6 S13 -","- C37.634 H40.896 F6 Mo6 O5.95 S13.002 -","- C75.268 H81.792 F12 Mo12 O11.9 S26.004 -","2","1","","L. D. Vasquez; B. C. Noll; M. Rakowski DuBois","Synthesis and Characterization of a Tetranuclear Cyclopentadienyl Molybdenum Compound with a μ4-Sulfido Ligand","Inorganic Chemistry","2001","40","","1391","1393","10.1021/ic001043j","","","0.71073","MoKα","","0.0625","0.0529","","","0.1261","0.1325","","","","","","1.011","","","","has coordinates,has disorder","179273","2020-10-21","18:00:00","" "4319395","11.459","0.002","12.787","0.003","15.062","0.003","84.19","0.03","82.14","0.03","71.92","0.03","2074.2","0.8","150","2","150","2","","","","","","","","6","P -1","-P 1","2","Bis Tp* samarium diethyldithiocarbamate","","","- C35 H54 B2 N13 S2 Sm -","- C35 H54 B2 N13 S2 Sm -","- C70 H108 B4 N26 S4 Sm2 -","2","1","","Irene Lopes; Anna C. Hillier; Sung Ying Liu; Ângela Domingos; José Ascenso; Adelino Galvão; Andrea Sella; Noémia Marques","Solid-State Structure and Solution Behavior of Eight-Coordinate Sm(III) Poly(pyrazolyl)borate Compounds","Inorganic Chemistry","2001","40","","1116","1125","10.1021/ic001056x","","","0.71073","MoKα","","0.0514","0.0451","","0.1381","0.1181","","","","1.014","1.074","1.074","","","","","has coordinates","179273","2020-10-21","18:00:00","" "4319396","10.835","0.003","15.026","0.004","16.873","0.004","82.65","0.02","89.32","0.02","86.61","0.02","2719.7","1.2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","Bis Tp* samarium pyridine tiolate","","","- C53 H66 B2 N13 S Sm -","- C53 H48 B2 N13 S Sm -","- C106 H96 B4 N26 S2 Sm2 -","2","1","","Irene Lopes; Anna C. Hillier; Sung Ying Liu; Ângela Domingos; José Ascenso; Adelino Galvão; Andrea Sella; Noémia Marques","Solid-State Structure and Solution Behavior of Eight-Coordinate Sm(III) Poly(pyrazolyl)borate Compounds","Inorganic Chemistry","2001","40","","1116","1125","10.1021/ic001056x","","","0.71073","MoKα","","0.1809","0.095","","0.2372","0.1711","","","","1.111","1.187","1.187","","","","","has coordinates","179273","2020-10-21","18:00:00","" "4319397","10.881","0.004","10.927","0.003","19.737","0.004","76.63","0.01","75.98","0.01","59.97","0.01","1954.2","1","293","2","293","2","","","","","","","","6","P -1","-P 1","2","Bis Tp* samarium pyridinolate","","","- C35 H48 B2 N13 O Sm -","- C35 H48 B2 N13 O Sm -","- C70 H96 B4 N26 O2 Sm2 -","2","1","","Irene Lopes; Anna C. Hillier; Sung Ying Liu; Ângela Domingos; José Ascenso; Adelino Galvão; Andrea Sella; Noémia Marques","Solid-State Structure and Solution Behavior of Eight-Coordinate Sm(III) Poly(pyrazolyl)borate Compounds","Inorganic Chemistry","2001","40","","1116","1125","10.1021/ic001056x","","","0.71073","MoKα","","0.0481","0.035","","0.0821","0.0728","","","","1.105","1.073","1.073","","","","","has coordinates","179273","2020-10-21","18:00:00","" "4319398","15.8872","0.0007","15.7455","0.0007","16.9897","0.0007","90","","98.725","0.001","90","","4200.8","0.3","213","2","213","2","","","","","","","synthesis","6","P 1 21/c 1","-P 2ybc","14","","","","- C43.55 H40.8 Cl2.3 Co3 N12 O0.85 -","- C43.55 H40.8 Cl2.3 Co3 N12 O0.85 -","- C174.2 H163.2 Cl9.2 Co12 N48 O3.4 -","4","1","","Rodolphe Clérac; F. Albert Cotton; Lee M. Daniels; Kim R. Dunbar; Carlos A. Murillo; Xiaoping Wang","Tuning the Metal-Metal Bonds in the Linear Tricobalt Compound Co3(dpa)4Cl2: Bond-Stretch and Spin-State Isomers","Inorganic Chemistry","2001","40","","1256","1264","10.1021/ic001068i","","","0.71073","MoKα","","0.0372","0.0273","","0.0703","0.0655","","","","1.025","1.059","1.059","","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00","" "4319399","15.804","0.001","15.684","0.001","16.929","0.001","90","","98.933","0.001","90","","4145.3","0.4","120","2","120","2","","","","","","","synthesis","6","P 1 21/c 1","-P 2ybc","14","","","","- C43.55 H40.8 Cl2.3 Co3 N12 O0.85 -","- C43.55 H40.8 Cl2.3 Co3 N12 O0.85 -","- C174.2 H163.2 Cl9.2 Co12 N48 O3.4 -","4","1","","Rodolphe Clérac; F. Albert Cotton; Lee M. Daniels; Kim R. Dunbar; Carlos A. Murillo; Xiaoping Wang","Tuning the Metal-Metal Bonds in the Linear Tricobalt Compound Co3(dpa)4Cl2: Bond-Stretch and Spin-State Isomers","Inorganic Chemistry","2001","40","","1256","1264","10.1021/ic001068i","","","0.71073","MoKα","","0.0322","0.0267","","0.0675","0.0647","","","","1.04","1.067","1.067","","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00","" "4319400","15.9573","0.0008","15.8174","0.0008","17.0569","0.0009","90","","98.303","0.001","90","","4260.1","0.4","296","2","296","2","","","","","","","synthesis","6","P 1 21/c 1","-P 2ybc","14","","","","- C43.55 H40.8 Cl2.3 Co3 N12 O0.85 -","- C43.55 H40.8 Cl2.3 Co3 N12 O0.85 -","- C174.2 H163.2 Cl9.2 Co12 N48 O3.4 -","4","1","","Rodolphe Clérac; F. Albert Cotton; Lee M. Daniels; Kim R. Dunbar; Carlos A. Murillo; Xiaoping Wang","Tuning the Metal-Metal Bonds in the Linear Tricobalt Compound Co3(dpa)4Cl2: Bond-Stretch and Spin-State Isomers","Inorganic Chemistry","2001","40","","1256","1264","10.1021/ic001068i","","","0.71073","MoKα","","0.0411","0.0299","","0.079","0.0696","","","","1.088","1.069","1.069","","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00","" "4319401","12.7906","0.0006","14.1355","0.0009","23.606","0.001","90","","90","","90","","4268","0.4","213","2","213","2","","","","","","","synthesis","6","P c c n","-P 2ab 2ac","56","","","","- C42 H36 Cl2 Co3 N12 O -","- C42.02 H32 Cl2 Co3 N12 O -","- C168.08 H128 Cl8 Co12 N48 O4 -","4","0.5","","Rodolphe Clérac; F. Albert Cotton; Lee M. Daniels; Kim R. Dunbar; Carlos A. Murillo; Xiaoping Wang","Tuning the Metal-Metal Bonds in the Linear Tricobalt Compound Co3(dpa)4Cl2: Bond-Stretch and Spin-State Isomers","Inorganic Chemistry","2001","40","","1256","1264","10.1021/ic001068i","","","0.71073","MoKα","","0.0475","0.0418","","0.1278","0.1212","","","","1.167","1.181","1.181","","","","","has coordinates,has disorder","179274","2020-10-21","18:00:00","" "4319402","12.7212","0.0008","14.1167","0.0009","23.498","0.002","90","","90","","90","","4219.8","0.5","120","2","120","2","","","","","","","synthesis","6","P c c n","-P 2ab 2ac","56","","","","- C44 H40 Cl2 Co3 N12 O -","- C44 H32 Cl2 Co3 N12 O -","- C176 H128 Cl8 Co12 N48 O4 -","4","0.5","","Rodolphe Clérac; F. Albert Cotton; Lee M. Daniels; Kim R. Dunbar; Carlos A. Murillo; Xiaoping Wang","Tuning the Metal-Metal Bonds in the Linear Tricobalt Compound Co3(dpa)4Cl2: Bond-Stretch and Spin-State Isomers","Inorganic Chemistry","2001","40","","1256","1264","10.1021/ic001068i","","","0.71073","MoKα","","0.06","0.038","","0.1064","0.0981","","","","1.007","1.104","1.104","","","","","has coordinates,has disorder","179274","2020-10-21","18:00:00","" "4319403","12.8698","0.0006","14.1466","0.0006","23.812","0.001","90","","90","","90","","4335.3","0.3","295","2","295","2","","","","","","","synthesis","6","P c c n","-P 2ab 2ac","56","","","","- C44 H40 Cl2 Co3 N12 O -","- C44 H32 Cl2 Co3 N12 O -","- C176 H128 Cl8 Co12 N48 O4 -","4","0.5","","Rodolphe Clérac; F. Albert Cotton; Lee M. Daniels; Kim R. Dunbar; Carlos A. Murillo; Xiaoping Wang","Tuning the Metal-Metal Bonds in the Linear Tricobalt Compound Co3(dpa)4Cl2: Bond-Stretch and Spin-State Isomers","Inorganic Chemistry","2001","40","","1256","1264","10.1021/ic001068i","","","0.71073","MoKα","","0.0621","0.0381","","0.1097","0.0975","","","","1.049","1.122","1.122","","","","","has coordinates,has disorder","179274","2020-10-21","18:00:00","" "4319404","18.538","0.002","29.14","0.01","16.005","0.003","90","","90","","90","","8646","4","213","2","213","2","","","","","","","synthesis","5","P n a 21","P 2c -2n","33","","","","- C46 H38 Cl2 Co3 N12 -","- C46 H38 Cl2 Co3 N12 -","- C368 H304 Cl16 Co24 N96 -","8","2","","Rodolphe Clérac; F. Albert Cotton; Lee M. Daniels; Kim R. Dunbar; Carlos A. Murillo; Xiaoping Wang","Tuning the Metal-Metal Bonds in the Linear Tricobalt Compound Co3(dpa)4Cl2: Bond-Stretch and Spin-State Isomers","Inorganic Chemistry","2001","40","","1256","1264","10.1021/ic001068i","","","0.71073","MoKα","","0.0683","0.0553","","0.1553","0.1318","","","","1.118","1.055","1.055","","","","","has coordinates","179274","2020-10-21","18:00:00","" "4319405","18.546","0.0007","14.5527","0.0008","16.2431","0.0006","90","","90","","90","","4383.9","0.3","316","2","316","2","","","","","","","synthesis","5","P c a 21","P 2c -2ac","29","","","","- C46 H38 Cl2 Co3 N12 -","- C46 H38 Cl2 Co3 N12 -","- C184 H152 Cl8 Co12 N48 -","4","1","","Rodolphe Clérac; F. Albert Cotton; Lee M. Daniels; Kim R. Dunbar; Carlos A. Murillo; Xiaoping Wang","Tuning the Metal-Metal Bonds in the Linear Tricobalt Compound Co3(dpa)4Cl2: Bond-Stretch and Spin-State Isomers","Inorganic Chemistry","2001","40","","1256","1264","10.1021/ic001068i","","","0.71073","MoKα","","0.0527","0.0448","","0.112","0.1041","","","","1.039","1.03","1.03","","","","","has coordinates","179274","2020-10-21","18:00:00","" "4319406","18.521","0.002","29.046","0.003","16.068","0.001","90","","90","","90","","8644","1.4","260","2","260","2","","","","","","","synthesis","5","P n a 21","P 2c -2n","33","","","","- C46 H38 Cl2 Co3 N12 -","- C46 H38 Cl2 Co3 N12 -","- C368 H304 Cl16 Co24 N96 -","8","2","","Rodolphe Clérac; F. Albert Cotton; Lee M. Daniels; Kim R. Dunbar; Carlos A. Murillo; Xiaoping Wang","Tuning the Metal-Metal Bonds in the Linear Tricobalt Compound Co3(dpa)4Cl2: Bond-Stretch and Spin-State Isomers","Inorganic Chemistry","2001","40","","1256","1264","10.1021/ic001068i","","","0.71073","MoKα","","0.0744","0.0631","","0.1766","0.1595","","","","1.074","1.048","1.048","","","","","has coordinates","179274","2020-10-21","18:00:00","" "4319407","18.4767","0.0007","29.031","0.002","15.9276","0.0005","90","","90","","90","","8543.5","0.7","170","2","170","2","","","","","","","synthesis","5","P n a 21","P 2c -2n","33","","","","- C46 H38 Cl2 Co3 N12 -","- C46 H38 Cl2 Co3 N12 -","- C368 H304 Cl16 Co24 N96 -","8","2","","Rodolphe Clérac; F. Albert Cotton; Lee M. Daniels; Kim R. Dunbar; Carlos A. Murillo; Xiaoping Wang","Tuning the Metal-Metal Bonds in the Linear Tricobalt Compound Co3(dpa)4Cl2: Bond-Stretch and Spin-State Isomers","Inorganic Chemistry","2001","40","","1256","1264","10.1021/ic001068i","","","0.71073","MoKα","","0.0425","0.0383","","0.1039","0.098","","","","1.043","1.02","1.02","","","","","has coordinates","179274","2020-10-21","18:00:00","" "4319408","16.738","0.001","17.851","0.001","19.134","0.001","80.729","0.001","81.71","0.001","63.384","0.001","5027.6","0.5","90","2","90","2","","","","","","","synthesis","5","P -1","-P 1","2","","","","- C55.25 H53 Cl2 Co3 N12 -","- C55.25 H32 Cl2 Co3 N12 -","- C221 H128 Cl8 Co12 N48 -","4","2","","Rodolphe Clérac; F. Albert Cotton; Lee M. Daniels; Kim R. Dunbar; Carlos A. Murillo; Xiaoping Wang","Tuning the Metal-Metal Bonds in the Linear Tricobalt Compound Co3(dpa)4Cl2: Bond-Stretch and Spin-State Isomers","Inorganic Chemistry","2001","40","","1256","1264","10.1021/ic001068i","","","0.71073","MoKα","","0.0782","0.0451","","0.1322","0.1194","","","","1.013","1.154","1.154","","","","","has coordinates,has disorder","179274","2020-10-21","18:00:00","" "4319409","16.774","0.002","17.913","0.002","19.195","0.002","80.925","0.002","81.633","0.002","63.389","0.002","5073.7","1","110","2","110","2","","","","","","","synthesis","5","P -1","-P 1","2","","","","- C55.25 H53 Cl2 Co3 N12 -","- C55.25 H32 Cl2 Co3 N12 -","- C221 H128 Cl8 Co12 N48 -","4","2","","Rodolphe Clérac; F. Albert Cotton; Lee M. Daniels; Kim R. Dunbar; Carlos A. Murillo; Xiaoping Wang","Tuning the Metal-Metal Bonds in the Linear Tricobalt Compound Co3(dpa)4Cl2: Bond-Stretch and Spin-State Isomers","Inorganic Chemistry","2001","40","","1256","1264","10.1021/ic001068i","","","0.71073","MoKα","","0.0718","0.0474","","0.1359","0.1193","","","","1.015","1.058","1.058","","","","","has coordinates,has disorder","179274","2020-10-21","18:00:00","" "4319410","16.849","0.001","17.959","0.001","19.176","0.001","80.424","0.001","81.25","0.001","63.33","0.001","5093.1","0.5","170","2","170","2","","","","","","","","5","P -1","-P 1","2","","","","- C55.25 H53 Cl2 Co3 N12 -","- C55.25 H32 Cl2 Co3 N12 -","- C221 H128 Cl8 Co12 N48 -","4","2","","Rodolphe Clérac; F. Albert Cotton; Lee M. Daniels; Kim R. Dunbar; Carlos A. Murillo; Xiaoping Wang","Tuning the Metal-Metal Bonds in the Linear Tricobalt Compound Co3(dpa)4Cl2: Bond-Stretch and Spin-State Isomers","Inorganic Chemistry","2001","40","","1256","1264","10.1021/ic001068i","","","0.71073","MoKα","","0.074","0.0476","","0.1437","0.1277","","","","1.059","1.143","1.143","","","","","has coordinates,has disorder","179274","2020-10-21","18:00:00","" "4319411","17.056","0.001","18.25","0.001","19.297","0.002","80.266","0.001","80.797","0.001","63.217","0.001","5261","0.7","298","2","298","2","","","","","","","synthesis","5","P -1","-P 1","2","","","","- C55.25 H53 Cl2 Co3 N12 -","- C52 H32 Cl2 Co3 N12 -","- C208 H128 Cl8 Co12 N48 -","4","2","","Rodolphe Clérac; F. Albert Cotton; Lee M. Daniels; Kim R. Dunbar; Carlos A. Murillo; Xiaoping Wang","Tuning the Metal-Metal Bonds in the Linear Tricobalt Compound Co3(dpa)4Cl2: Bond-Stretch and Spin-State Isomers","Inorganic Chemistry","2001","40","","1256","1264","10.1021/ic001068i","","","0.71073","MoKα","","0.1066","0.0602","","0.1974","0.1745","","","","1.154","1.425","1.425","","","","","has coordinates,has disorder","179274","2020-10-21","18:00:00","" "4319412","12.9685","0.0008","14.2468","0.0009","23.7039","0.0014","90","","90","","90","","4379.5","0.5","213","2","213","2","","","","","","","synthesis","5","P c c n","-P 2ab 2ac","56","","","","- C46 H44 Cl2 Co3 N12 -","- C46 H32 Cl2 Co3 N12 -","- C184 H128 Cl8 Co12 N48 -","4","0.5","","Rodolphe Clérac; F. Albert Cotton; Lee M. Daniels; Kim R. Dunbar; Carlos A. Murillo; Xiaoping Wang","Tuning the Metal-Metal Bonds in the Linear Tricobalt Compound Co3(dpa)4Cl2: Bond-Stretch and Spin-State Isomers","Inorganic Chemistry","2001","40","","1256","1264","10.1021/ic001068i","","","0.71073","MoKα","","0.062","0.0545","","0.1536","0.1493","","","","1.206","1.273","1.273","","","","","has coordinates","179274","2020-10-21","18:00:00","" "4319413","14.309","0.002","12.805","0.002","23.56","0.003","90","","90.046","0.002","90","","4316.8","1.1","120","2","120","2","","","","","","","synthesis","5","P 1 21/c 1","-P 2ybc","14","","","","- C46 H44 Cl2 Co3 N12 -","- C46 H44 Cl2 Co3 N12 -","- C184 H176 Cl8 Co12 N48 -","4","1","","Rodolphe Clérac; F. Albert Cotton; Lee M. Daniels; Kim R. Dunbar; Carlos A. Murillo; Xiaoping Wang","Tuning the Metal-Metal Bonds in the Linear Tricobalt Compound Co3(dpa)4Cl2: Bond-Stretch and Spin-State Isomers","Inorganic Chemistry","2001","40","","1256","1264","10.1021/ic001068i","","","0.71073","MoKα","","0.0347","0.027","","0.0647","0.0616","","","","1.02","1.034","1.034","","","","","has coordinates","179274","2020-10-21","18:00:00","" "4319414","13.092","0.001","14.269","0.002","23.928","0.002","90","","90","","90","","4470","0.8","296","2","296","2","","","","","","","synthesis","5","P c c n","-P 2ab 2ac","56","","","","- C46 H44 Cl2 Co3 N12 -","- C46 H32 Cl2 Co3 N12 -","- C184 H128 Cl8 Co12 N48 -","4","0.5","","Rodolphe Clérac; F. Albert Cotton; Lee M. Daniels; Kim R. Dunbar; Carlos A. Murillo; Xiaoping Wang","Tuning the Metal-Metal Bonds in the Linear Tricobalt Compound Co3(dpa)4Cl2: Bond-Stretch and Spin-State Isomers","Inorganic Chemistry","2001","40","","1256","1264","10.1021/ic001068i","","","0.71073","MoKα","","0.0494","0.0389","","0.1314","0.1163","","","","1.112","1.094","1.094","","","","","has coordinates","179274","2020-10-21","18:00:00","" "4319415","14.1627","0.0007","24.299","0.001","30.991","0.002","90","","90","","90","","10665.2","1","213","2","213","2","","","","","","","synthesis","5","F d d 2","F 2 -2d","43","","","","- C56 H48 Co3 N14 S2 -","- C54 H32 Co3 N14 S2 -","- C432 H256 Co24 N112 S16 -","8","0.5","","Rodolphe Clérac; F. Albert Cotton; Stephen P. Jeffery; Carlos A. Murillo; Xiaoping Wang","Compounds with Symmetrical Tricobalt Chains Wrapped by Dipyridylamide Ligands and Cyanide or Isothiocyanate Ions as Terminal Ligands","Inorganic Chemistry","2001","40","","1265","1270","10.1021/ic001069a","","","0.71073","MoKα","","0.0817","0.0554","","0.1445","0.1299","","","","1.14","1.16","1.16","","","","","has coordinates,has disorder","179274","2020-10-21","18:00:00","" "4319416","12.161","0.001","13.894","0.002","19.905","0.002","71.8","0.002","81.725","0.002","77.28","0.002","3106.3","0.6","213","2","213","2","","","","","","","synthesis","6","P -1","-P 1","2","","","","- C62 H72 Co3 N14 O5 S2 -","- C62 H64 Co3 N14 O5 S2 -","- C124 H128 Co6 N28 O10 S4 -","2","1","","Rodolphe Clérac; F. Albert Cotton; Stephen P. Jeffery; Carlos A. Murillo; Xiaoping Wang","Compounds with Symmetrical Tricobalt Chains Wrapped by Dipyridylamide Ligands and Cyanide or Isothiocyanate Ions as Terminal Ligands","Inorganic Chemistry","2001","40","","1265","1270","10.1021/ic001069a","","","0.71073","MoKα","","0.1213","0.082","","0.201","0.1856","","","","1.184","1.349","1.349","","","","","has coordinates,has disorder","179274","2020-10-21","18:00:00","" "4319417","16.92","0.001","17.621","0.001","16.2104","0.0009","90","","106.782","0.005","90","","4627.2","0.5","213","2","213","2","","","","","","","synthesis","6","P 1 21/c 1","-P 2ybc","14","","","","- C43.5 H35 Cl3 Co3 N14 S2 -","- C43.5 H32 Cl3 Co3 N14 S2 -","- C174 H128 Cl12 Co12 N56 S8 -","4","1","","Rodolphe Clérac; F. Albert Cotton; Stephen P. Jeffery; Carlos A. Murillo; Xiaoping Wang","Compounds with Symmetrical Tricobalt Chains Wrapped by Dipyridylamide Ligands and Cyanide or Isothiocyanate Ions as Terminal Ligands","Inorganic Chemistry","2001","40","","1265","1270","10.1021/ic001069a","","","0.71073","MoKα","","0.0548","0.0453","","0.1163","0.1075","","","","1.107","1.109","1.109","","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00","" "4319418","12.999","0.0006","13.972","0.0007","11.227","0.0006","90","","90","","90","","2039.07","0.18","213","2","213","2","","","","","","","synthesis","5","P n n 2","P 2 -2n","34","","","","- C43 H34 Cl2 Co3 N14 -","- C43 H32 Cl2 Co3 N14 -","- C86 H64 Cl4 Co6 N28 -","2","0.5","","Rodolphe Clérac; F. Albert Cotton; Stephen P. Jeffery; Carlos A. Murillo; Xiaoping Wang","Compounds with Symmetrical Tricobalt Chains Wrapped by Dipyridylamide Ligands and Cyanide or Isothiocyanate Ions as Terminal Ligands","Inorganic Chemistry","2001","40","","1265","1270","10.1021/ic001069a","","","0.71073","MoKα","","0.0299","0.0272","","0.0687","0.0669","","","","1.068","1.073","1.073","","","","","has coordinates","179274","2020-10-21","18:00:00","" "4319419","18.582","0.005","13.632","0.002","19.622","0.002","90","","105.08","0.01","90","","4799.3","1.6","213","2","213","2","","","","","","","synthesis","5","P 1 21/c 1","-P 2ybc","14","","","","- C46 H36 Cl4 Co3 N18 -","- C46 H36 Cl4 Co3 N18 -","- C184 H144 Cl16 Co12 N72 -","4","1","","Rodolphe Clérac; F. Albert Cotton; Stephen P. Jeffery; Carlos A. Murillo; Xiaoping Wang","Compounds with Symmetrical Tricobalt Chains Wrapped by Dipyridylamide Ligands and Cyanide or Isothiocyanate Ions as Terminal Ligands","Inorganic Chemistry","2001","40","","1265","1270","10.1021/ic001069a","","","0.71073","MoKα","","0.0626","0.0522","","0.1408","0.1282","","","","1.081","1.087","1.087","","","","","has coordinates","179274","2020-10-21","18:00:00","" "4319420","6.7658","0.0007","7.1468","0.0008","8.24","0.0009","66.586","0.002","83.475","0.002","84.455","0.002","362.68","0.07","193","2","193","2","","","","","","","","4","P -1","-P 1","2","","","","- C4 H4 B2 N20 -","- C4 H4 B2 N20 -","- C4 H4 B2 N20 -","1","0.5","","Wolfgang Fraenk; Tassilo Habereder; Anton Hammerl; Thomas M. Klapötke; Burkhard Krumm; Peter Mayer; Heinrich Nöth; Marcus Warchhold","Highly Energetic Tetraazidoborate Anion and Boron Triazide Adducts","Inorganic Chemistry","2001","40","","1334","1340","10.1021/ic001119b","","","0.71073","MoKα","","0.0439","0.0391","","","0.1092","0.1131","","","","","","1.062","","","","has coordinates","211332","2020-10-21","18:00:00","" "4319421","7.7179","0.0003","14.875","0.0008","29.5527","0.0015","90","","95.438","0.006","90","","3377.5","0.3","200","3","200","3","","","","","","","provided by W. Fraenk","4","P 1 21/n 1","-P 2yn","14","BN3","","","- C18 H40 B2 N26 -","- C18 H40 B2 N26 -","- C72 H160 B8 N104 -","4","1","","Wolfgang Fraenk; Tassilo Habereder; Anton Hammerl; Thomas M. Klapötke; Burkhard Krumm; Peter Mayer; Heinrich Nöth; Marcus Warchhold","Highly Energetic Tetraazidoborate Anion and Boron Triazide Adducts","Inorganic Chemistry","2001","40","","1334","1340","10.1021/ic001119b","","","0.71073","MoKα","","0.1366","0.0684","","","0.169","0.1968","","","","","","0.867","","","","has coordinates,has disorder","179274","2020-10-21","18:00:00","" "4319422","7.2035","0.0007","8.2093","0.0008","11.642","0.0011","104.729","0.002","96.014","0.002","112.423","0.001","599.62","0.1","193","2","193","2","","","","","","","","4","P -1","-P 1","2","","","","- C9 H7 B N10 -","- C9 H7 B N10 -","- C18 H14 B2 N20 -","2","1","","Wolfgang Fraenk; Tassilo Habereder; Anton Hammerl; Thomas M. Klapötke; Burkhard Krumm; Peter Mayer; Heinrich Nöth; Marcus Warchhold","Highly Energetic Tetraazidoborate Anion and Boron Triazide Adducts","Inorganic Chemistry","2001","40","","1334","1340","10.1021/ic001119b","","","0.71073","MoKα","","0.052","0.04","","","0.1085","0.1176","","","","","","1.054","","","","has coordinates","211332","2020-10-21","18:00:00","" "4319423","9.5806","0.0013","11.3247","0.0014","9.9447","0.001","90","","90","","90","","1079","0.2","200","3","200","3","","","","","","","provided by W. Fraenck","3","C m c 21","C 2c -2","36","pip_az","tetramethylpiperidinium azide","","- C4.5 H10 N2 -","- C4.5 H10 N2 -","- C36 H80 N16 -","8","1","","Wolfgang Fraenk; Tassilo Habereder; Anton Hammerl; Thomas M. Klapötke; Burkhard Krumm; Peter Mayer; Heinrich Nöth; Marcus Warchhold","Highly Energetic Tetraazidoborate Anion and Boron Triazide Adducts","Inorganic Chemistry","2001","40","","1334","1340","10.1021/ic001119b","","","0.71073","MoKα","","0.0446","0.0295","","","0.0585","0.0622","","","","","","0.954","","","","has coordinates","176467","2020-10-21","18:00:00","" "4319424","10.34","0.0001","19.5016","0.0002","35.7684","0.0005","90","","90","","90","","7212.57","0.14","150","2","150","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C53 H41 Co N2 O12 S32 -","- C53 H40 Co N O13 S32 -","- C212 H160 Co4 N4 O52 S128 -","4","0.5","","Lee Martin; Scott S. Turner; Peter Day; Philippe Guionneau; Judith A. K. Howard; Dai E. Hibbs; Mark E. Light; Michael B. Hursthouse; Mikio Uruichi; Kyuyo Yakushi","Crystal Chemistry and Physical Properties of Superconducting and Semiconducting Charge Transfer Salts of the Type (BEDT-TTF)4[AIMIII(C2O4)3].PhCN (AI= H3O, NH4, K; MIII= Cr, Fe, Co, Al; BEDT-TTF = Bis(ethylenedithio)tetrathiafulvalene)","Inorganic Chemistry","2001","40","","1363","1371","10.1021/ic001193u","","","0.71073","MoKα","","0.0863","0.0742","","","0.1971","0.2046","","","","","","0.936","","","","has coordinates","176467","2020-10-21","18:00:00","" "4319425","10.318","0.007","19.46","0.004","35.808","0.008","90","","90","","90","","7190","5","150","2","423","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C53 H41 Al N2 O12 S32 -","- C53 H36 Al N2 O12 S32 -","- C212 H144 Al4 N8 O48 S128 -","4","0.5","","Lee Martin; Scott S. Turner; Peter Day; Philippe Guionneau; Judith A. K. Howard; Dai E. Hibbs; Mark E. Light; Michael B. Hursthouse; Mikio Uruichi; Kyuyo Yakushi","Crystal Chemistry and Physical Properties of Superconducting and Semiconducting Charge Transfer Salts of the Type (BEDT-TTF)4[AIMIII(C2O4)3].PhCN (AI= H3O, NH4, K; MIII= Cr, Fe, Co, Al; BEDT-TTF = Bis(ethylenedithio)tetrathiafulvalene)","Inorganic Chemistry","2001","40","","1363","1371","10.1021/ic001193u","","","0.71069","MoKα","","0.1421","0.0437","","0.1058","0.0887","","","","0.673","0.946","0.946","","","","","has coordinates","176467","2020-10-21","18:00:00","" "4319426","11.1547","0.0005","13.4149","0.0006","15.9633","0.0007","90","","90.816","0.001","90","","2388.49","0.18","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C20 H32 Cu4 Mo8 N8 O44 -","- C20 H32 Cu4 Mo8 N8 O44 -","- C40 H64 Cu8 Mo16 N16 O88 -","2","0.5","","Li-Min Zheng; Yongsheng Wang; Xiqu Wang; James D. Korp; Allan J. Jacobson","Anion-Directed Crystallization of Coordination Polymers: Syntheses and Characterization of Cu4(2-pzc)4(H2O)8(Mo8O26).2H2O and Cu3(2-pzc)4(H2O)2(V10O28H4).6.5H2O (2-pzc = 2-Pyrazinecarboxylate)","Inorganic Chemistry","2001","40","","1380","1385","10.1021/ic0011967","","","0.71073","MoKα","","0.0301","0.0218","","0.0534","0.0512","","","","0.996","1.061","1.061","","","","","has coordinates","179274","2020-10-21","18:00:00","" "4319427","10.5896","0.001","10.7921","0.001","13.5168","0.0013","104.689","0.002","99.103","0.002","113.419","0.002","1311.5","0.2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C20 H33 Cu3 N8 O44.5 V10 -","- C20 H18 Cu3 N8 O46.5 V10 -","- C20 H18 Cu3 N8 O46.5 V10 -","1","0.5","","Li-Min Zheng; Yongsheng Wang; Xiqu Wang; James D. Korp; Allan J. Jacobson","Anion-Directed Crystallization of Coordination Polymers: Syntheses and Characterization of Cu4(2-pzc)4(H2O)8(Mo8O26).2H2O and Cu3(2-pzc)4(H2O)2(V10O28H4).6.5H2O (2-pzc = 2-Pyrazinecarboxylate)","Inorganic Chemistry","2001","40","","1380","1385","10.1021/ic0011967","","","0.71073","MoKα","","0.0449","0.037","","0.1106","0.1057","","","","1.048","1.1","1.1","","","","","has coordinates","176467","2020-10-21","18:00:00","" "4319428","12.48","0.002","13.09","0.003","14.147","0.003","79.792","0.003","68.027","0.003","64.447","0.003","1933.2","0.7","203","2","203","2","","","","","","","","7","P -1","-P 1","2","","","","- C76 H72 F12 N18 O2 P2 Ru2 -","- C76 H72 F12 N18 O2 P2 Ru2 -","- C76 H72 F12 N18 O2 P2 Ru2 -","1","0.5","","Peter J. Mosher; Glenn P. A. Yap; Robert J. Crutchley","A Donor-Acceptor-Donor Bridging Ligand in a Class III Mixed-Valence Complex","Inorganic Chemistry","2001","40","","1189","1195","10.1021/ic001268u","","","0.71073","MoKα","","0.0717","0.0421","","","0.0682","0.0719","","","","","","1.044","","","","has coordinates","179274","2020-10-21","18:00:00","" "4319429","8.9252","0.0015","8.9686","0.0015","11.2062","0.0019","90","","90","","90","","897","0.3","153","2","153","2","","","","","","","","3","F d d d :2","-F 2uv 2vw","70","","","","- Au Li S -","- Au Li S -","- Au16 Li16 S16 -","16","0.5","","Fu Qiang Huang; Yuting Yang; Christine Flaschenriem; James A. Ibers","Syntheses and Structures of LiAuS and Li3AuS2","Inorganic Chemistry","2001","40","","1397","1398","10.1021/ic001275i","","","0.71073","MoKα","","0.035","0.027","","","0.0663","0.0683","","","","","","1.197","","","","has coordinates","179274","2020-10-21","18:00:00","" "4319430","5.7689","0.0012","11.287","0.002","6.2813","0.0013","90","","90","","90","","409","0.14","153","2","153","2","","","","","","","","3","I b a m","-I 2 2c","72","","","","- Au Li3 S2 -","- Au Li3 S2 -","- Au4 Li12 S8 -","4","0.25","","Fu Qiang Huang; Yuting Yang; Christine Flaschenriem; James A. Ibers","Syntheses and Structures of LiAuS and Li3AuS2","Inorganic Chemistry","2001","40","","1397","1398","10.1021/ic001275i","","","0.71073","MoKα","","0.0341","0.0327","","","0.0797","0.0802","","","","","","1.567","","","","has coordinates","179274","2020-10-21","18:00:00","" "4319431","7.0029","0.0002","14.9415","0.0006","17.2168","0.0004","72.396","0.0018","82.723","0.002","89.19","0.002","1702.71","0.09","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C12 H26 Mo N4 O6 -","- C12 H26 Mo N4 O6 -","- C48 H104 Mo4 N16 O24 -","4","2","","Patrick C. McGowan; Thomas J. Podesta; Mark Thornton-Pett","N-Monofunctionalized 1,4,7-Triazacyclononane Macrocycles as Building Blocks in Inorganic Crystal Engineering","Inorganic Chemistry","2001","40","","1445","1453","10.1021/ic0006854","","","0.71069","MoKα","","0.0526","0.0438","","","0.1119","0.1187","","","","","","1.039","","","","has coordinates,has disorder","179274","2020-10-21","18:00:00","" "4319432","7.5214","0.0001","12.0922","0.0003","14.346","0.0004","90","","90","","90","","1304.77","0.05","180","2","180","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C9 H21 Mo N3 O4 -","- C9 H21 Mo N3 O4 -","- C36 H84 Mo4 N12 O16 -","4","1","","Patrick C. McGowan; Thomas J. Podesta; Mark Thornton-Pett","N-Monofunctionalized 1,4,7-Triazacyclononane Macrocycles as Building Blocks in Inorganic Crystal Engineering","Inorganic Chemistry","2001","40","","1445","1453","10.1021/ic0006854","","","0.71073","MoKα","","0.0209","0.0207","","","0.0557","0.0559","","","","","","1.055","","","","has coordinates","179274","2020-10-21","18:00:00","" "4319433","7.7224","0.0002","14.786","0.0003","10.7979","0.0002","90","","91.279","0.0012","90","","1232.63","0.05","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C6 H21 Mo N3 O6 -","- C6 H21 Mo N3 O6 -","- C24 H84 Mo4 N12 O24 -","4","1","","Patrick C. McGowan; Thomas J. Podesta; Mark Thornton-Pett","N-Monofunctionalized 1,4,7-Triazacyclononane Macrocycles as Building Blocks in Inorganic Crystal Engineering","Inorganic Chemistry","2001","40","","1445","1453","10.1021/ic0006854","","","0.71073","MoKα","","0.0601","0.059","","","0.1573","0.1584","","","","","","1.136","","","","has coordinates","179274","2020-10-21","18:00:00","" "4319434","7.4714","0.0002","12.5388","0.0003","13.0858","0.0003","90","","90","","90","","1225.91","0.05","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C8 H21 Mo N3 O5 -","- C8 H21 Mo N3 O5 -","- C32 H84 Mo4 N12 O20 -","4","1","","Patrick C. McGowan; Thomas J. Podesta; Mark Thornton-Pett","N-Monofunctionalized 1,4,7-Triazacyclononane Macrocycles as Building Blocks in Inorganic Crystal Engineering","Inorganic Chemistry","2001","40","","1445","1453","10.1021/ic0006854","","","0.71073","MoKα","","0.0259","0.0258","","","0.07","0.0701","","","","","","1.119","","","","has coordinates","179274","2020-10-21","18:00:00","" "4319435","7.5207","0.0002","11.2913","0.0002","17.2166","0.0005","90","","90","","90","","1462.01","0.06","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C10 H21 Mo N3 O5 -","- C10 H21 Mo N3 O5 -","- C40 H84 Mo4 N12 O20 -","4","1","","Patrick C. McGowan; Thomas J. Podesta; Mark Thornton-Pett","N-Monofunctionalized 1,4,7-Triazacyclononane Macrocycles as Building Blocks in Inorganic Crystal Engineering","Inorganic Chemistry","2001","40","","1445","1453","10.1021/ic0006854","","","0.71069","MoKα","","0.0331","0.0323","","","0.0855","0.0864","","","","","","1.023","","","","has coordinates","179274","2020-10-21","18:00:00","" "4319436","10.54","0.002","13.835","0.003","8.123","0.003","90","0","97.01","0.02","90","0","1175.6","0.6","298","","","","","","","","","","Kogakuin","7","P 1 21/n 1","-P 2yn","14","","","","- C4 H8 Cl3 K N2 O4 Pt -","- C4 H6 Cl3 K N2 O4 Pt -","- C16 H24 Cl12 K4 N8 O16 Pt4 -","4","1","","Masatoshi Watabe; Masahiro Kai; Seiichi Asanuma; Mituha Yoshikane; Akira Horiuchi; Ayako Ogasawara; Toshihiko Watanabe; Takeshi Mikami; Tatsuji Matsumoto","Platinum(IV) Complexes with Dipeptide. X-ray Crystal Structure, 195Pt NMR Spectra, and Their Inhibitory Glucose Metabolism Activity inCandidaalbicans","Inorganic Chemistry","2001","40","","1496","1500","10.1021/ic000686w","","","0.71073","MoK-alpha","","","0.031","","","0.042","","","","","1.124","1.124","","","","","has coordinates","176467","2020-10-21","18:00:00","" "4319437","13.2046","0.0002","16.8107","0.0003","20.3873","0.0003","90","","93.386","0.001","90","","4517.64","0.12","95","2","95","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C56 H32 N4 O4 Rh2 S2 -","- C56 H32 N4 O4 Rh2 S2 -","- C224 H128 N16 O16 Rh8 S8 -","4","0.5","","Seenichamy Jeyaprakash Narayanan; Bashyam Sridevi; Tavarekere K. Chandrashekar; Ulrich Englich; Karin Ruhlandt-Senge","Interaction of Rh(I) with meso-Arylsapphyrins and -Rubyrins: First Structural Characterization of Bimetallic Hetero-rubyrin Complex","Inorganic Chemistry","2001","40","","1637","1645","10.1021/ic000703h","","","0.71073","MoKα","","0.0609","0.0384","","","0.0776","0.0833","","","","","","1.044","","","","has coordinates","179274","2020-10-21","18:00:00","" "4319438","12.6584","0.0005","12.6584","0.0005","28.6483","0.0014","90","","90","","90","","4590.5","0.3","295","2","295","2","","","","","","","","7","P 43 21 2","P 4nw 2abw","96","","","","- C32 H54 Br Cu2 F18 N8 P3 -","- C32 H54 Br Cu2 F18 N8 P3 -","- C128 H216 Br4 Cu8 F72 N32 P12 -","4","0.5","","Manawadevi Y. Udugala-Ganehenege; Mary Jane Heeg; Lew M. Hryhorczuk; Lowell E. Wenger; John F. Endicott","Electron/Atom Transfer in Halo-Bridged Homobimetallic Complexes. Structure and Donor-Acceptor Properties of Face-to-Face Dicopper Complexes with Teraazamacrocyclic Ligands","Inorganic Chemistry","2001","40","","1614","1625","10.1021/ic000726w","","","0.71073","MoKα","","0.1303","0.0711","","0.1713","0.1469","","","","1.025","1.14","1.14","","","","","has coordinates","179274","2020-10-21","18:00:00","" "4319439","32.749","0.002","18.8915","0.0009","26.022","0.002","90","","114.831","0.002","90","","14610.9","1.6","295","2","295","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C32 H67.33 Cl4 Cu2 N8 O10.67 -","- C32 H54 Cl4 Cu2 N8 O10.6667 -","- C384 H648 Cl48 Cu24 N96 O128 -","12","1.5","","Manawadevi Y. Udugala-Ganehenege; Mary Jane Heeg; Lew M. Hryhorczuk; Lowell E. Wenger; John F. Endicott","Electron/Atom Transfer in Halo-Bridged Homobimetallic Complexes. Structure and Donor-Acceptor Properties of Face-to-Face Dicopper Complexes with Teraazamacrocyclic Ligands","Inorganic Chemistry","2001","40","","1614","1625","10.1021/ic000726w","","","0.71073","MoKα","","0.1324","0.0797","","0.2798","0.2469","","","","1.036","1.211","1.211","","","","","has coordinates","179274","2020-10-21","18:00:00","" "4319440","10.505","0.001","10.505","0.001","15.916","0.003","90","","90","","90","","1756.4","0.4","293","2","293","2","","","","","","","","6","P 42/n :2","-P 4bc","86","","","","- C10 H20 Cl2 N4 O2 Pt -","- C10 H20 Cl2 N4 O2 Pt -","- C40 H80 Cl8 N16 O8 Pt4 -","4","0.5","","Gabriele Wagner; Tatyana B. Pakhomova; Nadezhda A. Bokach; João J. R. Fraústo da Silva; Jose Vicente; Armando J. L. Pombeiro; Vadim Yu. Kukushkin","Reduction of (imine)Pt(IV) to (imine)Pt(II) Complexes with Carbonyl-Stabilized Phosphorus Ylides","Inorganic Chemistry","2001","40","","1683","1689","10.1021/ic000769c","","","0.71073","MoKα","","0.0394","0.0394","","","0.0982","0.0982","","","","","","1.043","","","","has coordinates","179274","2020-10-21","18:00:00","" "4319441","19.661","0.007","12.486","0.004","10.149","0.003","90","","90","","90","","2491.5","1.4","293","","293","","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C23 H23 Cl3 N O2 P Pt -","- C23 H23 Cl3 N O2 P Pt -","- C92 H92 Cl12 N4 O8 P4 Pt4 -","4","1","","Gabriele Wagner; Tatyana B. Pakhomova; Nadezhda A. Bokach; João J. R. Fraústo da Silva; Jose Vicente; Armando J. L. Pombeiro; Vadim Yu. Kukushkin","Reduction of (imine)Pt(IV) to (imine)Pt(II) Complexes with Carbonyl-Stabilized Phosphorus Ylides","Inorganic Chemistry","2001","40","","1683","1689","10.1021/ic000769c","","","0.71069","MoKα","","","0.0379","","","0.041","","","","","2.84","2.84","","","","","has coordinates","176467","2020-10-21","18:00:00","" "4319442","10.689","0.002","21.345","0.003","12.282","0.002","90","","90.294","0.012","90","","2802.2","0.8","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C27 H26 Cl4 N P Pd -","- C27 H24 Cl4 N P Pd -","- C108 H96 Cl16 N4 P4 Pd4 -","4","1","","Jacques Andrieu; Jean-Michel Camus; Jochen Dietz; Philippe Richard; Rinaldo Poli","Synthesis of β-P,N Aminophosphines and Coordination Chemistry to PdII. X-ray Structures of [PdCl2(Ph2PCH2CH(Ph)NHPh-κP,κN)] and [PdCl(η3-C3H5)(Ph2PCH2CH(Ph)NHPh-κP)]","Inorganic Chemistry","2001","40","","1597","1605","10.1021/ic000867y","","","0.71073","MoKα","","0.08","0.0386","","","0.0986","0.1107","","","","","","1.063","","","","has coordinates","179274","2020-10-21","18:00:00","" "4319443","10.912","0.001","17.194","0.002","14.169","0.002","90","","100.651","0.009","90","","2612.6","0.5","293","2","293","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C29 H29 Cl N P Pd -","- C29 H29 Cl N P Pd -","- C116 H116 Cl4 N4 P4 Pd4 -","4","1","","Jacques Andrieu; Jean-Michel Camus; Jochen Dietz; Philippe Richard; Rinaldo Poli","Synthesis of β-P,N Aminophosphines and Coordination Chemistry to PdII. X-ray Structures of [PdCl2(Ph2PCH2CH(Ph)NHPh-κP,κN)] and [PdCl(η3-C3H5)(Ph2PCH2CH(Ph)NHPh-κP)]","Inorganic Chemistry","2001","40","","1597","1605","10.1021/ic000867y","","","0.71073","MoKα","","0.0301","0.0241","","","0.0604","0.0629","","","","","","1.073","","","","has coordinates","179274","2020-10-21","18:00:00","" "4319444","16.056","0.001","10.974","0.001","18.25","0.002","90","","90","","90","","3215.6","0.5","296.2","","296.2","","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C25 H45 B N8 S3 W -","- C25 H39 B N8 S3 W -","- C100 H156 B4 N32 S12 W4 -","4","0.5","","Hidetake Seino; Yasushi Arai; Naohisa Iwata; Shoken Nagao; Yasushi Mizobe; Masanobu Hidai","Preparation of Mononuclear Tungsten Tris(sulfido) and Molybdenum Sulfido-Tetrasulfido Complexes with Hydridotris(pyrazolyl)borate Coligand and Conversion of the Former into Sulfido-Bridged Bimetallic Complex Having Pt(μ-S)2WS Core","Inorganic Chemistry","2001","40","","1677","1682","10.1021/ic0008823","","","0.7107","MoKα","","0.0232","0.0232","","","0.025","0.025","","","","","","1.543","","","","has coordinates","176467","2020-10-21","18:00:00","" "4319445","17.132","0.002","16.258","0.002","17.542","0.002","90","","90","","90","","4886","1","296.2","","296.2","","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C17 H30 B N7 O S3 W -","- C17 H30 B N7 S3 W -","- C136 H240 B8 N56 S24 W8 -","8","1","","Hidetake Seino; Yasushi Arai; Naohisa Iwata; Shoken Nagao; Yasushi Mizobe; Masanobu Hidai","Preparation of Mononuclear Tungsten Tris(sulfido) and Molybdenum Sulfido-Tetrasulfido Complexes with Hydridotris(pyrazolyl)borate Coligand and Conversion of the Former into Sulfido-Bridged Bimetallic Complex Having Pt(μ-S)2WS Core","Inorganic Chemistry","2001","40","","1677","1682","10.1021/ic0008823","","","0.7107","MoKα","","0.0431","0.0431","","","0.05","0.05","","","","","","1.551","","","","has coordinates","176467","2020-10-21","18:00:00","" "4319446","10.285","0.002","16.47","0.002","19.405","0.001","90","","103.32","0.009","90","","3198.7","0.8","296.2","","296.2","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C23 H42 B Mo N7 S5 -","- C23 H35.4 B Mo N7 S5 -","- C92 H141.6 B4 Mo4 N28 S20 -","4","1","","Hidetake Seino; Yasushi Arai; Naohisa Iwata; Shoken Nagao; Yasushi Mizobe; Masanobu Hidai","Preparation of Mononuclear Tungsten Tris(sulfido) and Molybdenum Sulfido-Tetrasulfido Complexes with Hydridotris(pyrazolyl)borate Coligand and Conversion of the Former into Sulfido-Bridged Bimetallic Complex Having Pt(μ-S)2WS Core","Inorganic Chemistry","2001","40","","1677","1682","10.1021/ic0008823","","","0.7107","MoKα","","0.0367","0.0367","","","0.0381","0.0381","","","","","","1.448","","","","has coordinates","176467","2020-10-21","18:00:00","" "4319447","10.255","0.003","14.873","0.003","16.959","0.005","90","","95.13","0.03","90","","2576.3","1.2","296.2","","296.2","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C17 H30 B Mo N7 S5 -","- C17 H25 B Mo N7 S5 -","- C68 H100 B4 Mo4 N28 S20 -","4","1","","Hidetake Seino; Yasushi Arai; Naohisa Iwata; Shoken Nagao; Yasushi Mizobe; Masanobu Hidai","Preparation of Mononuclear Tungsten Tris(sulfido) and Molybdenum Sulfido-Tetrasulfido Complexes with Hydridotris(pyrazolyl)borate Coligand and Conversion of the Former into Sulfido-Bridged Bimetallic Complex Having Pt(μ-S)2WS Core","Inorganic Chemistry","2001","40","","1677","1682","10.1021/ic0008823","","","0.7107","MoKα","","0.04","0.04","","","0.04","0.04","","","","","","1.182","","","","has coordinates","176467","2020-10-21","18:00:00","" "4319448","17.271","0.004","18.961","0.002","20.337","0.005","90","","90","","90","","6660","2","296.2","","296.2","","","","","","","","","8","P b c a","-P 2ac 2ab","61","","","","- C23 H42 B Cl2 N7 Pt S3 W -","- C23 H42 B Cl2 N7 Pt S3 W -","- C184 H336 B8 Cl16 N56 Pt8 S24 W8 -","8","1","","Hidetake Seino; Yasushi Arai; Naohisa Iwata; Shoken Nagao; Yasushi Mizobe; Masanobu Hidai","Preparation of Mononuclear Tungsten Tris(sulfido) and Molybdenum Sulfido-Tetrasulfido Complexes with Hydridotris(pyrazolyl)borate Coligand and Conversion of the Former into Sulfido-Bridged Bimetallic Complex Having Pt(μ-S)2WS Core","Inorganic Chemistry","2001","40","","1677","1682","10.1021/ic0008823","","","0.7107","MoKα","","0.043","0.043","","","0.0425","0.0425","","","","","","1.451","","","","has coordinates","176467","2020-10-21","18:00:00","" "4319449","7.992","0.0001","11.4385","0.0001","16.1415","0.0001","90","","103.327","0.001","90","","1435.86","0.02","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H12 N2 Ni S2 -","- C16 H12 N2 Ni S2 -","- C64 H48 N8 Ni4 S8 -","4","1","","T. Matthew Cocker; Robert E. Bachman","Photochemical and Chemical Oxidation of α-Dimine-Dithiolene Metal Complexes: Insight into the Role of the Metal Atom","Inorganic Chemistry","2001","40","","1550","1556","10.1021/ic000884n","","","0.71073","MoKα","","0.0581","0.0363","","","0.0625","0.0692","","","","","","1.061","","","","has coordinates","179274","2020-10-21","18:00:00","" "4319450","8.1631","0.0005","11.4379","0.0007","16.2475","0.001","90","","103.701","0.001","90","","1473.84","0.16","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H12 N2 Pd S2 -","- C16 H12 N2 Pd S2 -","- C64 H48 N8 Pd4 S8 -","4","1","","T. Matthew Cocker; Robert E. Bachman","Photochemical and Chemical Oxidation of α-Dimine-Dithiolene Metal Complexes: Insight into the Role of the Metal Atom","Inorganic Chemistry","2001","40","","1550","1556","10.1021/ic000884n","","","0.71073","MoKα","","0.031","0.0215","","","0.0476","0.0495","","","","","","0.95","","","","has coordinates","201982","2020-10-21","18:00:00","" "4319451","8.026","0.003","14.6","0.006","13.371","0.003","90","","101.8","0.03","90","","1533.7","0.9","193","2","193","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C16 H12 N2 O2.7 Pd S2 -","- C16 H12 N2 O2.7 Pd S2 -","- C64 H48 N8 O10.8 Pd4 S8 -","4","1","","T. Matthew Cocker; Robert E. Bachman","Photochemical and Chemical Oxidation of α-Dimine-Dithiolene Metal Complexes: Insight into the Role of the Metal Atom","Inorganic Chemistry","2001","40","","1550","1556","10.1021/ic000884n","","","0.71073","MoKα","","0.1064","0.0611","","","0.0919","0.1047","","","","","","1.1","","","","has coordinates","176467","2020-10-21","18:00:00","" "4319452","8.5611","0.0009","14.4586","0.0015","13.3677","0.0014","90","","108.122","0.002","90","","1572.6","0.3","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C16 H12 N2 O4 Pd S2 -","- C16 H12 N2 O4 Pd S2 -","- C64 H48 N8 O16 Pd4 S8 -","4","1","","T. Matthew Cocker; Robert E. Bachman","Photochemical and Chemical Oxidation of α-Dimine-Dithiolene Metal Complexes: Insight into the Role of the Metal Atom","Inorganic Chemistry","2001","40","","1550","1556","10.1021/ic000884n","","","0.71073","MoKα","","0.0662","0.0439","","","0.1047","0.1106","","","","","","0.943","","","","has coordinates","201982","2020-10-21","18:00:00","" "4319453","13.171","0.003","10.086","0.002","16.613","0.003","90","","90","","90","","2206.9","0.8","173","2","173","2","","","","","","","","5","P b c n","-P 2n 2ab","60","Ir(ppy)2(acac)","","","- C27 H23 Ir N2 O2 -","- C27 H23 Ir N2 O2 -","- C108 H92 Ir4 N8 O8 -","4","0.5","","Sergey Lamansky; Peter Djurovich; Drew Murphy; Feras Abdel-Razzaq; Raymond Kwong; Irina Tsyba; Manfred Bortz; Becky Mui; Robert Bau; Mark E. Thompson","Synthesis and Characterization of Phosphorescent Cyclometalated Iridium Complexes","Inorganic Chemistry","2001","40","","1704","1711","10.1021/ic0008969","","","0.71073","MoKα","","0.087","0.0678","","0.2558","0.2199","","","","1.129","1.171","1.171","","","","","has coordinates","179274","2020-10-21","18:00:00","" "4319454","9.6974","0.0017","11.6164","0.0014","12.3706","0.0014","64.34","0.006","76.153","0.009","87.211","0.01","1217.2","0.3","173","","173","","","","","","","","","5","P -1","-P 1","2","(ptpy)2Ir(acac)","","","- C29 H26 Ir N2 O2 -","- C29 H27 Ir N2 O2 -","- C58 H54 Ir2 N4 O4 -","2","1","","Sergey Lamansky; Peter Djurovich; Drew Murphy; Feras Abdel-Razzaq; Raymond Kwong; Irina Tsyba; Manfred Bortz; Becky Mui; Robert Bau; Mark E. Thompson","Synthesis and Characterization of Phosphorescent Cyclometalated Iridium Complexes","Inorganic Chemistry","2001","40","","1704","1711","10.1021/ic0008969","","","0.71073","MoKα","","0.0336","0.027","","0.09","0.0805","","","","0.725","0.686","0.686","","","","","has coordinates","179274","2020-10-21","18:00:00","" "4319455","21.548","0.0015","25.094","0.002","15.4485","0.0011","90","","90","","90","","8353.4","1.1","173","2","173","2","","","","","","","Prof. Ty. Caudle - ASU","5","C c c a :2","-C 2a 2ac","68","00011a","","","- C15 H30 Mg1.5 N3 O6 -","- C15 H30 Mg1.5 N3 O6 -","- C240 H480 Mg24 N48 O96 -","16","1","","M. Tyler Caudle; Ronald A. Nieman; Victor G. Young","Assembly of the Inorganic Double Helix Mg6(Et2NCO2)12 by Fixation of Carbon Dioxide: Crystal and Solution Structure","Inorganic Chemistry","2001","40","","1571","1575","10.1021/ic0009425","","","0.71073","MoKα","","0.0434","0.0323","","0.0978","0.0878","","","","1.045","1.039","1.039","","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00","" "4319456","15.97","0.003","15.97","0.002","7.783","0.002","90","0.003","90","0.003","120","0.003","1719","0.6","296","2","296","2","","","","","","","","5","R -3 :H","-R 3","148","zinc hydroxymethylphosphonate","zinc hydroxymethylphosphonate","","- C H3 O4 P Zn -","- C H3 O4 P Zn -","- C18 H54 O72 P18 Zn18 -","18","1","","Gary B. Hix; Benson M. Kariuki; Simon Kitchin; Maryjane Tremayne","Synthesis and Structural Characterization of Zn(O3PCH2OH), a New Microporous Zinc Phosphonate","Inorganic Chemistry","2001","40","","1477","1481","10.1021/ic000943x","","","0.71069","MoKα","","0.0196","0.0194","","","0.0509","0.051","","","","","","1.255","","","","has coordinates","179274","2020-10-21","18:00:00","" "4319457","10.1231","0.0002","16.5442","0.0006","13.6701","0.0005","90","","104.446","0.002","90","","2217.06","0.12","150","2","150","2","","","","","","","see text","6","P 1 21 1","P 2yb","4","","3A: (nitrato-O)[N,N-bis(1-propan-2-only oxime)-L-methionine N'-methylamide] nickel(II) nitrate 3B: (nitrato-O)(methanol)[N,N-bis(1-propan-2-only oxime)-L-methionine N'-methylamide] nickel(II) nitrate","","- C25 H51 N12 Ni2 O19 S2 -","- C25 H51 N12 Ni2 O19 S2 -","- C50 H102 N24 Ni4 O38 S4 -","2","1","","Dell T. Rosa; Jeanette A. Krause Bauer; Michael J. Baldwin","Structural and Spectroscopic Studies of the Versatile Coordination Chemistry of the Chiral Ligand N,N-Bis(1-propan-2-onyl oxime)-l-methionine N'-Methylamide with Ni^II^ and Zn^II^","Inorganic Chemistry","2001","40","","1606","1613","10.1021/ic000971f","","","0.71073","MoKα","","0.0702","0.0563","","","0.1323","0.1392","","","","","","1.091","","","","has coordinates","179274","2020-10-21","18:00:00","" "4319458","8.6833","0.0002","10.4612","0.0002","21.0386","0.0003","90","","90","","90","","1911.1","0.06","294","2","294","2","","","","","","","see text","7","P 21 21 21","P 2ac 2ab","19","","dichloro[N,N-bis(1-propan-2-only oxime)-L-methionine N'-methylamide] zinc(II)","","- C12 H24 Cl2 N4 O3 S Zn -","- C12 H24 Cl2 N4 O3 S Zn -","- C48 H96 Cl8 N16 O12 S4 Zn4 -","4","1","","Dell T. Rosa; Jeanette A. Krause Bauer; Michael J. Baldwin","Structural and Spectroscopic Studies of the Versatile Coordination Chemistry of the Chiral Ligand N,N-Bis(1-propan-2-onyl oxime)-l-methionine N'-Methylamide with Ni^II^ and Zn^II^","Inorganic Chemistry","2001","40","","1606","1613","10.1021/ic000971f","","","0.71073","MoKα","","0.0402","0.0314","","","0.0676","0.0711","","","","","","1.049","","","","has coordinates","179274","2020-10-21","18:00:00","" "4319459","12.4125","0.0002","12.4125","0.0002","23.0975","0.0008","90","","90","","120","","3081.87","0.13","150","2","150","2","","","","","","","see text","7","P 65","P 65","170","","dichloro[N,N-bis(1-propan-2-only oxime)-L-methionine N'-methylamide] nickel(II)","","- C12 H24 Cl2 N4 Ni O3 S -","- C12 H24 Cl2 N4 Ni O3 S -","- C72 H144 Cl12 N24 Ni6 O18 S6 -","6","1","","Dell T. Rosa; Jeanette A. Krause Bauer; Michael J. Baldwin","Structural and Spectroscopic Studies of the Versatile Coordination Chemistry of the Chiral Ligand N,N-Bis(1-propan-2-onyl oxime)-l-methionine N'-Methylamide with Ni^II^ and Zn^II^","Inorganic Chemistry","2001","40","","1606","1613","10.1021/ic000971f","","","0.71073","MoKα","","0.0645","0.0472","","","0.111","0.1203","","","","","","1.036","","","","has coordinates","179274","2020-10-21","18:00:00","" "4319460","14.2124","0.0003","22.3326","0.0003","19.5692","0.0004","90","","95.463","0.001","90","","6183","0.2","188","2","188","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","[Fe2(BPMAN)(PhCyCOO)2](OTf)2","","","- C62 H62 F6 Fe2 N8 O10 S2 -","- C62 H62 F6 Fe2 N8 O10 S2 -","- C248 H248 F24 Fe8 N32 O40 S8 -","4","1","","Chuan He; Stephen J. Lippard","Synthesis and Electrochemical Studies of Diiron Complexes of 1,8-Naphthyridine-Based Dinucleating Ligands to Model Features of the Active Sites of Non-Heme Diiron Enzymes","Inorganic Chemistry","2001","40","","1414","1420","10.1021/ic000975k","","","0.71073","MoKα","","0.1162","0.0658","","","0.166","0.1839","","","","","","1.084","","","","has coordinates","288183","2023-12-08","14:42:59","" "4319461","10.249","0.0003","21.7275","0.0005","24.6524","0.0007","90","","90","","90","","5489.7","0.3","188","2","188","2","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","[Fe2(OH)(BPMAN)(PhCyCOO)](OTf)2","","","- C50 H50 Cl2 F6 Fe2 N8 O9 S2 -","- C50 H47 Cl2 F6 Fe2 N8 O9 S2 -","- C200 H188 Cl8 F24 Fe8 N32 O36 S8 -","4","1","","Chuan He; Stephen J. Lippard","Synthesis and Electrochemical Studies of Diiron Complexes of 1,8-Naphthyridine-Based Dinucleating Ligands to Model Features of the Active Sites of Non-Heme Diiron Enzymes","Inorganic Chemistry","2001","40","","1414","1420","10.1021/ic000975k","","","0.71073","MoKα","","0.0942","0.0769","","","0.2038","0.2123","","","","","","1.538","","","","has coordinates","179274","2020-10-21","18:00:00","" "4319462","13.559","0.0004","14.6503","0.0004","18.3921","0.0006","82.069","0.001","70.074","0.001","64.637","0.001","3103.54","0.16","188","2","188","2","","","","","","","","7","P -1","-P 1","2","[Mn2(BPMAN)(PhCyCOO)2](OTf)2","","","- C62 H62 F6 Mn2 N8 O10 S2 -","- C62 H62 F6 Mn2 N8 O10 S2 -","- C124 H124 F12 Mn4 N16 O20 S4 -","2","1","","Chuan He; Stephen J. Lippard","Synthesis and Electrochemical Studies of Diiron Complexes of 1,8-Naphthyridine-Based Dinucleating Ligands to Model Features of the Active Sites of Non-Heme Diiron Enzymes","Inorganic Chemistry","2001","40","","1414","1420","10.1021/ic000975k","","","0.71073","MoKα","","0.0877","0.0548","","","0.1415","0.1565","","","","","","0.994","","","","has coordinates","179274","2020-10-21","18:00:00","" "4319463","10.8927","0.0001","38.5562","0.0005","14.9577","0.0002","90","","110.07","","90","","5900.47","0.12","293","2","293","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","[Fe2(BEAN)(PhCyCOO)3](OTf)","","","- C59 H75 Cl2 F3 Fe2 N4 O9 S -","- C59 H73 Cl2 F3 Fe2 N4 O9 S -","- C236 H292 Cl8 F12 Fe8 N16 O36 S4 -","4","1","","Chuan He; Stephen J. Lippard","Synthesis and Electrochemical Studies of Diiron Complexes of 1,8-Naphthyridine-Based Dinucleating Ligands to Model Features of the Active Sites of Non-Heme Diiron Enzymes","Inorganic Chemistry","2001","40","","1414","1420","10.1021/ic000975k","","","0.71073","MoKα","","0.0631","0.0445","","","0.1254","0.1343","","","","","","0.967","","","","has coordinates","179274","2020-10-21","18:00:00","" "4319464","15.6105","0.0005","32.7813","0.0011","11.6641","0.0004","90","","90","","90","","5968.9","0.3","188","2","188","2","","","","","","","","7","P 21 21 2","P 2 2ab","18","[Fe2(BBBAN)(OAc)2(OTf)](OTf)","","","- C52 H53 F6 Fe2 N9 O10 S2 -","- C52 H50 F6 Fe2 N9 O10 S2 -","- C208 H200 F24 Fe8 N36 O40 S8 -","4","1","","Chuan He; Stephen J. Lippard","Synthesis and Electrochemical Studies of Diiron Complexes of 1,8-Naphthyridine-Based Dinucleating Ligands to Model Features of the Active Sites of Non-Heme Diiron Enzymes","Inorganic Chemistry","2001","40","","1414","1420","10.1021/ic000975k","","","0.71073","MoKα","","0.0753","0.0631","","","0.17","0.176","","","","","","1.329","","","","has coordinates","179274","2020-10-21","18:00:00","" "4319465","13.2564","0.0003","7.5742","0.0001","14.2386","0.0003","90","","98.731","0.001","90","","1413.08","0.05","123","2","123","2","","","","","","","","5","P 1 2/n 1","-P 2yac","13","(Ph4P)(Mn(dca)3)","tetraphenylphosphonium manganese(II) tris(dicyanamide)","","- C30 H20 Mn N9 P -","- C30 H20 Mn N9 P -","- C60 H40 Mn2 N18 P2 -","2","0.5","","Patricia M. van der Werff; Stuart R. Batten; Paul Jensen; Boujemaa Moubaraki; Keith S. Murray","Cation Templation of Anionic Metal Dicyanamide Networks","Inorganic Chemistry","2001","40","","1718","1722","10.1021/ic000978x","","","0.71073","MoKα","","0.0359","0.0293","","","0.0632","0.065","","","","","","1.048","","","","has coordinates","179274","2020-10-21","18:00:00","" "4319466","13.3943","0.0004","7.5841","0.0001","14.3076","0.0004","90","","99.893","0.001","90","","1431.81","0.06","123","2","123","2","","","","","","","","5","P 1 2/n 1","-P 2yac","13","(Ph4As)(Mn(dca)3)","tetraphenylarsonium manganese(II) tris(dicyanamide)","","- C30 H20 As Mn N9 -","- C30 H20 As Mn N9 -","- C60 H40 As2 Mn2 N18 -","2","0.5","","Patricia M. van der Werff; Stuart R. Batten; Paul Jensen; Boujemaa Moubaraki; Keith S. Murray","Cation Templation of Anionic Metal Dicyanamide Networks","Inorganic Chemistry","2001","40","","1718","1722","10.1021/ic000978x","","","0.71073","MoKα","","0.0381","0.0329","","","0.1005","0.1033","","","","","","1.211","","","","has coordinates","179274","2020-10-21","18:00:00","" "4319467","13.9593","0.0003","17.2","0.0002","20.8587","0.0005","90","","90","","90","","5008.17","0.17","123","2","123","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","(MePh3P)(Mn(dca)3)","methyltriphenylphosphonium manganese(II) tris(dicyanamide)","","- C25 H18 Mn N9 P -","- C25 H18 Mn N9 P -","- C200 H144 Mn8 N72 P8 -","8","2","","Patricia M. van der Werff; Stuart R. Batten; Paul Jensen; Boujemaa Moubaraki; Keith S. Murray","Cation Templation of Anionic Metal Dicyanamide Networks","Inorganic Chemistry","2001","40","","1718","1722","10.1021/ic000978x","","","0.71073","MoKα","","0.102","0.0509","","","0.0759","0.0866","","","","","","1.018","","","","has coordinates","179274","2020-10-21","18:00:00","" "4319468","7.234","0.003","10.99","0.003","15.411","0.005","99.87","0.02","92.1","0.03","105.58","0.03","1158.3","0.7","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","(μ^2^-Oxo-{[2-amino-N,N-bis(2-hydroxyethyl)-ethylamine]-zinc(II)}- {[2-amino-N,N-bis(2-hydroxyethyl)-ethylamine]-hydroxo-zinc(II)]) bistetrafluoroborate","","- C12 H32 B2 F8 N4 O5 Zn2 -","- C12 H28 B2 F8 N4 O5 Zn2 -","- C24 H56 B4 F16 N8 O10 Zn4 -","2","1","","Bin Song; Jenny Reuber; Christian Ochs; F. Ekkehardt Hahn; Thomas Lügger; Chris Orvig","Effects of Sequential Replacement of -NH2by -OH in the Tripodal Tetraamine Tren on Its Acidity and Metal Ion Coordinating Properties","Inorganic Chemistry","2001","40","","1527","1535","10.1021/ic0009831","","","0.71073","MoKα","","0.153","0.0667","","","0.1681","0.2089","","","","","","1.023","","","","has coordinates","179274","2020-10-21","18:00:00","" "4319469","10.2479","0.0012","12.13","0.002","14.353","0.003","82.228","0.015","80.794","0.011","65.715","0.014","1600.6","0.5","293","","293","","","","","","","","","6","P -1","-P 1","2","","","","- C17 H35 Cl2 Cu2 N6 O10 -","- C17 H35 Cl3 Cu2 N6 O14 -","- C34 H70 Cl6 Cu4 N12 O28 -","2","1","","Bim Graham; Milton T. W. Hearn; Peter C. Junk; Christopher M. Kepert; Frank E. Mabbs; Boujemaa Moubaraki; Keith S. Murray; Leone Spiccia","Syntheses, Crystal Structures, Magnetic Properties, and EPR Spectra of Tetranuclear Copper(II) Complexes Featuring Pairs of ""Roof-Shaped"" Cu2X2 Dimers with Hydroxide, Methoxide, and Azide Bridges","Inorganic Chemistry","2001","40","","1536","1543","10.1021/ic000991h","","","0.71073","xray_tube","","0.238","0.078","","0.228","0.074","","","","8.04","10.843","10.843","","","","","has coordinates","176432","2020-10-21","18:00:00","" "4319470","10.2985","0.0004","12.1182","0.0004","13.9705","0.0003","89.978","0.002","82.038","0.002","65.095","0.002","1562.87","0.09","273.2","","273.2","","","","","","","","","6","P -1","-P 1","2","","","","- C19.33 H36.83 Cl2.5 Cu2 N6 O12.33 -","- C20 H35 Cl3 Cu2 N6 O18 -","- C40 H70 Cl6 Cu4 N12 O36 -","2","1","","Bim Graham; Milton T. W. Hearn; Peter C. Junk; Christopher M. Kepert; Frank E. Mabbs; Boujemaa Moubaraki; Keith S. Murray; Leone Spiccia","Syntheses, Crystal Structures, Magnetic Properties, and EPR Spectra of Tetranuclear Copper(II) Complexes Featuring Pairs of ""Roof-Shaped"" Cu2X2 Dimers with Hydroxide, Methoxide, and Azide Bridges","Inorganic Chemistry","2001","40","","1536","1543","10.1021/ic000991h","","","0.7107","MoKalpha","","","0.082","","","0.0971","","","","","1.217","1.217","","","","","has coordinates","176467","2020-10-21","18:00:00","" "4319471","12.06","0.002","12.554","0.002","14.0509","0.0015","91.846","0.011","98.218","0.012","105.617","0.017","2022.2","0.5","293","","296","","","","","","","","","7","P -1","-P 1","2","","","","- C23 H46 Cu2 F12 N15 O2 P2 -","- C23 H25 Cu2 F12 N15 O2 P2 -","- C46 H50 Cu4 F24 N30 O4 P4 -","2","1","","Bim Graham; Milton T. W. Hearn; Peter C. Junk; Christopher M. Kepert; Frank E. Mabbs; Boujemaa Moubaraki; Keith S. Murray; Leone Spiccia","Syntheses, Crystal Structures, Magnetic Properties, and EPR Spectra of Tetranuclear Copper(II) Complexes Featuring Pairs of ""Roof-Shaped"" Cu2X2 Dimers with Hydroxide, Methoxide, and Azide Bridges","Inorganic Chemistry","2001","40","","1536","1543","10.1021/ic000991h","","","0.71073","xray_tube","","0.202","0.068","","0.078","0.069","","","","1.579","2.169","2.169","","","","","has coordinates","176432","2020-10-21","18:00:00","" "4319472","10.1891","0.0002","7.6223","0.0002","17.2411","0.0004","90","","100.773","0.0012","90","","1315.42","0.05","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C20 H20 B2 F8 Fe N12 -","- C20 H20 B2 F8 Fe N12 -","- C40 H40 B4 F16 Fe2 N24 -","2","0.5","","Daniel L. Reger; Christine A. Little; Arnold L. Rheingold; Matthew Lam; Louise M. Liable-Sands; Brian Rhagitan; Tom Concolino; Amitabh Mohan; Gary J. Long; Valérie Briois; Fernande Grandjean","A Synthetic, Structural, Magnetic, and Spectral Study of Several {Fe[tris(pyrazolyl)methane]2}(BF4)2Complexes: Observation of an Unusual Spin-State Crossover","Inorganic Chemistry","2001","40","","1508","1520","10.1021/ic001102t","","","0.71073","MoKα","","0.0661","0.06","","","0.2051","0.2154","","","","","","1.924","","","","has coordinates","179274","2020-10-21","18:00:00","" "4319473","12.4769","0.0002","12.7449","0.0002","13.0215","0.0002","83.0105","0.0008","84.5554","0.0007","62.5797","0.0002","1822.57","0.05","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C37.5 H33 B2 F8 Fe N10 O0.5 -","- C37.5 H23 B2 F8 Fe N10 O0.5 -","- C75 H46 B4 F16 Fe2 N20 O -","2","1","","Daniel L. Reger; Christine A. Little; Arnold L. Rheingold; Matthew Lam; Louise M. Liable-Sands; Brian Rhagitan; Tom Concolino; Amitabh Mohan; Gary J. Long; Valérie Briois; Fernande Grandjean","A Synthetic, Structural, Magnetic, and Spectral Study of Several {Fe[tris(pyrazolyl)methane]2}(BF4)2Complexes: Observation of an Unusual Spin-State Crossover","Inorganic Chemistry","2001","40","","1508","1520","10.1021/ic001102t","","","0.71073","MoKα","","0.0609","0.0552","","","0.1988","0.2061","","","","","","1.802","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00","" "4319474","8.481","0.001","8.907","0.002","12.109","0.002","93.79","0.01","103.17","0.01","103.11","0.01","860.7","0.3","183.2","","183.2","","","","","","","","","4","P -1","-P 1","2","","","","- C15 H11 Mn N12 -","- C15 H11 Mn N12 -","- C30 H22 Mn2 N24 -","2","1","","Julian Limburg; John S. Vrettos; Robert H. Crabtree; Gary W. Brudvig; Julio C. de Paula; Alia Hassan; Anne-Laure Barra; Carole Duboc-Toia; Marie-Noëlle Collomb","High-Frequency EPR Study of a New Mononuclear Manganese(III) Complex: [(terpy)Mn(N3)3] (terpy = 2,2':6',2''-Terpyridine)","Inorganic Chemistry","2001","40","","1698","1703","10.1021/ic001118j","","","0.7107","MoKalpha","","","0.0369","","","0.0468","","","","","2.079","2.079","","","","","has coordinates","176467","2020-10-21","18:00:00","" "4319475","10.174","0.002","13.016","0.003","7.075","0.0014","90","","101.83","0.03","90","","917","0.3","100","2","293","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C12 H15 N4 O8 Ru2 -","- C12 H12 N4 O8 Ru2 -","- C24 H24 N8 O16 Ru4 -","2","0.25","","Hitoshi Miyasaka; Rodolphe Clérac; Cristian S. Campos-Fernández; Kim R. Dunbar","Metal-Metal Bonded Diruthenium(II, III) Assemblies with the Polycyano Anionic Linkers N(CN)2-, C(CN)3-, and 1,4-Dicyanamido-2,5-dimethylbenzene (DM-Dicyd2-): Syntheses, Structures, and Magnetic Properties","Inorganic Chemistry","2001","40","","1663","1671","10.1021/ic001183t","","","0.71073","MoKα","","0.0676","0.0511","","","0.1257","0.1356","","","","","","0.946","","","","has coordinates","179274","2020-10-21","18:00:00","" "4319476","29.679","0.006","31.409","0.006","7.366","0.0015","90","","90","","90","","6866","2","100","2","293","2","","","","","","","","5","F d d 2","F 2 -2d","43","[Ru2(O2CCH3)4{C(CN)3}]","","","- C12 H12 N3 O8 Ru2 -","- C48 H48 N12 O32 Ru8 -","- C192 H192 N48 O128 Ru32 -","4","0.25","","Hitoshi Miyasaka; Rodolphe Clérac; Cristian S. Campos-Fernández; Kim R. Dunbar","Metal-Metal Bonded Diruthenium(II, III) Assemblies with the Polycyano Anionic Linkers N(CN)2-, C(CN)3-, and 1,4-Dicyanamido-2,5-dimethylbenzene (DM-Dicyd2-): Syntheses, Structures, and Magnetic Properties","Inorganic Chemistry","2001","40","","1663","1671","10.1021/ic001183t","","","0.71073","MoKα","","0.0322","0.0314","","","0.0781","0.0784","","","","","","1.174","","","","has coordinates","179274","2020-10-21","18:00:00","" "4319477","9.216","0.007","9.216","0.007","16.711","0.015","90","","90","","120","","1229.2","1.7","293","0.2","293","0.2","","","","","","","","5","P -3 1 c","-P 3 2c","163","","","","- Ga H4.8 Na O8.4 Te2 -","- Ga2 Na2 O16.7867 Te4 -","- Ga6 Na6 O50.36 Te12 -","3","0.25","","N. S. P. Bhuvanesh; P. Shiv Halasyamani","Synthesis and Characterization of NaGaTe2O6.2.4H2O: A New Open-Framework Tellurite Related to Zemannite","Inorganic Chemistry","2001","40","","1404","1405","10.1021/ic001301c","","","0.71073","MoKα","","0.0169","0.0165","","0.0434","0.0433","","","","1.338","1.347","1.347","","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00","" "4319478","14.181","0.002","18.883","0.004","19.008","0.004","90","","90","","90","","5090","1.7","125","2","125","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","[Fe(II)Fe(III)(BMDP)(O2CPh)3](BF4)","","","- C52 H50 B F4 Fe2 N8 O7 -","- C52 H50 B F4 Fe2 N8 O7 -","- C208 H200 B4 F16 Fe8 N32 O28 -","4","1","","Joe H. Satcher,; Michael W. Droege; Marilyn M. Olmstead; Alan L. Balch","A Mixed Oxidation State, Binuclear Iron Complex Containing an Unsymmetrically Coordinating Ligand. A Ligand-Induced Switch in Redox Behavior","Inorganic Chemistry","2001","40","","1454","1458","10.1021/ic9913177","","","1.54178","CuKα","","0.1515","0.0913","","","0.2221","0.2699","","","","","","1.032","","","","has coordinates","179274","2020-10-21","18:00:00","" "4319479","12.365","0.002","15.485","0.003","13.405","0.002","90","","90","","90","","2566.7","0.8","293","2","293","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- B Cl6.43 I6.8 Zr6 -","- B Cl6.44 I6.67 Zr6 -","- B4 Cl25.76 I26.68 Zr24 -","4","0.5","","Martin Köckerling; Johannes B. Willems; Paul D. Boyle","[(Zr6B)Cl11-xI2+x] (0 <=x<= 6): A New Mixed-Halide Structure with Zigzag Chains of Clusters in Multiply Twinned Crystals","Inorganic Chemistry","2001","40","","1439","1444","10.1021/ic991359v","","","0.71073","MoKα","","","0.062","","","","0.1422","","","","","","1.016","","","","has coordinates","176467","2020-10-21","18:00:00","" "4319480","16.11","0.008","20.38","0.005","11.01","0.01","90","","119.87","0.03","90","","3135","3","23","","23","","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C27 H32 Cd N3 Na O8 S3 -","- C108 H128 Cd4 N12 Na4 O32 S12 -","- C108 H128 Cd4 N12 Na4 O32 S12 -","","","","Hong Zhang; Ximin Wang; David E. Zelmon; Boon K. Teo","Synthesis and Structure of [(DB24C8)Na][Cd(SCN)3]. Formation of a Novel Linear Cd...Cd...Cd Chain with a mer-CdN3S3 Coordination Configuration and a New Coiled [(DB24C8)Na]+ Cation","Inorganic Chemistry","2001","40","","1501","1507","10.1021/ic0001762","","","0.7107","MoKalpha","","","0.051","","","0.052","","","","","2","2","","","","","has coordinates","179274","2020-10-21","18:00:00","" "4319481","9.638","0.005","9.715","0.005","7.237","0.004","90.96","0.01","105.72","0.01","119.74","0.01","557","0.5","298","","298","","","","","","","","","5","P -1","-P 1","2","","","","- C12 H32 Al N5 O16 -","- C12 H31 Al N5 O16 -","- C12 H31 Al N5 O16 -","1","0.5","","M. Matzapetakis; M. Kourgiantakis; M. Dakanali; C. P. Raptopoulou; A. Terzis; A. Lakatos; T. Kiss; I. Banyai; L. Iordanidis; T. Mavromoustakos; A. Salifoglou","Synthesis, pH-Dependent Structural Characterization, and Solution Behavior of Aqueous Aluminum and Gallium Citrate Complexes","Inorganic Chemistry","2001","40","","1734","1744","10.1021/ic000461l","","","0.71073","MoKα","","0.0706","0.0498","","0.164","0.1477","","","","1.068","1.12","1.12","","","","","has coordinates","179274","2020-10-21","18:00:00","" "4319482","9.659","0.006","9.762","0.007","7.258","0.005","90.95","0.02","105.86","0.02","119.28","0.01","564.9","0.7","298","","298","","","","","","","","","5","P -1","-P 1","2","","","","- C12 H32 Ga N5 O16 -","- C12 H31 Ga N5 O16 -","- C12 H31 Ga N5 O16 -","1","0.5","","M. Matzapetakis; M. Kourgiantakis; M. Dakanali; C. P. Raptopoulou; A. Terzis; A. Lakatos; T. Kiss; I. Banyai; L. Iordanidis; T. Mavromoustakos; A. Salifoglou","Synthesis, pH-Dependent Structural Characterization, and Solution Behavior of Aqueous Aluminum and Gallium Citrate Complexes","Inorganic Chemistry","2001","40","","1734","1744","10.1021/ic000461l","","","0.71073","MoKα","","0.0285","0.0281","","0.0755","0.0749","","","","1.077","1.078","1.078","","","","","has coordinates","179274","2020-10-21","18:00:00","" "4319483","19.347","0.003","9.857","0.001","23.412","0.004","90","","100.549","0.005","90","","4389.3","1.1","298","","298","","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C12 H31 Al N4 O17 -","- C12 H31 Al N4 O17 -","- C96 H248 Al8 N32 O136 -","8","1","","M. Matzapetakis; M. Kourgiantakis; M. Dakanali; C. P. Raptopoulou; A. Terzis; A. Lakatos; T. Kiss; I. Banyai; L. Iordanidis; T. Mavromoustakos; A. Salifoglou","Synthesis, pH-Dependent Structural Characterization, and Solution Behavior of Aqueous Aluminum and Gallium Citrate Complexes","Inorganic Chemistry","2001","40","","1734","1744","10.1021/ic000461l","","","1.5418","CuKα","","0.0434","0.0389","","0.1056","0.101","","","","1.032","1.046","1.046","","","","","has coordinates","179274","2020-10-21","18:00:00","" "4319484","19.275","0.001","9.9697","0.0006","23.476","0.001","90","","100.694","0.002","90","","4432.9","0.4","298","","298","","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C12 H31 Ga N4 O17 -","- C12 H31 Ga N4 O17 -","- C96 H248 Ga8 N32 O136 -","8","1","","M. Matzapetakis; M. Kourgiantakis; M. Dakanali; C. P. Raptopoulou; A. Terzis; A. Lakatos; T. Kiss; I. Banyai; L. Iordanidis; T. Mavromoustakos; A. Salifoglou","Synthesis, pH-Dependent Structural Characterization, and Solution Behavior of Aqueous Aluminum and Gallium Citrate Complexes","Inorganic Chemistry","2001","40","","1734","1744","10.1021/ic000461l","","","1.5418","CuKα","","0.0277","0.025","","0.0661","0.064","","","","1.061","1.071","1.071","","","","","has coordinates","179274","2020-10-21","18:00:00","" "4319485","7.316","0.001","9.454","0.002","9.569","0.002","64.218","0.004","69.872","0.003","69.985","0.004","544.85","0.18","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C12 H17 Al K4 O18 -","- C12 H17 Al K4 O18 -","- C12 H17 Al K4 O18 -","1","0.5","","M. Matzapetakis; M. Kourgiantakis; M. Dakanali; C. P. Raptopoulou; A. Terzis; A. Lakatos; T. Kiss; I. Banyai; L. Iordanidis; T. Mavromoustakos; A. Salifoglou","Synthesis, pH-Dependent Structural Characterization, and Solution Behavior of Aqueous Aluminum and Gallium Citrate Complexes","Inorganic Chemistry","2001","40","","1734","1744","10.1021/ic000461l","","","0.71073","MoKα","","0.0607","0.0398","","0.0932","0.0873","","","","0.941","1.048","1.048","","","","","has coordinates","179274","2020-10-21","18:00:00","" "4319486","7.3242","0.0002","9.4363","0.0005","9.6435","0.0005","63.751","0.002","70.091","0.002","69.941","0.002","547.22","0.04","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C12 H17 Ga K4 O18 -","- C12 H17 Ga K4 O18 -","- C12 H17 Ga K4 O18 -","1","0.5","","M. Matzapetakis; M. Kourgiantakis; M. Dakanali; C. P. Raptopoulou; A. Terzis; A. Lakatos; T. Kiss; I. Banyai; L. Iordanidis; T. Mavromoustakos; A. Salifoglou","Synthesis, pH-Dependent Structural Characterization, and Solution Behavior of Aqueous Aluminum and Gallium Citrate Complexes","Inorganic Chemistry","2001","40","","1734","1744","10.1021/ic000461l","","","0.71073","MoKα","","0.0365","0.0267","","0.062","0.0604","","","","0.942","1.03","1.03","","","","","has coordinates","179274","2020-10-21","18:00:00","" "4319487","8.246","0.001","9.478","0.002","20.013","0.004","84.71","0.02","87.77","0.01","74.05","0.01","1497.4","0.5","153","2","153","2","","","","","","","","6","P -1","-P 1","2","","","","- C20 H34 Cu2 N4 O16 P2 -","- C20 H34 Cu2 N4 O16 P2 -","- C40 H68 Cu4 N8 O32 P4 -","2","1","","Paul E. Kruger; Robert P. Doyle; Miguel Julve; Francesc Lloret; Mark Nieuwenhuyzen","Structure and Magnetic Properties of a Pyrophosphate-Bridged Cu(II) Complex","Inorganic Chemistry","2001","40","","1726","1727","10.1021/ic000782x","","","0.71073","MoKα","","0.0631","0.0482","","0.1298","0.1171","","","","1.085","1.109","1.109","","","","","has coordinates","179274","2020-10-21","18:00:00","" "4319488","18.3616","0.0016","16.5003","0.0014","19.673","0.0017","90","","94.673","0.002","90","","5940.6","0.9","153","2","153","2","","","","","","","","7","P 1 2/n 1","-P 2yac","13","","Tetra(potassium([2.2.2]-cryptand)) tetra(/m2-maleonitrilediselenolato- tetrahedro-silver(I)","","- C88 H144 Ag4 K4 N16 O24 Se8 -","- C88 H144 Ag4 K4 N16 O24 Se8 -","- C176 H288 Ag8 K8 N32 O48 Se16 -","2","0.5","","Craig C. McLauchlan; James A. Ibers","Synthesis and Characterization of the Silver Maleonitrilediselenolates and Silver Maleonitriledithiolates [K([2.2.2]-cryptand)]4[Ag4(Se2C2(CN)2)4], [Na([2.2.2]-cryptand)]4[Ag4(S2C2(CN)2)4].0.33MeCN, [NBu4]4[Ag4(S2C2(CN)2)4], [K([2.2.2]-cryptand)]3[Ag(Se2C2(CN)2)2].2MeCN, and [Na([2.2.2]-cryptand)]3[Ag(S2C2(CN)2)2]","Inorganic Chemistry","2001","40","","1809","1815","10.1021/ic000868q","","","0.71073","MoKα","","0.1523","0.0764","","","0.1428","0.1547","","","","","","1.38","","","","has coordinates,has disorder","179274","2020-10-21","18:00:00","" "4319489","27.039","0.004","27.039","0.004","15.358","0.003","90","","90","","90","","11228","3","153","2","153","2","","","","","","","","7","P -4","P -4","81","","","","- C88.67 H145 Ag4 N16.33 Na4 O24 S8 -","- C88.67 H144 Ag4 N16.335 Na4 O24 S8 -","- C354.68 H576 Ag16 N65.34 Na16 O96 S32 -","4","1","","Craig C. McLauchlan; James A. Ibers","Synthesis and Characterization of the Silver Maleonitrilediselenolates and Silver Maleonitriledithiolates [K([2.2.2]-cryptand)]4[Ag4(Se2C2(CN)2)4], [Na([2.2.2]-cryptand)]4[Ag4(S2C2(CN)2)4].0.33MeCN, [NBu4]4[Ag4(S2C2(CN)2)4], [K([2.2.2]-cryptand)]3[Ag(Se2C2(CN)2)2].2MeCN, and [Na([2.2.2]-cryptand)]3[Ag(S2C2(CN)2)2]","Inorganic Chemistry","2001","40","","1809","1815","10.1021/ic000868q","","","0.71073","MoKα","","0.0635","0.0473","","","0.0984","0.1029","","","","","","1.69","","","","has coordinates","179274","2020-10-21","18:00:00","" "4319490","13.9974","0.001","21.8664","0.0016","28.2808","0.0017","90","","97.723","0.002","90","","8577.5","1","153","2","153","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","Tris(potassium[2.2.2]-cryptand) bis(maleonitrilediselenolato)silver(I)","Tris(potassium(4,7,13,16,21,24-Hexaoxa-1,10-diazabicyclo-[8.8.8]hexacosane)) bis(1,2-dicyano-1,2-Se-Se'-diselenato-ethylene)silver(I)","","- C66 H114 Ag K3 N12 O18 Se4 -","- C66 H114 Ag K3 N12 O18 Se4 -","- C264 H456 Ag4 K12 N48 O72 Se16 -","4","1","","Craig C. McLauchlan; James A. Ibers","Synthesis and Characterization of the Silver Maleonitrilediselenolates and Silver Maleonitriledithiolates [K([2.2.2]-cryptand)]4[Ag4(Se2C2(CN)2)4], [Na([2.2.2]-cryptand)]4[Ag4(S2C2(CN)2)4].0.33MeCN, [NBu4]4[Ag4(S2C2(CN)2)4], [K([2.2.2]-cryptand)]3[Ag(Se2C2(CN)2)2].2MeCN, and [Na([2.2.2]-cryptand)]3[Ag(S2C2(CN)2)2]","Inorganic Chemistry","2001","40","","1809","1815","10.1021/ic000868q","","","0.71073","MoKα","","0.0736","0.0356","","","0.0698","0.0776","","","","","","0.853","","","","has coordinates","179274","2020-10-21","18:00:00","" "4319491","11.547","0.002","11.766","0.002","27.774","0.006","90","","91.85","0.03","90","","3771.5","1.2","293","2","293","2","","","","","","","","7","P 1 2/n 1","-P 2yac","13","","","","- C62 H108 Ag N10 Na3 O18 S4 -","- C62 H108 Ag N10 Na3 O18 S4 -","- C124 H216 Ag2 N20 Na6 O36 S8 -","2","0.5","","Craig C. McLauchlan; James A. Ibers","Synthesis and Characterization of the Silver Maleonitrilediselenolates and Silver Maleonitriledithiolates [K([2.2.2]-cryptand)]4[Ag4(Se2C2(CN)2)4], [Na([2.2.2]-cryptand)]4[Ag4(S2C2(CN)2)4].0.33MeCN, [NBu4]4[Ag4(S2C2(CN)2)4], [K([2.2.2]-cryptand)]3[Ag(Se2C2(CN)2)2].2MeCN, and [Na([2.2.2]-cryptand)]3[Ag(S2C2(CN)2)2]","Inorganic Chemistry","2001","40","","1809","1815","10.1021/ic000868q","","","0.71073","MoKα","","0.1333","0.0813","","","0.1591","0.1668","","","","","","1.538","","","","has coordinates,has disorder","179274","2020-10-21","18:00:00","" "4319492","12.211","0.002","16.086","0.003","15.158","0.003","90","","107.05","0.03","90","","2846.6","1","154","2","154","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","Bis(potassium([2.2.2]-cryptand)) bis(maleonitrilediselenolato)copper(II)","","","- C44 H72 Cu K2 N8 O12 Se4 -","- C44 H72 Cu K2 N8 O12 Se4 -","- C88 H144 Cu2 K4 N16 O24 Se8 -","2","0.5","","Craig C. McLauchlan; James A. Ibers","Synthesis and Characterization of the Silver Maleonitrilediselenolates and Silver Maleonitriledithiolates [K([2.2.2]-cryptand)]4[Ag4(Se2C2(CN)2)4], [Na([2.2.2]-cryptand)]4[Ag4(S2C2(CN)2)4].0.33MeCN, [NBu4]4[Ag4(S2C2(CN)2)4], [K([2.2.2]-cryptand)]3[Ag(Se2C2(CN)2)2].2MeCN, and [Na([2.2.2]-cryptand)]3[Ag(S2C2(CN)2)2]","Inorganic Chemistry","2001","40","","1809","1815","10.1021/ic000868q","","","0.71073","MoKα","","0.0521","0.0351","","","0.0766","0.0803","","","","","","1.312","","","","has coordinates","179274","2020-10-21","18:00:00","" "4319493","15.689","0.003","51.924","0.011","17.393","0.004","90","","93.511","0.004","90","","14142","5","153","2","153","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","136 C dec","","","- C80 H144 Ag4 N12 S8 -","- C80 H142.667 Ag4 N12 S8 -","- C480 H856 Ag24 N72 S48 -","6","1.5","","Craig C. McLauchlan; James A. Ibers","Synthesis and Characterization of the Silver Maleonitrilediselenolates and Silver Maleonitriledithiolates [K([2.2.2]-cryptand)]4[Ag4(Se2C2(CN)2)4], [Na([2.2.2]-cryptand)]4[Ag4(S2C2(CN)2)4].0.33MeCN, [NBu4]4[Ag4(S2C2(CN)2)4], [K([2.2.2]-cryptand)]3[Ag(Se2C2(CN)2)2].2MeCN, and [Na([2.2.2]-cryptand)]3[Ag(S2C2(CN)2)2]","Inorganic Chemistry","2001","40","","1809","1815","10.1021/ic000868q","","","0.71073","MoKα","","0.1257","0.082","","","0.1531","0.1605","","","","","","1.739","","","","has coordinates,has disorder","179274","2020-10-21","18:00:00","" "4319494","10.235","0.001","16.802","0.002","17.075","0.002","90","","101.05","0.01","90","","2881.9","0.6","221","1","221","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C30 H36 N2 P2 Si -","- C30 H36 N2 P2 Si -","- C120 H144 N8 P8 Si4 -","4","1","","Maravanji S. Balakrishna; S. Teipel; A. Alan Pinkerton; Ronald G. Cavell","New Silylated Iminophosphorano(amino)phosphines Me3SiNPPh2N(R)PPh2 (R = Et, nPr, nBu). Crystal and Molecular Structure of Trimethylsilyliminophosphorano(propylamino)diphenylphosphine Me3SiNPPh2N(nPr)PPh2. Further Oxidative Derivatization with S, Se, and Azides, Titanium(IV) Transmetalation of the Imine, and Syntheses of Rhodium(I), Palladium(II), and Platinum(II) Complexes of These Iminophosphorano(amino)phosphines","Inorganic Chemistry","2001","40","","1802","1808","10.1021/ic000878r","","","0.71073","MoKα","","","0.044","","","0.054","","","","","","","1.42","","","","has coordinates","201982","2020-10-21","18:00:00","" "4319495","12.435","0.002","15.383","0.003","16.053","0.003","65.95","0.03","72.08","0.03","74.22","0.03","2629.9","1.1","213","2","213","2","","","","","","","","5","P -1","-P 1","2","[Fe2(HPTB)(OCH3)(ONO2)2](NO3)2*4.5CH3OH","(mu-N,N,N',N'-tetrakis(2-benzimidazolylmethyl)-2-hydroxy-1,3-diaminopropane) -(mu-methoxo)-bis(nitrato-O)di-iron(iii) dinitrate penta methanol solvent","","- C40.5 H54 Fe2 N14 O18.5 -","- C40.5 H54 Fe2 N14 O18.5 -","- C81 H108 Fe4 N28 O37 -","2","1","","Lars Westerheide; Felizitas K. Müller; Roberto Than; Bernt Krebs; Jens Dietrich; Siegfried Schindler","Syntheses and Structural Characterization of Dinuclear and Tetranuclear Iron(III) Complexes with Dinucleating Ligands and Their Reactions with Hydrogen Peroxide","Inorganic Chemistry","2001","40","","1951","1961","10.1021/ic0009371","","","0.71073","MoKα","","0.1299","0.0725","","","0.1617","0.1887","","","","","","1.046","","","","has coordinates","176467","2020-10-21","18:00:00","" "4319496","23.171","0.005","20.686","0.004","23.59","0.005","90","","90","","90","","11307","4","213","2","213","2","","","","","","","","6","P c a 21","P 2c -2ac","29","[Fe2(HPTB)(OH)(O2CC6H5)2](ClO4)2*4.5H2O","(mu-N,N,N',N'-tetrakis(2-benzimidazolylmethyl)-2-hydroxy-1,3-diaminopropane) -bis(benzoyloxy-O)-(mu-hydroxo)-di-iron(iii) diperchlorate pentahydrate","","- C49 H53 Cl2 Fe2 N10 O18.5 -","- C49 H43 Cl2 Fe2 N10 O18.5 -","- C392 H344 Cl16 Fe16 N80 O148 -","8","2","","Lars Westerheide; Felizitas K. Müller; Roberto Than; Bernt Krebs; Jens Dietrich; Siegfried Schindler","Syntheses and Structural Characterization of Dinuclear and Tetranuclear Iron(III) Complexes with Dinucleating Ligands and Their Reactions with Hydrogen Peroxide","Inorganic Chemistry","2001","40","","1951","1961","10.1021/ic0009371","","","0.71073","MoKα","","0.0875","0.0632","","","0.1505","0.1686","","","","","","1.02","","","","has coordinates","176467","2020-10-21","18:00:00","" "4319497","14.768","0.003","15.249","0.003","16.264","0.003","69.69","0.03","70.56","0.03","70.26","0.03","3135.1","1.3","213","2","213","2","","","","","","","","6","P -1","-P 1","2","[Fe2(N-Et-OH-HPTB)(OH)(ONO2)2](NO3)(ClO4)*3CH3OH*1.5H2O","(mu-N,N,N',N'-tetrakis((N''-2-hydroxoethyl)-2-benzimidazolylmethyl)-2-hydroxy -1,3-diaminopropane)-(mu-hydroxo)-bis(nitrato-O)-di-iron(iii) nitrate perchlorate tris methanol solvent dihydrate","","- C46 H65 Cl Fe2 N13 O23.5 -","- C46 H54 Cl Fe2 N13 O23.5 -","- C92 H108 Cl2 Fe4 N26 O47 -","2","1","","Lars Westerheide; Felizitas K. Müller; Roberto Than; Bernt Krebs; Jens Dietrich; Siegfried Schindler","Syntheses and Structural Characterization of Dinuclear and Tetranuclear Iron(III) Complexes with Dinucleating Ligands and Their Reactions with Hydrogen Peroxide","Inorganic Chemistry","2001","40","","1951","1961","10.1021/ic0009371","","","0.71073","MoKα","","0.1025","0.0677","","","0.1798","0.2056","","","","","","1.021","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00","" "4319498","11.367","0.002","16.107","0.003","20.197","0.004","70.27","0.03","76.7","0.03","70.57","0.03","3253.5","1.3","213","2","213","2","","","","","","","","6","P -1","-P 1","2","[Fe2(5,6-Me2-HPTB)(OH)(NO3)2](NO3)(ClO4)*3.5CH3OH*C2H5OC2H5*0.5H2O","(mu-N,N,N',N'-tetrakis((5,6-dimethyl)2-benzimidazolylmethyl)-2-hydroxy -1,3-diaminopropane)-(mu-hydroxo)-bis(nitrato-O)-di-iron(iii) nitrate perchlorate tetra methanol diethylether solvate hydrate","","- C50.5 H75 Cl Fe2 N13 O20 -","- C50.5 H73 Cl Fe2 N13 O20 -","- C101 H146 Cl2 Fe4 N26 O40 -","2","1","","Lars Westerheide; Felizitas K. Müller; Roberto Than; Bernt Krebs; Jens Dietrich; Siegfried Schindler","Syntheses and Structural Characterization of Dinuclear and Tetranuclear Iron(III) Complexes with Dinucleating Ligands and Their Reactions with Hydrogen Peroxide","Inorganic Chemistry","2001","40","","1951","1961","10.1021/ic0009371","","","0.71073","MoKα","","0.0977","0.0634","","","0.1532","0.1706","","","","","","1.035","","","","has coordinates","176467","2020-10-21","18:00:00","" "4319499","14.62","0.003","14.851","0.003","22.141","0.004","84.49","0.03","79.66","0.03","88.32","0.03","4707","1.7","170","2","170","2","","","","","","","","7","P -1","-P 1","2","[Fe4(HPTB)2(OH)4(F)2](ClO4)4*CH3CN*C2H5OC2H5*H2O","bis(mu-Fluoro)-bis(mu-N,N,N',N'-tetrakis(2-benzimidazolylmethyl)-2-hydroxy- 1,3-diaminopropane)-tetrahydroxo-tetra-iron(iii) tetraperchlorate acetonitrile diethyl ether solvate monohydrate","","- C76 H85 Cl4 F2 Fe4 N21 O24 -","- C76 H70 Cl4 F2 Fe4 N21 O24 -","- C152 H140 Cl8 F4 Fe8 N42 O48 -","2","1","","Lars Westerheide; Felizitas K. Müller; Roberto Than; Bernt Krebs; Jens Dietrich; Siegfried Schindler","Syntheses and Structural Characterization of Dinuclear and Tetranuclear Iron(III) Complexes with Dinucleating Ligands and Their Reactions with Hydrogen Peroxide","Inorganic Chemistry","2001","40","","1951","1961","10.1021/ic0009371","","","0.71073","MoKα","","0.1618","0.0749","","","0.2003","0.2332","","","","","","0.929","","","","has coordinates,has disorder","179274","2020-10-21","18:00:00","" "4319500","7.483","0.001","23.615","0.004","16.413","0.005","90","","95.903","0.008","90","","2885","1.1","293","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C29 H30 N6 O4 Pd -","- C29 H30 N6 O4 Pd -","- C116 H120 N24 O16 Pd4 -","4","1","","Riccardo F. Carina; Alan F. Williams; Gérald Bernardinelli","Molecular Tricorns: Self-Assembly of Trinuclear Palladium(II) Complexes","Inorganic Chemistry","2001","40","","1826","1832","10.1021/ic0009526","","","0.71073","MoKα","","","0.055","","","","0.046","","","","","","1.731","","","","has coordinates","176467","2020-10-21","18:00:00","" "4319501","22.328","0.005","44.099","0.009","12.287","0.003","90","","90","","90","","12098","5","93","2","93","2","","","","","","","","6","P 21 21 2","P 2 2ab","18","","","","- C48 H109 N3 O11.5 Se V3 -","- C48 H108 N3 O11.5 Se V3 -","- C384 H864 N24 O92 Se8 V24 -","8","2","","H. Nakano; T. Ozeki; A. Yagasaki","Synthesis and Structural Characterization of a New Series of Vanadoselenites, [SexV4-xO12-x](4-x)- (x = 1, 2)","Inorganic Chemistry","2001","40","","1816","1819","10.1021/ic0010508","","","0.71073","MoKα","","0.1805","0.121","","","0.3239","0.3575","","","","","","1.029","","","","has coordinates","176467","2020-10-21","18:00:00","" "4319502","12.2931","0.0003","13.5101","0.0003","20.9793","0.0005","90","","106.307","0.001","90","","3344.09","0.14","293","2","293","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C36 H30 N O5 P2 Se V -","- C36 H30 N O5 P2 Se V -","- C144 H120 N4 O20 P8 Se4 V4 -","4","1","","H. Nakano; T. Ozeki; A. Yagasaki","Synthesis and Structural Characterization of a New Series of Vanadoselenites, [SexV4-xO12-x](4-x)- (x = 1, 2)","Inorganic Chemistry","2001","40","","1816","1819","10.1021/ic0010508","","","0.71073","MoKα","","0.0659","0.0367","","","0.0799","0.0903","","","","","","0.994","","","","has coordinates","179275","2020-10-21","18:00:00","" "4319503","21.2592","0.0004","4.0418","0.0001","28.1718","0.0003","90","","90","","90","","2420.67","0.08","296","2","296","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- Bi5.91 La2.1 Pb2 S14 -","- Bi6.085 La2.096 Pb1.819 S14 -","- Bi24.34 La8.384 Pb7.276 S56 -","4","0.5","","Lykourgos Iordanidis; Mercouri G. Kanatzidis","Novel Quaternary Lanthanum Bismuth Sulfides Pb2LaxBi8-xS14, Sr2LaxBi8-xS14, and Cs2LaxBi10-xS16 with Complex Structures","Inorganic Chemistry","2001","40","","1878","1887","10.1021/ic001157v","","","0.71073","MoKα","","0.0786","0.0465","","","0.0785","0.0864","","","","","","1.036","","","","has coordinates","288183","2023-12-08","14:42:59","" "4319504","21.1899","0.0011","4.0417","0.0002","28.285","0.0015","90","","90","","90","","2422.4","0.2","298","2","298","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- Bi5.42 La2.56 S14 Sr2 -","- Bi5.421 La2.577 S14 Sr2 -","- Bi21.684 La10.308 S56 Sr8 -","4","0.5","","Lykourgos Iordanidis; Mercouri G. Kanatzidis","Novel Quaternary Lanthanum Bismuth Sulfides Pb2LaxBi8-xS14, Sr2LaxBi8-xS14, and Cs2LaxBi10-xS16 with Complex Structures","Inorganic Chemistry","2001","40","","1878","1887","10.1021/ic001157v","","","0.71073","MoKα","","0.0456","0.0334","","","0.0633","0.0668","","","","","","1.097","","","","has coordinates","288183","2023-12-08","14:42:59","" "4319505","34.893","0.004","4.0697","0.0004","21.508","0.002","90","","90","","90","","3054.2","0.5","296","2","296","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- Bi8.82 Cs2 La1.18 S16 -","- Bi8.815 Cs2 La1.185 S16 -","- Bi35.26 Cs8 La4.74 S64 -","4","0.5","","Lykourgos Iordanidis; Mercouri G. Kanatzidis","Novel Quaternary Lanthanum Bismuth Sulfides Pb2LaxBi8-xS14, Sr2LaxBi8-xS14, and Cs2LaxBi10-xS16 with Complex Structures","Inorganic Chemistry","2001","40","","1878","1887","10.1021/ic001157v","","","0.71073","MoKα","","0.1226","0.0497","","","0.0664","0.0782","","","","","","0.872","","","","has coordinates","288183","2023-12-08","14:42:59","" "4319506","12.479","0.006","21.782","0.007","17.048","0.005","90","","100.3","0.03","90","","4559","3","170","2","170","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C34 H72 N4 P Pt S2 -","- C34 H72 N4 P4 Pt S2 -","- C136 H288 N16 P16 Pt4 S8 -","4","1","","Tristram Chivers; Chantall Fedorchuk; Mark Krahn; Masood Parvez; Gabriele Schatte","Preparation and X-ray Structures of Cu(I), Ni(II), and Pd(II) (N,S) Complexes of the Monoanion [(tBuN)(S)P(μ-NtBu)2P(S)(NHtBu)]- and a Pt(II) (S,S') Complex of the Dianion [(tBuN)(S)P(μ-NtBu)2P(S)(NtBu)]2-","Inorganic Chemistry","2001","40","","1936","1942","10.1021/ic001173s","","","0.71069","MoKα","","0.1361","0.0587","","","0.1514","0.1968","","","","","","1.063","","","","has coordinates","176467","2020-10-21","18:00:00","" "4319507","19.175","0.004","20.331","0.004","10.017","0.006","90","","91.79","0.03","90","","3903","3","170","2","170","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C34 H52 Cu N4 P3 S2 -","- C34 H52 Cu N4 P3 S2 -","- C136 H208 Cu4 N16 P12 S8 -","4","1","","Tristram Chivers; Chantall Fedorchuk; Mark Krahn; Masood Parvez; Gabriele Schatte","Preparation and X-ray Structures of Cu(I), Ni(II), and Pd(II) (N,S) Complexes of the Monoanion [(tBuN)(S)P(μ-NtBu)2P(S)(NHtBu)]- and a Pt(II) (S,S') Complex of the Dianion [(tBuN)(S)P(μ-NtBu)2P(S)(NtBu)]2-","Inorganic Chemistry","2001","40","","1936","1942","10.1021/ic001173s","","","0.71069","MoKα","","0.1542","0.0736","","","0.2048","0.3044","","","","","","1.034","","","","has coordinates","179275","2020-10-21","18:00:00","" "4319508","14.298","0.005","15.333","0.005","24.378","0.005","90","","90","","90","","5344","3","193","2","193","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C39 H82 N8 Ni P4 S4 -","- C19.5 H40.5 N4 Ni0.5 P2 S2 -","- C156 H324 N32 Ni4 P16 S16 -","8","1","","Tristram Chivers; Chantall Fedorchuk; Mark Krahn; Masood Parvez; Gabriele Schatte","Preparation and X-ray Structures of Cu(I), Ni(II), and Pd(II) (N,S) Complexes of the Monoanion [(tBuN)(S)P(μ-NtBu)2P(S)(NHtBu)]- and a Pt(II) (S,S') Complex of the Dianion [(tBuN)(S)P(μ-NtBu)2P(S)(NtBu)]2-","Inorganic Chemistry","2001","40","","1936","1942","10.1021/ic001173s","","","0.71069","MoKα","","0.0657","0.0371","","","0.0839","0.0933","","","","","","0.943","","","","has coordinates","179275","2020-10-21","18:00:00","" "4319509","13.975","0.003","14.283","0.003","15.255","0.004","90","","116.565","0.018","90","","2723.5","1.2","170","2","170","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C39 H82 N8 P4 Pd S4 -","- C39 H82 N8 P4 Pd S4 -","- C78 H164 N16 P8 Pd2 S8 -","2","0.5","","Tristram Chivers; Chantall Fedorchuk; Mark Krahn; Masood Parvez; Gabriele Schatte","Preparation and X-ray Structures of Cu(I), Ni(II), and Pd(II) (N,S) Complexes of the Monoanion [(tBuN)(S)P(μ-NtBu)2P(S)(NHtBu)]- and a Pt(II) (S,S') Complex of the Dianion [(tBuN)(S)P(μ-NtBu)2P(S)(NtBu)]2-","Inorganic Chemistry","2001","40","","1936","1942","10.1021/ic001173s","","","0.71069","MoKα","","0.1187","0.0473","","","0.1127","0.1473","","","","","","1.041","","","","has coordinates","179275","2020-10-21","18:00:00","" "4319510","7.752","0.003","12.568","0.004","7.593","0.003","90","","90","","90","","739.8","0.5","170","2","170","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C4 H6 Cl Li N2 -","- C4 H6 Cl Li N2 -","- C16 H24 Cl4 Li4 N8 -","4","1","","Tristram Chivers; Andrew Downard; Masood Parvez; Gabriele Schatte","The Many Guises of Lithium Chloride: Crystal Structure of the Single-Strand Polymer {LiCl.2MeCN}\ιnfty","Inorganic Chemistry","2001","40","","1975","1977","10.1021/ic001175c","","","0.71069","MoKα","","0.053","0.0285","","","0.0747","0.0859","","","","","","1.034","","","","has coordinates","179275","2020-10-21","18:00:00","" "4319511","9.491","0.001","11.604","0.002","13.231","0.002","73.58","0.008","90.034","0.008","70","0.007","1305.8","0.3","161","2","161","2","","","","","","","","8","P -1","-P 1","2","TpOs(NHPh)(OTf)2","","","- C17 H16 B F6 N7 O6 Os S2 -","- C17 H16 B F6 N7 O6 Os S2 -","- C34 H32 B2 F12 N14 O12 Os2 S4 -","2","1","","Jake D. Soper; Brian K. Bennett; Scott Lovell; James M. Mayer","Protonation and Deprotonation of TpOs(NHPh)Cl2: An Unusually Inert Amido Ligand","Inorganic Chemistry","2001","40","","1888","1893","10.1021/ic001177x","","","0.7107","MoKα","","0.1388","0.0561","","","0.1035","0.1258","","","","","","0.874","","","","has coordinates","179275","2020-10-21","18:00:00","" "4319512","22.4553","0.0009","11.1536","0.0003","15.8909","0.0006","90","","129.716","0.0013","90","","3061.5","0.2","223","","223","","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C58 H44 Cl14 Fe P2 Re2 -","- C58 H44 Cl14 Fe P2 Re2 -","- C116 H88 Cl28 Fe2 P4 Re4 -","2","0.5","","N. Dastagiri Reddy; Phillip E. Fanwick; Richard A. Walton","An Intramolecular Disproportionation Reaction Leading to the Formation of the Quadruply Bonded Complex Cl4ReReCl2(dppf) (dppf = 1,1'-Bis(diphenylphosphino)ferrocene). An Example of the Missing 1,3-Re2Cl6(PR3)2 Isomer","Inorganic Chemistry","2001","40","","1732","1733","10.1021/ic0011819","","","0.71073","MO-Kα","","","0.053","","","","0.134","","","","","","1.092","","","","has coordinates","179275","2020-10-21","18:00:00","" "4319513","16.3808","0.0003","15.1447","0.0003","13.9479","0.0003","90","","90","","90","","3460.23","0.12","150","","150","","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C34 H28 Cl6 Fe P2 Re2 -","- C34 H28 Cl6 Fe P2 Re2 -","- C136 H112 Cl24 Fe4 P8 Re8 -","4","1","","N. Dastagiri Reddy; Phillip E. Fanwick; Richard A. Walton","An Intramolecular Disproportionation Reaction Leading to the Formation of the Quadruply Bonded Complex Cl4ReReCl2(dppf) (dppf = 1,1'-Bis(diphenylphosphino)ferrocene). An Example of the Missing 1,3-Re2Cl6(PR3)2 Isomer","Inorganic Chemistry","2001","40","","1732","1733","10.1021/ic0011819","","","0.71073","MO-Kα","","","0.036","","","","0.081","","","","","","1.037","","","","has coordinates","176467","2020-10-21","18:00:00","" "4319514","11.5727","0.001","16.458","0.002","5.5245","0.0005","90","","90","","90","","1052.22","0.18","293","0.2","293","0.2","","","","","","","","3","A b m 2","A 2 -2b","39","","","","- Bi2 O5 Te -","- Bi2 O5 Te -","- Bi16 O40 Te8 -","8","","","Kang Min Ok; N. S. P. Bhuvanesh; P. Shiv Halasyamani","Bi2TeO5: Synthesis, Structure, and Powder Second Harmonic Generation Properties","Inorganic Chemistry","2001","40","","1978","1980","10.1021/ic001224l","","","0.71073","MoKα","","0.0513","0.0481","","0.1436","0.1411","","","","1.038","1.059","1.059","","","","","has coordinates","179275","2020-10-21","18:00:00","" "4319515","7.6639","0.0003","6.5804","0.0002","12.8426","0.0005","90","","91.565","0.002","90","","647.43","0.04","200","1","200","1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Potassium Methyl-Trithiocarbonate","","","- C2 H3 K S3 -","- C2 H3 K S3 -","- C8 H12 K4 S12 -","4","1","","Dirk Stueber; Atta M. Arif; David M. Grant; Robert W. Parry","Carbonates, Thiocarbonates, and the Corresponding Monoalkyl Derivatives. 2. X-ray Crystal Structure of Potassium Methyltrithiocarbonate (KS2CSCH3)","Inorganic Chemistry","2001","40","","1912","1914","10.1021/ic001227y","","","0.71073","MoKα","","0.0433","0.0295","","","0.0634","0.0695","","","","","","1.04","","","","has coordinates","179275","2020-10-21","18:00:00","" "4319516","18.6314","0.0002","9.1926","0.0001","20.8006","0.0001","90","","106.176","0.002","90","","3421.5","0.06","293","2","293","2","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","","","- C40 H30 N5 P2 -","- C40 H30 N5 P2 -","- C160 H120 N20 P8 -","4","0.5","","Jamie L. Manson; Wayne E. Buschmann; Joel S. Miller","Tetracyanomanganate(II) and Its Salts of Divalent First-Row Transition Metal Ions","Inorganic Chemistry","2001","40","","1926","1935","10.1021/ic0012726","","","0.71073","MoKα","","0.0595","0.051","","","0.1427","0.1493","","","","","","1.016","","","","has coordinates","179275","2020-10-21","18:00:00","" "4319517","8.3605","0.0007","18.2233","0.0015","12.9522","0.001","90","","90","","90","","1973.3","0.3","173","2","173","2","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- C26 H17 N3 -","- C26 H17 N3 -","- C104 H68 N12 -","4","0.5","","Diwan S. Rawat; Pedro J. Benites; Christopher D. Incarvito; Arnold L. Rheingold; Jeffrey M. Zaleski","The Contribution of Ligand Flexibility to Metal Center Geometry Modulated Thermal Cyclization of Conjugated Pyridine and Quinoline Metalloenediynes of Copper(I) and Copper(II)","Inorganic Chemistry","2001","40","","1846","1857","10.1021/ic010014l","","","0.71073","MoKα","","0.0642","0.0385","","","0.0941","0.1024","","","","","","1.001","","","","has coordinates","179275","2020-10-21","18:00:00","" "4319518","11.3962","0.0001","21.7309","0.0003","19.6745","0.0002","90","","102.67","","90","","4753.74","0.09","173","2","173","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C30 H74 Cl Li N3 O3 Si6 Sm -","- C30 H56 Cl Li N3 O3 Si6 Sm -","- C120 H224 Cl4 Li4 N12 O12 Si24 Sm4 -","4","1","","Oliver Just; William S. Rees","Synthesis and Single-Crystal X-ray Diffraction Examination of a Structurally Homologous Series of Tetracoordinate Heteroleptic Anionic Lanthanide Complexes: Ln{N[Si(CH3)2CH2CH2Si(CH3)2]}3(μ-Cl)Li(L)3 [Ln = Sm, Eu, Gd, Tb, Dy, Ho, Er, Tm, Yb; (L)3= (THF)3, (Et2O)3, (THF)2(Et2O)]","Inorganic Chemistry","2001","40","","1751","1755","10.1021/ic9912023","","","0.71073","MoKα","","0.0526","0.0352","","","0.0812","0.0895","","","","","","1.059","","","","has coordinates","179275","2020-10-21","18:00:00","" "4319519","25.607","0.0005","17.4284","0.0004","21.2201","0.0005","90","","93.539","0.001","90","","9452.2","0.4","173","2","173","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C30 H72 Cl Eu Li N3 O3 Si6 -","- C30 H72 Cl Eu Li N3 O3 Si6 -","- C240 H576 Cl8 Eu8 Li8 N24 O24 Si48 -","8","2","","Oliver Just; William S. Rees","Synthesis and Single-Crystal X-ray Diffraction Examination of a Structurally Homologous Series of Tetracoordinate Heteroleptic Anionic Lanthanide Complexes: Ln{N[Si(CH3)2CH2CH2Si(CH3)2]}3(μ-Cl)Li(L)3 [Ln = Sm, Eu, Gd, Tb, Dy, Ho, Er, Tm, Yb; (L)3= (THF)3, (Et2O)3, (THF)2(Et2O)]","Inorganic Chemistry","2001","40","","1751","1755","10.1021/ic9912023","","","0.71073","MoKα","","0.0999","0.0495","","","0.1042","0.1256","","","","","","1.013","","","","has coordinates","179275","2020-10-21","18:00:00","" "4319520","11.4536","0.0003","21.7727","0.0005","19.7242","0.0005","90","","102.527","0.001","90","","4801.6","0.2","173","2","173","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C30 H74 Cl Gd Li N3 O3 Si6 -","- C30 H74 Cl Gd Li N3 O3 Si6 -","- C120 H296 Cl4 Gd4 Li4 N12 O12 Si24 -","4","1","","Oliver Just; William S. Rees","Synthesis and Single-Crystal X-ray Diffraction Examination of a Structurally Homologous Series of Tetracoordinate Heteroleptic Anionic Lanthanide Complexes: Ln{N[Si(CH3)2CH2CH2Si(CH3)2]}3(μ-Cl)Li(L)3 [Ln = Sm, Eu, Gd, Tb, Dy, Ho, Er, Tm, Yb; (L)3= (THF)3, (Et2O)3, (THF)2(Et2O)]","Inorganic Chemistry","2001","40","","1751","1755","10.1021/ic9912023","","","0.71073","MoKα","","0.0779","0.0368","","","0.0661","0.0768","","","","","","0.96","","","","has coordinates","179275","2020-10-21","18:00:00","" "4319521","25.6729","0.0004","17.4492","0.0002","21.2795","0.0003","90","","93.635","0.001","90","","9513.4","0.2","173","2","173","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C30 H72 Cl Li N3 O3 Si6 Tb -","- C30 H72 Cl Li N3 O3 Si6 Tb -","- C240 H576 Cl8 Li8 N24 O24 Si48 Tb8 -","8","2","","Oliver Just; William S. Rees","Synthesis and Single-Crystal X-ray Diffraction Examination of a Structurally Homologous Series of Tetracoordinate Heteroleptic Anionic Lanthanide Complexes: Ln{N[Si(CH3)2CH2CH2Si(CH3)2]}3(μ-Cl)Li(L)3 [Ln = Sm, Eu, Gd, Tb, Dy, Ho, Er, Tm, Yb; (L)3= (THF)3, (Et2O)3, (THF)2(Et2O)]","Inorganic Chemistry","2001","40","","1751","1755","10.1021/ic9912023","","","0.71073","MoKα","","0.0784","0.0506","","0.1525","0.1367","","","","1.064","1.178","1.178","","","","","has coordinates","179275","2020-10-21","18:00:00","" "4319522","12.7082","0.0001","20.7256","0.0001","18.8334","0.0001","90","","98.4","0.001","90","","4907.22","0.05","173","2","173","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C30 H78 Cl Dy Li N3 O3 Si6 -","- C30 H78 Cl Dy Li N3 O3 Si6 -","- C120 H312 Cl4 Dy4 Li4 N12 O12 Si24 -","4","1","","Oliver Just; William S. Rees","Synthesis and Single-Crystal X-ray Diffraction Examination of a Structurally Homologous Series of Tetracoordinate Heteroleptic Anionic Lanthanide Complexes: Ln{N[Si(CH3)2CH2CH2Si(CH3)2]}3(μ-Cl)Li(L)3 [Ln = Sm, Eu, Gd, Tb, Dy, Ho, Er, Tm, Yb; (L)3= (THF)3, (Et2O)3, (THF)2(Et2O)]","Inorganic Chemistry","2001","40","","1751","1755","10.1021/ic9912023","","","0.71073","MoKα","","0.037","0.0286","","","0.0717","0.0768","","","","","","1.035","","","","has coordinates","179275","2020-10-21","18:00:00","" "4319523","12.7352","0.0005","20.7721","0.0008","18.8634","0.0007","90","","98.348","0.001","90","","4937.2","0.3","173","2","173","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C30 H78 Cl Ho Li N3 O3 Si6 -","- C30 H78 Cl Ho Li N3 O3 Si6 -","- C120 H312 Cl4 Ho4 Li4 N12 O12 Si24 -","4","1","","Oliver Just; William S. Rees","Synthesis and Single-Crystal X-ray Diffraction Examination of a Structurally Homologous Series of Tetracoordinate Heteroleptic Anionic Lanthanide Complexes: Ln{N[Si(CH3)2CH2CH2Si(CH3)2]}3(μ-Cl)Li(L)3 [Ln = Sm, Eu, Gd, Tb, Dy, Ho, Er, Tm, Yb; (L)3= (THF)3, (Et2O)3, (THF)2(Et2O)]","Inorganic Chemistry","2001","40","","1751","1755","10.1021/ic9912023","","","0.71073","MoKα","","0.047","0.0326","","","0.081","0.0876","","","","","","1.027","","","","has coordinates","179275","2020-10-21","18:00:00","" "4319524","12.7","","20.7277","0.0003","18.7914","0.0003","90","","98.24","","90","","4895.61","0.11","173","2","173","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C30 H78 Cl Er Li N3 O3 Si6 -","- C30 H58 Cl Er Li N3 O3 Si6 -","- C120 H232 Cl4 Er4 Li4 N12 O12 Si24 -","4","1","","Oliver Just; William S. Rees","Synthesis and Single-Crystal X-ray Diffraction Examination of a Structurally Homologous Series of Tetracoordinate Heteroleptic Anionic Lanthanide Complexes: Ln{N[Si(CH3)2CH2CH2Si(CH3)2]}3(μ-Cl)Li(L)3 [Ln = Sm, Eu, Gd, Tb, Dy, Ho, Er, Tm, Yb; (L)3= (THF)3, (Et2O)3, (THF)2(Et2O)]","Inorganic Chemistry","2001","40","","1751","1755","10.1021/ic9912023","","","0.71073","MoKα","","0.0547","0.0318","","","0.0767","0.0852","","","","","","1.017","","","","has coordinates","179275","2020-10-21","18:00:00","" "4319525","12.6678","0.0014","20.66","0.003","18.744","0.002","90","","98.304","0.011","90","","4854.2","1","173","2","173","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C30 H72 Cl Li N3 O3 Si6 Tm -","- C30 H58 Cl Li N3 O3 Si6 Tm -","- C120 H232 Cl4 Li4 N12 O12 Si24 Tm4 -","4","1","","Oliver Just; William S. Rees","Synthesis and Single-Crystal X-ray Diffraction Examination of a Structurally Homologous Series of Tetracoordinate Heteroleptic Anionic Lanthanide Complexes: Ln{N[Si(CH3)2CH2CH2Si(CH3)2]}3(μ-Cl)Li(L)3 [Ln = Sm, Eu, Gd, Tb, Dy, Ho, Er, Tm, Yb; (L)3= (THF)3, (Et2O)3, (THF)2(Et2O)]","Inorganic Chemistry","2001","40","","1751","1755","10.1021/ic9912023","","","0.71073","MoKα","","0.0425","0.0269","","","0.0648","0.0702","","","","","","1.031","","","","has coordinates","179275","2020-10-21","18:00:00","" "4319526","12.6763","0.0002","20.6996","0.0003","18.7475","0.0002","90","","98.2","0.0004","90","","4868.94","0.12","173","2","173","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C30 H78 Cl Li N3 O3 Si6 Yb -","- C30 H68 Cl Li N3 O3 Si6 Yb -","- C120 H272 Cl4 Li4 N12 O12 Si24 Yb4 -","4","1","","Oliver Just; William S. Rees","Synthesis and Single-Crystal X-ray Diffraction Examination of a Structurally Homologous Series of Tetracoordinate Heteroleptic Anionic Lanthanide Complexes: Ln{N[Si(CH3)2CH2CH2Si(CH3)2]}3(μ-Cl)Li(L)3 [Ln = Sm, Eu, Gd, Tb, Dy, Ho, Er, Tm, Yb; (L)3= (THF)3, (Et2O)3, (THF)2(Et2O)]","Inorganic Chemistry","2001","40","","1751","1755","10.1021/ic9912023","","","0.71073","MoKα","","0.0527","0.0349","","","0.083","0.0919","","","","","","1.037","","","","has coordinates","179275","2020-10-21","18:00:00","" "4319527","6.222","0.0011","14.8034","0.0019","11.1229","0.0015","90","","95.877","0.013","90","","1019.1","0.3","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C24 H20 N6 Pd -","- C24 H20 N6 Pd -","- C48 H40 N12 Pd2 -","2","0.5","","Nilkamal Maiti; Satyanarayan Pal; Surajit Chattopadhyay","Reaction of 2-(Phenylazo)aniline with Na2PdCl4: Formation of a 2-(Phenylazo)imino Complex of Bivalent Palladium","Inorganic Chemistry","2001","40","","2204","2205","10.1021/ic000369p","","","0.71073","MoKα","","0.0385","0.0242","","","0.0646","0.0753","","","","","","1.095","","","","has coordinates","179275","2020-10-21","18:00:00","" "4319528","22.5326","0.0003","13.6794","0.0002","21.7134","0.0003","90","","107.174","0.0007","90","","6394.34","0.16","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C60 H64 F12 Ni O8 P6 -","- C60 H64 F12 Ni O8 P6 -","- C240 H256 F48 Ni4 O32 P24 -","4","0.5","","Ingrid M. Angulo; Elisabeth Bouwman; Martin Lutz; Wilhelmus P. Mul; Anthony L. Spek","Autoionization of Homogeneous Nickel(II) Diphosphane Hydrogenation Catalysts. An NMR Study and Crystal Structures of [Ni(o-MeO-dppe)I2] and [Ni(o-MeO-dppe)2](PF6)2","Inorganic Chemistry","2001","40","","2073","2082","10.1021/ic0006955","","","0.71073","MoKα","","0.04","0.034","","","0.0935","0.0974","","","","","","1.064","","","","has coordinates,has disorder","179275","2020-10-21","18:00:00","" "4319529","12.1309","0.0001","16.5759","0.0003","17.6474","0.0002","90","","119.325","0.001","90","","3093.82","0.08","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C30 H32 I2 Ni O4 P2 -","- C30 H32 I2 Ni O4 P2 -","- C120 H128 I8 Ni4 O16 P8 -","4","1","","Ingrid M. Angulo; Elisabeth Bouwman; Martin Lutz; Wilhelmus P. Mul; Anthony L. Spek","Autoionization of Homogeneous Nickel(II) Diphosphane Hydrogenation Catalysts. An NMR Study and Crystal Structures of [Ni(o-MeO-dppe)I2] and [Ni(o-MeO-dppe)2](PF6)2","Inorganic Chemistry","2001","40","","2073","2082","10.1021/ic0006955","","","0.71073","MoKα","","0.0362","0.0278","","","0.0672","0.0703","","","","","","1.019","","","","has coordinates","198633","2020-10-21","18:00:00","" "4319530","9.866","0.002","15.962","0.003","16.223","0.003","90","","90","","90","","2554.8","0.8","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C30 H22 N2 O4 Ti -","- C30 H23 N2 O4 Ti -","- C120 H92 N8 O16 Ti4 -","4","1","","Joseph M. Tanski; Peter T. Wolczanski","Covalent Titanium Aryldioxy One-, Two-, and Three-Dimensional Networks and Their Examination as Ziegler-Natta Catalysts","Inorganic Chemistry","2001","40","","2026","2033","10.1021/ic000763n","","","0.71073","MoKα","","0.2363","0.093","","0.3071","0.18","","","","1.167","1.236","1.236","","","","","has coordinates","179275","2020-10-21","18:00:00","" "4319531","10.814","0.002","16.785","0.003","18.02","0.004","93.88","0.03","107.31","0.03","108.77","0.03","2907.9","1.3","293","2","101","2","","","","","","","","5","P -1","-P 1","2","","","","- C70 H59 N5 O8 Ti2 -","- C70 H56 N5 O8 Ti2 -","- C140 H112 N10 O16 Ti4 -","2","1","","Joseph M. Tanski; Peter T. Wolczanski","Covalent Titanium Aryldioxy One-, Two-, and Three-Dimensional Networks and Their Examination as Ziegler-Natta Catalysts","Inorganic Chemistry","2001","40","","2026","2033","10.1021/ic000763n","","","0.909","synchrotron","","0.0728","0.0629","","","0.188","0.1975","","","","","","1.626","","","","has coordinates","179275","2020-10-21","18:00:00","" "4319532","19.0881","0.0003","21.4435","0.0003","26.0799","0.0001","90","","90","","90","","10674.9","0.2","296","2","296","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C64 H144 N4 O40 Si W12 -","- C62 N4 O40 Si W12 -","- C248 N16 O160 Si4 W48 -","4","1","","André Tézé; Emmanuel Cadot; Virginie Béreau; Gilbert Hervé","About the Keggin Isomers: Crystal Structure of [N(C4H9)4]4-γ-[SiW12O40], the γ-Isomer of the Keggin Ion. Synthesis and 183W NMR Characterization of the Mixed γ-[SiMo2W10O40]n- (n = 4 or 6)","Inorganic Chemistry","2001","40","","2000","2004","10.1021/ic000864l","","","0.71073","MoKα","","0.1293","0.0591","","0.1449","0.1162","","","","0.974","1.033","1.033","","","","","has coordinates","179275","2020-10-21","18:00:00","" "4319533","13.608","0.018","14.755","0.018","11.871","0.014","93.69","0.04","99.43","0.04","108.44","0.04","2213","5","123","2","123","2","","","","","","","","7","P -1","-P 1","2","","","","- C19 H18 F3 N2 O9 Re S -","- C19 H16 F3 N2 O9 Re S -","- C76 H64 F12 N8 O36 Re4 S4 -","4","2","","Joachin Arias; Craig R. Newlands; Mahdi M. Abu-Omar","Kinetics and Mechanisms of Catalytic Oxygen Atom Transfer with Oxorhenium(V) Oxazoline Complexes","Inorganic Chemistry","2001","40","","2185","2192","10.1021/ic000917z","","","0.71073","MoKα","","0.0786","0.0455","","0.123","0.1055","","","","1.038","1.076","1.076","","","","","has coordinates","179275","2020-10-21","18:00:00","" "4319534","12.448","0.004","12.773","0.004","17.27","0.004","100.16","0.02","99.93","0.02","114.11","0.03","2373.9","1.4","296.2","","296.2","","","","","","","","","7","P -1","-P 1","2","","","","- C51 H50 Cl2 P2 Ru2 S2 Ti -","- C51 H50 Cl2 P2 Ru2 S2 Ti -","- C102 H100 Cl4 P4 Ru4 S4 Ti2 -","2","1","","Shigeki Kuwata; Shin-ichiro Kabashima; Nobuyuki Sugiyama; Youichi Ishii; Masanobu Hidai","Synthesis of TiRu2 Heterobimetallic and TiRuM (M = Rh, Ir, Pd, Pt) Heterotrimetallic Sulfido Clusters from a Hydrosulfido-Bridged Titanium-Ruthenium Complex","Inorganic Chemistry","2001","40","","2034","2040","10.1021/ic0009324","","","0.7107","MoKα","","0.0453","0.0453","","","0.0444","0.0444","","","","","","1.443","","","","has coordinates","176467","2020-10-21","18:00:00","" "4319535","7.714","0.002","11.598","0.003","14.802","0.004","80.46","0.02","82.53","0.02","71.47","0.02","1234","0.6","294.2","","294.2","","","","","","","","","7","P -1","-P 1","2","","","","- C23 H32 Cl Rh Ru S2 Ti -","- C23 H17 Cl Rh Ru S2 Ti -","- C46 H34 Cl2 Rh2 Ru2 S4 Ti2 -","2","1","","Shigeki Kuwata; Shin-ichiro Kabashima; Nobuyuki Sugiyama; Youichi Ishii; Masanobu Hidai","Synthesis of TiRu2 Heterobimetallic and TiRuM (M = Rh, Ir, Pd, Pt) Heterotrimetallic Sulfido Clusters from a Hydrosulfido-Bridged Titanium-Ruthenium Complex","Inorganic Chemistry","2001","40","","2034","2040","10.1021/ic0009324","","","0.7107","MoKα","","0.0422","0.0422","","","0.0543","0.0543","","","","","","2.134","","","","has coordinates","176467","2020-10-21","18:00:00","" "4319536","7.729","0.001","11.577","0.002","14.766","0.003","80.14","0.01","82.71","0.01","71.55","0.01","1231.1","0.4","296.2","","296.2","","","","","","","","","7","P -1","-P 1","2","","","","- C23 H32 Cl Ir Ru S2 Ti -","- C23 H17 Cl Ir Ru S2 Ti -","- C46 H34 Cl2 Ir2 Ru2 S4 Ti2 -","2","1","","Shigeki Kuwata; Shin-ichiro Kabashima; Nobuyuki Sugiyama; Youichi Ishii; Masanobu Hidai","Synthesis of TiRu2 Heterobimetallic and TiRuM (M = Rh, Ir, Pd, Pt) Heterotrimetallic Sulfido Clusters from a Hydrosulfido-Bridged Titanium-Ruthenium Complex","Inorganic Chemistry","2001","40","","2034","2040","10.1021/ic0009324","","","0.7107","MoKα","","0.038","0.038","","","0.053","0.053","","","","","","2.358","","","","has coordinates","176467","2020-10-21","18:00:00","" "4319537","11.259","0.004","16.438","0.004","26.092","0.005","90","","102.23","0.03","90","","4719","2","296.2","","296.2","","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C51 H51 Cl P2 Pd Ru S2 Ti -","- C51 H36 Cl P2 Pd Ru S2 Ti -","- C204 H144 Cl4 P8 Pd4 Ru4 S8 Ti4 -","4","1","","Shigeki Kuwata; Shin-ichiro Kabashima; Nobuyuki Sugiyama; Youichi Ishii; Masanobu Hidai","Synthesis of TiRu2 Heterobimetallic and TiRuM (M = Rh, Ir, Pd, Pt) Heterotrimetallic Sulfido Clusters from a Hydrosulfido-Bridged Titanium-Ruthenium Complex","Inorganic Chemistry","2001","40","","2034","2040","10.1021/ic0009324","","","0.7107","MoKα","","0.0416","0.0416","","","0.0461","0.0461","","","","","","2.17","","","","has coordinates","176467","2020-10-21","18:00:00","" "4319538","11.369","0.002","16.207","0.003","26.116","0.002","90","","102.29","0.01","90","","4701.8","1.3","296.2","","296.2","","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C51 H51 Cl P2 Pt Ru S2 Ti -","- C51 H36 Cl P2 Pt Ru S2 Ti -","- C204 H144 Cl4 P8 Pt4 Ru4 S8 Ti4 -","4","1","","Shigeki Kuwata; Shin-ichiro Kabashima; Nobuyuki Sugiyama; Youichi Ishii; Masanobu Hidai","Synthesis of TiRu2 Heterobimetallic and TiRuM (M = Rh, Ir, Pd, Pt) Heterotrimetallic Sulfido Clusters from a Hydrosulfido-Bridged Titanium-Ruthenium Complex","Inorganic Chemistry","2001","40","","2034","2040","10.1021/ic0009324","","","0.7107","MoKα","","0.0504","0.0504","","","0.0537","0.0537","","","","","","1.929","","","","has coordinates","176467","2020-10-21","18:00:00","" "4319539","15.927","0.002","16.311","0.002","8.8513","0.0009","90","","90","","90","","2299.4","0.5","153.2","","296.2","","","","","","","","hydro(solvato)thermal synthesis","6","P n a 21","P 2c -2n","33","","","","- C20 H20 Cr2 Cu N4 O7 -","- C20 H20 Cr2 Cu N4 O7 -","- C80 H80 Cr8 Cu4 N16 O28 -","4","1","","Alexander J. Norquist; Kevin R. Heier; P. Shiv Halasyamani; Charlotte L. Stern; Kenneth R. Poeppelmeier","Polar Compounds Constructed with the [Cr2O7]2- Anion","Inorganic Chemistry","2001","40","","2015","2019","10.1021/ic000953y","","","0.7107","MoKα","","0.0322","0.032","","0.034","","0.034","","","2.768","","","2.77","","","","has coordinates","176467","2020-10-21","18:00:00","" "4319540","16.503","0.001","16.005","0.001","8.813","0.0005","90","","90","","90","","2327.8","0.2","296.2","","296.2","","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C20 H20 Cr2 N4 O7 Zn -","- C20 H20 Cr2 N4 O7 Zn -","- C80 H80 Cr8 N16 O28 Zn4 -","4","1","","Alexander J. Norquist; Kevin R. Heier; P. Shiv Halasyamani; Charlotte L. Stern; Kenneth R. Poeppelmeier","Polar Compounds Constructed with the [Cr2O7]2- Anion","Inorganic Chemistry","2001","40","","2015","2019","10.1021/ic000953y","","","0.7107","MoKα","","0.0389","0.039","","0.032","","0.032","","","1.555","","","1.55","","","","has coordinates","176467","2020-10-21","18:00:00","" "4319541","17.389","0.005","5.918","0.005","22.496","0.005","90","0.005","108.69","0.005","90","0.005","2193","2","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C16 H42 Al2 N4 -","- C16 H42 Al2 N4 -","- C64 H168 Al8 N16 -","4","0.5","","Werner Uhl; Jens Molter; Bernhard Neumüller","Dialkylaluminum Hydrazides Derived from Free Hydrazine N2H4. Molecular Structures of [(Me3C)2AlN2H3]2 and [(Me3C)2Al]4(N2H2)2","Inorganic Chemistry","2001","40","","2011","2014","10.1021/ic000969o","","","0.71069","MoKα","","0.0634","0.0508","","","0.1443","0.1599","","","","","","1.053","","","","has coordinates","192782","2020-10-21","18:00:00","" "4319542","9.408","0.001","10.826","0.001","11.694","0.001","82.25","0.001","69.57","0.001","71.77","0.001","1059.67","0.17","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C32 H76 Al4 N4 -","- C32 H76 Al4 N4 -","- C32 H76 Al4 N4 -","1","0.5","","Werner Uhl; Jens Molter; Bernhard Neumüller","Dialkylaluminum Hydrazides Derived from Free Hydrazine N2H4. Molecular Structures of [(Me3C)2AlN2H3]2 and [(Me3C)2Al]4(N2H2)2","Inorganic Chemistry","2001","40","","2011","2014","10.1021/ic000969o","","","0.71069","MoKα","","0.0784","0.053","","","0.1347","0.1518","","","","","","1.017","","","","has coordinates,has disorder","192782","2020-10-21","18:00:00","" "4319543","19.259","0.0005","16.9889","0.0005","22.5659","0.0006","90","","90","","90","","7383.3","0.4","173","2","173","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C42 H36 O2 P2 Pd S2 -","- C42 H36 O2 P2 Pd S2 -","- C336 H288 O16 P16 Pd8 S16 -","8","1","","José Vicente; María Teresa Chicote; Sonia Huertas; Delia Bautista; Peter G. Jones; Axel K. Fischer","Mononuclear (Pd, Pt), Heterodinuclear (PdAg, PtAg), and Tetranuclear (Pd2Ag2, Pt2Ag2) 1,1-Ethylenedithiolato Complexes","Inorganic Chemistry","2001","40","","2051","2057","10.1021/ic000996e","","","0.71073","MoKα","","0.0489","0.0305","","","0.0591","0.0659","","","","","","1.068","","","","has coordinates","179275","2020-10-21","18:00:00","" "4319544","19.29","0.003","16.927","0.003","22.475","0.003","90","","90","","90","","7339","2","173","2","173","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C42 H36 O2 P2 Pt S2 -","- C42 H36 O2 P2 Pt S2 -","- C336 H288 O16 P16 Pt8 S16 -","8","1","","José Vicente; María Teresa Chicote; Sonia Huertas; Delia Bautista; Peter G. Jones; Axel K. Fischer","Mononuclear (Pd, Pt), Heterodinuclear (PdAg, PtAg), and Tetranuclear (Pd2Ag2, Pt2Ag2) 1,1-Ethylenedithiolato Complexes","Inorganic Chemistry","2001","40","","2051","2057","10.1021/ic000996e","","","0.71073","MoKα","","0.0768","0.0307","","","0.053","0.0592","","","","","","0.786","","","","has coordinates","179275","2020-10-21","18:00:00","" "4319545","11.9402","0.0011","18.9221","0.0012","25.58","0.002","90","","90","","90","","5779.4","0.8","298","2","298","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C20 H36 N2 O4 Pd S4 -","- C20 H36 N2 O4 Pd S4 -","- C160 H288 N16 O32 Pd8 S32 -","8","1","","José Vicente; María Teresa Chicote; Sonia Huertas; Delia Bautista; Peter G. Jones; Axel K. Fischer","Mononuclear (Pd, Pt), Heterodinuclear (PdAg, PtAg), and Tetranuclear (Pd2Ag2, Pt2Ag2) 1,1-Ethylenedithiolato Complexes","Inorganic Chemistry","2001","40","","2051","2057","10.1021/ic000996e","","","0.71073","MoKα","","0.1253","0.0515","","0.1731","0.1313","","","","0.969","1.133","1.133","","","","","has coordinates,has disorder","179275","2020-10-21","18:00:00","" "4319546","11.0089","0.0002","29.4225","0.0005","14.0317","0.0003","90","","100.846","0.01","90","","4463.8","0.2","163","2","163","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C92 H92 Ag2 Cl2 O14 P4 Pt2 S4 -","- C92 H92 Ag2 Cl2 O14 P4 Pt2 S4 -","- C184 H184 Ag4 Cl4 O28 P8 Pt4 S8 -","2","0.5","","José Vicente; María Teresa Chicote; Sonia Huertas; Delia Bautista; Peter G. Jones; Axel K. Fischer","Mononuclear (Pd, Pt), Heterodinuclear (PdAg, PtAg), and Tetranuclear (Pd2Ag2, Pt2Ag2) 1,1-Ethylenedithiolato Complexes","Inorganic Chemistry","2001","40","","2051","2057","10.1021/ic000996e","","","0.71073","MoKα","","0.0529","0.0323","","","0.0524","0.0572","","","","","","1.027","","","","has coordinates","179275","2020-10-21","18:00:00","" "4319547","10.6869","0.001","12.574","0.002","16.482","0.002","80.422","0.01","73.741","0.01","87.582","0.01","2096.6","0.5","173","2","173","2","","","","","","","","8","P -1","-P 1","2","","","","- C87 H78 Ag2 Cl2 O13 P4 Pt2 S4 -","- C87 H72 Ag2 Cl2 O13 P4 Pt2 S4 -","- C87 H72 Ag2 Cl2 O13 P4 Pt2 S4 -","1","0.5","","José Vicente; María Teresa Chicote; Sonia Huertas; Delia Bautista; Peter G. Jones; Axel K. Fischer","Mononuclear (Pd, Pt), Heterodinuclear (PdAg, PtAg), and Tetranuclear (Pd2Ag2, Pt2Ag2) 1,1-Ethylenedithiolato Complexes","Inorganic Chemistry","2001","40","","2051","2057","10.1021/ic000996e","","","0.71073","MoKα","","0.043","0.0337","","","0.0798","0.0842","","","","","","1.004","","","","has coordinates,has disorder","179275","2020-10-21","18:00:00","" "4319548","7.2771","0.0005","10.9638","0.0007","13.1279","0.0008","73.965","0.001","86.445","0.001","79.778","0.001","990.58","0.11","163","2","163","2","","","","","","","","6","P -1","-P 1","2","","","","- C16 H18 N2 Na O8 W -","- C16 H18 N2 Na O8 W -","- C32 H36 N4 Na2 O16 W2 -","2","1","","Donald J. Darensbourg; Brian J. Frost; David L. Larkins","An Experimental and Theoretical Investigation of the Carbon Dioxide Insertion Process into the Tungsten-Nitrogen Bond of an Anionic W(0) Complex","Inorganic Chemistry","2001","40","","1993","1999","10.1021/ic001006s","","","0.71073","MoKα","","0.026","0.0213","","","0.0524","0.0632","","","","","","1.214","","","","has coordinates","179275","2020-10-21","18:00:00","" "4319549","8.177","0.002","10.291","0.001","14.771","0.002","90","0.01","102.19","0.01","90","0.01","1214.9","0.4","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C10 H8 Ag N3 O3 S -","- C10 H8 Ag N3 O3 S -","- C40 H32 Ag4 N12 O12 S4 -","4","1","","Ok-Sang Jung; Yun Ju Kim; Young-A Lee; Hee K. Chae; Ho G. Jang; Jongki Hong","Structures and Related Properties of AgX Bearing 3,3'-Thiobispyridine (X-= NO3-, BF4-, ClO4-, and PF6-)","Inorganic Chemistry","2001","40","","2105","2110","10.1021/ic001072u","","","0.71073","MoKα","","0.0309","0.03","","","0.0729","0.0736","","","","","","1.054","","","","has coordinates","179275","2020-10-21","18:00:00","" "4319550","8.946","0.003","14.13","0.002","10.124","0.002","90","0.02","107.83","0.02","90","0.02","1218.3","0.5","293","2","293","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C10 H8 Ag B F4 N2 S -","- C10 H8 Ag B F4 N2 S -","- C40 H32 Ag4 B4 F16 N8 S4 -","4","1","","Ok-Sang Jung; Yun Ju Kim; Young-A Lee; Hee K. Chae; Ho G. Jang; Jongki Hong","Structures and Related Properties of AgX Bearing 3,3'-Thiobispyridine (X-= NO3-, BF4-, ClO4-, and PF6-)","Inorganic Chemistry","2001","40","","2105","2110","10.1021/ic001072u","","","0.71073","MoKα","","0.0353","0.0351","","","0.0906","0.0907","","","","","","1.182","","","","has coordinates","179275","2020-10-21","18:00:00","" "4319551","8.884","0.001","14.305","0.003","10.11","0.001","90","0.01","106.78","0.01","90.01","0.01","1230.1","0.3","293","2","293","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C10 H8 Ag Cl N2 O4 S -","- C10 H8 Ag Cl N2 O4 S -","- C40 H32 Ag4 Cl4 N8 O16 S4 -","4","1","","Ok-Sang Jung; Yun Ju Kim; Young-A Lee; Hee K. Chae; Ho G. Jang; Jongki Hong","Structures and Related Properties of AgX Bearing 3,3'-Thiobispyridine (X-= NO3-, BF4-, ClO4-, and PF6-)","Inorganic Chemistry","2001","40","","2105","2110","10.1021/ic001072u","","","0.71073","MoKα","","0.0424","0.0417","","","0.1039","0.1046","","","","","","1.125","","","","has coordinates","179275","2020-10-21","18:00:00","" "4319552","10.959","0.002","9.808","0.002","14.065","0.003","90","0.02","112.03","0.02","90","0.01","1401.4","0.5","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C10 H8 Ag F6 N2 P S -","- C10 H8 Ag F6 N2 P S -","- C40 H32 Ag4 F24 N8 P4 S4 -","4","1","","Ok-Sang Jung; Yun Ju Kim; Young-A Lee; Hee K. Chae; Ho G. Jang; Jongki Hong","Structures and Related Properties of AgX Bearing 3,3'-Thiobispyridine (X-= NO3-, BF4-, ClO4-, and PF6-)","Inorganic Chemistry","2001","40","","2105","2110","10.1021/ic001072u","","","0.71073","MoKα","","0.0447","0.0442","","","0.1157","0.1163","","","","","","1.135","","","","has coordinates","179275","2020-10-21","18:00:00","" "4319553","25.746","0.003","25.746","0.003","8.6695","0.0009","90","","90","","90","","5746.6","1.1","173","2","173","2","","","","","","","","6","I 41/a :2","-I 4ad","88","","","","- C7.5 H17 Ag B9 O3 Re -","- C7.5 H11 Ag B9 O3 Re -","- C120 H176 Ag16 B144 O48 Re16 -","16","1","","Dianne D. Ellis; John C. Jeffery; Paul A. Jelliss; Jason A. Kautz; F. Gordon A. Stone","Silver as an Exopolyhedral Auxiliary to the Rhenacarborane Anion [Re(CO)3(η5-7,8-C2B9H11)]-","Inorganic Chemistry","2001","40","","2041","2050","10.1021/ic001140c","","","0.71073","MoKα","","0.0358","0.0313","","","0.0792","0.0812","","","","","","1.194","","","","has coordinates","288183","2023-12-08","14:42:59","" "4319554","21.12","0.003","11.5944","0.0019","22.926","0.003","90","","94.078","0.01","90","","5599.8","1.4","173","2","173","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C18.75 H24.5 Ag B9 Cl1.5 O3 P Re -","- C18.75 H24.5 Ag B9 Cl1.5 O3 P Re -","- C150 H196 Ag8 B72 Cl12 O24 P8 Re8 -","8","1","","Dianne D. Ellis; John C. Jeffery; Paul A. Jelliss; Jason A. Kautz; F. Gordon A. Stone","Silver as an Exopolyhedral Auxiliary to the Rhenacarborane Anion [Re(CO)3(η5-7,8-C2B9H11)]-","Inorganic Chemistry","2001","40","","2041","2050","10.1021/ic001140c","","","0.71073","MoKα","","0.032","0.026","","","0.0623","0.0633","","","","","","0.965","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00","" "4319555","7.0107","0.0006","12.431","0.003","12.5833","0.0019","83.311","0.014","77.73","0.016","83.604","0.017","1060","0.3","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C12 H19 Ag B9 N4 O3 Re -","- C12 H19 Ag B9 N4 O3 Re -","- C24 H38 Ag2 B18 N8 O6 Re2 -","2","1","","Dianne D. Ellis; John C. Jeffery; Paul A. Jelliss; Jason A. Kautz; F. Gordon A. Stone","Silver as an Exopolyhedral Auxiliary to the Rhenacarborane Anion [Re(CO)3(η5-7,8-C2B9H11)]-","Inorganic Chemistry","2001","40","","2041","2050","10.1021/ic001140c","","","0.71073","MoKα","","0.0286","0.0256","","","0.0629","0.0643","","","","","","1.123","","","","has coordinates","288183","2023-12-08","14:42:59","" "4319556","39.326","0.007","10.5952","0.0014","21.378","0.003","90","","114.572","0.013","90","","8101","2","293","2","293","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C21 H34 Ag2 B18 Cl2 N6 O6 Re2 -","- C20.997 H34 Ag2 B18 Cl2 N6 O6 Re2 -","- C167.976 H272 Ag16 B144 Cl16 N48 O48 Re16 -","8","1","","Dianne D. Ellis; John C. Jeffery; Paul A. Jelliss; Jason A. Kautz; F. Gordon A. Stone","Silver as an Exopolyhedral Auxiliary to the Rhenacarborane Anion [Re(CO)3(η5-7,8-C2B9H11)]-","Inorganic Chemistry","2001","40","","2041","2050","10.1021/ic001140c","","","0.71073","MoKα","","0.0352","0.0321","","","0.0824","0.0844","","","","","","1.055","","","","has coordinates,has disorder","288183","2023-12-08","14:42:59","" "4319557","18.054","0.007","12.3798","0.0012","25.173","0.004","90","","102.81","0.02","90","","5486","2","293","2","293","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C20.5 H23 Ag B9 Cl N3 O3 Re -","- C20.5 H23 Ag B9 Cl N3 O3 Re -","- C164 H184 Ag8 B72 Cl8 N24 O24 Re8 -","8","1","","Dianne D. Ellis; John C. Jeffery; Paul A. Jelliss; Jason A. Kautz; F. Gordon A. Stone","Silver as an Exopolyhedral Auxiliary to the Rhenacarborane Anion [Re(CO)3(η5-7,8-C2B9H11)]-","Inorganic Chemistry","2001","40","","2041","2050","10.1021/ic001140c","","","0.71073","MoKα","","0.0468","0.0376","","","0.0936","0.0999","","","","","","1.155","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00","" "4319558","14.465","0.005","17.353","0.003","10.202","0.002","90.98","0.01","108.59","0.02","98.13","0.02","2397.5","1.1","282.2","","282.2","","","","","","","","","7","P -1","-P 1","2","","","","- C28.5 H24 K0.5 N12.5 O S12 W3 -","- C28.5 H24 K0.5 N12.5 O S12 W3 -","- C57 H48 K N25 O2 S24 W6 -","2","1","","Masataka Maeyama; Genta Sakane; Roberta Piertatelli; Ivano Bertini; Takashi Shibahara","Adduct of Acetylene at Sulfur in an Oxygen- and Sulfur-Bridged Open Cubane Cluster Complex of Tungsten","Inorganic Chemistry","2001","40","","2111","2119","10.1021/ic001174k","","","0.7107","MoKα","","0.0351","0.035","","","0.0549","0.055","","","","","","1.283","","","","has coordinates","176467","2020-10-21","18:00:00","" "4319559","9.469","0.002","10.834","0.001","41.839","0.006","90","","92.04","0.02","90","","4289.4","1.2","293","2","293","2","","","","","","","synthesis as described","7","P 1 21/n 1","-P 2yn","14","","Tetra-μ3-thio-tris[(methylcyclopentadienyl)tungsten]- (triphenylphosphine)nickel toluenesulfonate","","- C43 H43 Ni O3 P S5 W3 -","- C43 H43 Ni O3 P S5 W3 -","- C172 H172 Ni4 O12 P4 S20 W12 -","4","1","","Konrad Herbst; Lutz Dahlenburg; Michael Brorson","Methylcyclopentadienyl-Substituted Tungsten(IV) Sulfido Cluster [(η5-Cp')3W3S4]+ and Its Heterobimetallic Derivative [(η5-Cp')3W3S4Ni(PPh3)]+","Inorganic Chemistry","2001","40","","1989","1992","10.1021/ic001194m","","x-ray","0.71073","MoKα","","0.0754","0.0459","","","0.1029","0.1128","","","","","","1.058","","","","has coordinates","179275","2020-10-21","18:00:00","" "4319560","9.832","0.002","11.565","0.002","15.177","0.003","90","","90","","90","","1725.7","0.6","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","[di(pyrrolyl-alpha-methyl)methylamine]Bis(dimethylamido)titanium(IV)","","- C15 H25 N5 Ti -","- C15 H25 N5 Ti -","- C60 H100 N20 Ti4 -","4","1","","Shannon A. Harris; James T. Ciszewski; Aaron L. Odom","Titanium η1-Pyrrolyl Complexes: Electronic and Structural Characteristics Imposed by the N,N-Di(pyrrolyl-α-methyl)-N-methylamine (dpma) Ligand","Inorganic Chemistry","2001","40","","1987","1988","10.1021/ic001238r","","","0.71073","MoKα","","0.092","0.0524","","","0.1297","0.1465","","","","","","1.016","","","","has coordinates","288183","2023-12-08","14:42:59","" "4319561","8.4577","0.0002","15.8566","0.0004","12.2944","0.0001","90","","105.83","0.001","90","","1586.28","0.06","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","[di(pyrrolyl-alpha-methyl)methylamine](dimethylamido)iodotitanium(IV)","","- C13 H19 I N4 Ti -","- C13 H19 I N4 Ti -","- C52 H76 I4 N16 Ti4 -","4","1","","Shannon A. Harris; James T. Ciszewski; Aaron L. Odom","Titanium η1-Pyrrolyl Complexes: Electronic and Structural Characteristics Imposed by the N,N-Di(pyrrolyl-α-methyl)-N-methylamine (dpma) Ligand","Inorganic Chemistry","2001","40","","1987","1988","10.1021/ic001238r","","","0.71073","MoKα","","0.0325","0.0253","","","0.0683","0.0703","","","","","","1.06","","","","has coordinates","288183","2023-12-08","14:42:59","" "4319562","7.5292","0.0004","15.6","0.001","15.4081","0.0009","90","","93.552","0.002","90","","1806.29","0.18","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C32 H28 Fe2 Mn N12 O6 -","- C32 H28 Fe2 Mn N12 O6 -","- C64 H56 Fe4 Mn2 N24 O12 -","2","0.5","","Rodrigue Lescouëzec; Francesc Lloret; Miguel Julve; Jacqueline Vaissermann; Michel Verdaguer; Rosa Llusar; Santiago Uriel","[Fe(Phen)(CN)4]-: A Versatile Building Block for the Design of Heterometallic Systems. Crystal Structures and Magnetic Properties of PPh4[Fe(Phen)(CN)4].2H2O and [{Fe(Phen)(CN)4}2M(H2O)2].4H2O [Phen = 1,10-Phenanthroline; M = Mn(II) and Zn(II)]","Inorganic Chemistry","2001","40","","2065","2072","10.1021/ic001241a","","","0.71073","MoKα","","0.0791","0.0402","","","0.0833","0.0916","","","","","","0.945","","","","has coordinates","179275","2020-10-21","18:00:00","" "4319563","9.364","0.004","27.473","0.005","14.301","0.003","90","","97.68","0.02","90","","3646","1.9","295","","295","","","","","","","","?","6","P 1 21/c 1","-P 2ybc","14","","","","- C40 H32 Fe N6 O2 P -","- C40 H28 Fe N6 O2 P -","- C160 H112 Fe4 N24 O8 P4 -","4","1","","Rodrigue Lescouëzec; Francesc Lloret; Miguel Julve; Jacqueline Vaissermann; Michel Verdaguer; Rosa Llusar; Santiago Uriel","[Fe(Phen)(CN)4]-: A Versatile Building Block for the Design of Heterometallic Systems. Crystal Structures and Magnetic Properties of PPh4[Fe(Phen)(CN)4].2H2O and [{Fe(Phen)(CN)4}2M(H2O)2].4H2O [Phen = 1,10-Phenanthroline; M = Mn(II) and Zn(II)]","Inorganic Chemistry","2001","40","","2065","2072","10.1021/ic001241a","","","0.71069","MoKα","","","0.0641","","","0.076","","","","","1.1156","1.1156","","","","","has coordinates","211332","2020-10-21","18:00:00","" "4319564","7.44","0.001","15.569","0.003","15.344","0.006","90","","93.63","0.02","90","","1773.8","0.8","295","","295","","","","","","","","?","6","P 1 21/n 1","-P 2yn","14","","","","- C32 H28 Fe2 N12 O6 Zn -","- C32 H28 Fe2 N12 O6 Zn -","- C64 H56 Fe4 N24 O12 Zn2 -","2","0.5","","Rodrigue Lescouëzec; Francesc Lloret; Miguel Julve; Jacqueline Vaissermann; Michel Verdaguer; Rosa Llusar; Santiago Uriel","[Fe(Phen)(CN)4]-: A Versatile Building Block for the Design of Heterometallic Systems. Crystal Structures and Magnetic Properties of PPh4[Fe(Phen)(CN)4].2H2O and [{Fe(Phen)(CN)4}2M(H2O)2].4H2O [Phen = 1,10-Phenanthroline; M = Mn(II) and Zn(II)]","Inorganic Chemistry","2001","40","","2065","2072","10.1021/ic001241a","","","0.71069","MoKα","","","0.0492","","","0.0608","","","","","1.018","1.018","","","","","has coordinates","211332","2020-10-21","18:00:00","" "4319565","17.7509","0.0002","20.6898","0.0004","11.786","0.0002","90","","106.535","0.0008","90","","4149.56","0.12","203","2","203","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C44 H52 Cl2 Mn N6 O6 -","- C44 H40 Cl2 Mn N6 O6 -","- C176 H160 Cl8 Mn4 N24 O24 -","4","0.5","","Louise M. Liable-Sands; Christopher Incarvito; Arnold L. Rheingold; C. Jin Qin; Anna L. Gavrilova; B. Bosnich","Bimetallic Reactivity. Preparation and Properties of Bimetallic Complexes Formed by Binucleating Ligands Bearing 4- and 6-Coordinate Sites","Inorganic Chemistry","2001","40","","2147","2155","10.1021/ic0012625","","","0.71073","MoKα","","0.084","0.07","","","0.1986","0.2143","","","","","","1.62","","","","has coordinates,has disorder","179275","2020-10-21","18:00:00","" "4319566","21.9346","0.0003","8.85063","0.00002","24.7046","0.0002","90","","91.7382","0.0004","90","","4793.82","0.08","173","2","173","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C43 H39 Cu2 F12 N7 O4 P2 -","- C43 H39 Cu2 F12 N7 O4 P2 -","- C172 H156 Cu8 F48 N28 O16 P8 -","4","1","","Louise M. Liable-Sands; Christopher Incarvito; Arnold L. Rheingold; C. Jin Qin; Anna L. Gavrilova; B. Bosnich","Bimetallic Reactivity. Preparation and Properties of Bimetallic Complexes Formed by Binucleating Ligands Bearing 4- and 6-Coordinate Sites","Inorganic Chemistry","2001","40","","2147","2155","10.1021/ic0012625","","","0.71073","MoKα","","0.118","0.0613","","","0.1137","0.1332","","","","","","1.171","","","","has coordinates","179275","2020-10-21","18:00:00","" "4319567","13.4631","0.0003","13.7955","0.0002","14.7086","0.0003","97.339","0.0003","106.521","0.0007","113.053","0.0008","2319.68","0.08","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C44 H40 Cu2 F12 N8 O4 P2 -","- C44 H40 Cu2 F12 N8 O4 P2 -","- C88 H80 Cu4 F24 N16 O8 P4 -","2","1","","Louise M. Liable-Sands; Christopher Incarvito; Arnold L. Rheingold; C. Jin Qin; Anna L. Gavrilova; B. Bosnich","Bimetallic Reactivity. Preparation and Properties of Bimetallic Complexes Formed by Binucleating Ligands Bearing 4- and 6-Coordinate Sites","Inorganic Chemistry","2001","40","","2147","2155","10.1021/ic0012625","","","0.71073","MoKα","","0.0612","0.0476","","","0.1327","0.141","","","","","","1.065","","","","has coordinates","179275","2020-10-21","18:00:00","" "4319568","12.8938","0.0002","10.2999","0.0002","20.9684","0.0001","90","","90","","90","","2784.71","0.07","153","2","153","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","spiro-[(CF2CH2O)2PHN][F2PN]3","","","- C4 H4 F10 N4 O2 P4 -","- C4 H4 F10 N4 O2 P4 -","- C32 H32 F80 N32 O16 P32 -","8","1","","Anil J. Elias; Brendan Twamley; Jean'ne M. Shreeve","Syntheses and Experimental Studies on the Relative Stabilities of Spiro, Ansa, and Bridged Derivatives of Cyclic Tetrameric Fluorophosphazene","Inorganic Chemistry","2001","40","","2120","2126","10.1021/ic001294s","","","0.71073","MoKα","","0.0758","0.0613","","","0.1125","0.1185","","","","","","1.204","","","","has coordinates","201982","2020-10-21","18:00:00","" "4319569","9.4073","0.0001","13.589","0.0002","9.3806","0.0001","90","","90","","90","","1199.18","0.03","203","2","203","2","","","","","","","","6","P n m a","-P 2ac 2n","62","N4P4F6O(CH3)3O","","","- C3 H6 F6 N4 O2 P4 -","- C3 H6 F6 N4 O2 P4 -","- C12 H24 F24 N16 O8 P16 -","4","0.5","","Anil J. Elias; Brendan Twamley; Jean'ne M. Shreeve","Syntheses and Experimental Studies on the Relative Stabilities of Spiro, Ansa, and Bridged Derivatives of Cyclic Tetrameric Fluorophosphazene","Inorganic Chemistry","2001","40","","2120","2126","10.1021/ic001294s","","","0.71073","MoKα","","0.0731","0.0656","","","0.1702","0.1764","","","","","","1.143","","","","has coordinates","179275","2020-10-21","18:00:00","" "4319570","9.3975","0.0007","10.648","0.002","10.779","0.002","68.775","0.004","74.127","0.004","68.357","0.007","922.3","0.3","295.2","","295.2","","","","","","","","","6","P -1","-P 1","2","","","","- C14 H17 Cl N4 O5 Re2 -","- C14 H17 Cl N4 O5 Re2 -","- C28 H34 Cl2 N8 O10 Re4 -","2","1","","Liang Xu; Jason Pierreroy; Brian O. Patrick; Chris Orvig","Chemistry of Re with N,N'-Bis(2-pyridylmethyl)ethylenediamine (H2pmen): Hydrolysis, Dehydrogenation, and Ternary Complexes","Inorganic Chemistry","2001","40","","2005","2010","10.1021/ic0013025","","","0.7107","MoKα","","0.0818","0.044","","0.1184","","0.059","","","1.547","","","1.547","","","","has coordinates","176467","2020-10-21","18:00:00","" "4319571","8.4833","0.0002","18.7387","0.0007","15.0656","0.0006","90","","91.468","0.002","90","","2394.13","0.14","173.2","","173.2","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C21 H22 Cl N4 O8 Re2 -","- C21.001 H22 Cl N4 O8 Re2 -","- C84.004 H88 Cl4 N16 O32 Re8 -","4","1","","Liang Xu; Jason Pierreroy; Brian O. Patrick; Chris Orvig","Chemistry of Re with N,N'-Bis(2-pyridylmethyl)ethylenediamine (H2pmen): Hydrolysis, Dehydrogenation, and Ternary Complexes","Inorganic Chemistry","2001","40","","2005","2010","10.1021/ic0013025","","","0.7107","MoKα","","0.0507","0.027","","0.072","","0.033","","","0.932","","","0.99","","","","has coordinates","176467","2020-10-21","18:00:00","" "4319572","28.212","0.003","15.0577","0.001","15.7","0.002","90","","123.255","0.009","90","","5577.3","1.2","298","2","298","2","","","","","","","[{Cp*Ru(mu-H)}2B3H7], P(OMe)3","6","C 1 2/c 1","-C 2yc","15","","(mu-hapto4-methoxyboranyl)(mu-hapto4-pentahydrodiboranyl)(mu-dimethoxyphosphido) bis(pentamethylcyclopentadienylruthenium) ?","","- C23 H44 B3 O3 P Ru2 -","- C23 H44 B3 O3 P Ru2 -","- C184 H352 B24 O24 P8 Ru16 -","8","1","","Lourdes N. Pangan; Yasuro Kawano; Mamoru Shimoi","Synthesis of nido-[1-OMe-2,3-(Cp*Ru)2{μ-P(OMe)2}B3H5]: Methoxy Transfer from Phosphorus to Boron and Cluster Core Rearrangement","Inorganic Chemistry","2001","40","","1985","1986","10.1021/ic001334s","","","0.71069","MoKα","","0.0341","0.0335","","0.1048","0.1028","","","","0.271","0.268","0.268","","","","","has coordinates","179275","2020-10-21","18:00:00","" "4319573","21.379","0.004","8.9702","0.0018","18.527","0.004","90","","90","","90","","3553","1.2","150","2","150","2","","","","","","","","6","P n a 21","P 2c -2n","33","((F4-Ni)TBA)","((C4H9)4-N)(Ni(F2-PDT)2)","","- C26 H44 F4 N Ni S8 -","- C26 H44 F4 N Ni S8 -","- C104 H176 F16 N4 Ni4 S32 -","4","1","","Olivier J. Dautel; Marc Fourmigué","Stabilization of Isolated Mixed-Valence Trimers in a Novel Nickel Dithiolene Complex with CF2 Substituents","Inorganic Chemistry","2001","40","","2083","2087","10.1021/ic0013835","","","0.71073","MoKα","","0.059","0.0299","","","0.0445","0.0496","","","","","","0.706","","","","has coordinates","179275","2020-10-21","18:00:00","" "4319574","12.33","0.003","12.726","0.003","15.706","0.003","91.1","0.03","110.78","0.03","116.01","0.03","2025.5","1.2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","[(F4Ni)3 (TTF)3,CH2Cl2]","","","- C49 H36 Cl2 F12 Ni3 S36 -","- C49 H36 Cl2 F12 Ni3 S36 -","- C49 H36 Cl2 F12 Ni3 S36 -","1","0.5","","Olivier J. Dautel; Marc Fourmigué","Stabilization of Isolated Mixed-Valence Trimers in a Novel Nickel Dithiolene Complex with CF2 Substituents","Inorganic Chemistry","2001","40","","2083","2087","10.1021/ic0013835","","","0.71073","MoKα","","0.1241","0.045","","","0.0975","0.1256","","","","","","0.897","","","","has coordinates","179275","2020-10-21","18:00:00","" "4319575","14.8034","0.0009","11.1847","0.0007","15.788","0.001","90","","110.023","0.001","90","","2456","0.3","153.2","","153.2","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C20 H20 Cd Cr2 N4 O7 -","- C20 H20 Cd0.5 Cr2 N4 O7 -","- C80 H80 Cd2 Cr8 N16 O28 -","4","0.5","","Alexander J. Norquist; Kevin R. Heier; P. Shiv Halasyamani; Charlotte L. Stern; Kenneth R. Poeppelmeier","Polar Compounds Constructed with the [Cr2O7]2- Anion","Inorganic Chemistry","2001","40","","2015","2019","10.1021/ic000953y","","","0.7107","MoKα","","0.0319","0.032","","0.029","","0.029","","","1.856","","","1.86","","","","has coordinates","176467","2020-10-21","18:00:00","" "4319576","9.2339","0.0005","14.2902","0.0008","9.3986","0.0005","90","","108.808","0.002","90","","1173.96","0.11","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C21 H17 Cu N7 O6 S2 -","- C21 H17 Cu N7 O6 S2 -","- C42 H34 Cu2 N14 O12 S4 -","2","1","","Ramalingam Balamurugan; Mallayan Palaniandavar; R. Srinivasa Gopalan","Trigonal Planar Copper(I) Complex: Synthesis, Structure, and Spectra of a Redox Pair of Novel Copper(II/I) Complexes of Tridentate Bis(benzimidazol-2'-yl) Ligand Framework as Models for Electron-Transfer Copper Proteins","Inorganic Chemistry","2001","40","","2246","2255","10.1021/ic0003372","","","0.71073","MoKα","","0.0647","0.0403","","0.1098","0.0998","","","","0.992","1.041","1.041","","","","","has coordinates","179275","2020-10-21","18:00:00","" "4319577","8.7099","0.0002","10.9708","0.0002","22.1656","0.0003","90","","90","","90","","2118.02","0.07","130","2","130","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C21 H17 Cu N6 O3 S2 -","- C21 H17 Cu N6 O3 S2 -","- C84 H68 Cu4 N24 O12 S8 -","4","1","","Ramalingam Balamurugan; Mallayan Palaniandavar; R. Srinivasa Gopalan","Trigonal Planar Copper(I) Complex: Synthesis, Structure, and Spectra of a Redox Pair of Novel Copper(II/I) Complexes of Tridentate Bis(benzimidazol-2'-yl) Ligand Framework as Models for Electron-Transfer Copper Proteins","Inorganic Chemistry","2001","40","","2246","2255","10.1021/ic0003372","","","0.71073","MoKα","","0.0321","0.0289","","0.085","0.0833","","","","1.081","1.098","1.098","","","","","has coordinates","179275","2020-10-21","18:00:00","" "4319578","8.4268","0.0014","13.525","0.002","18.85","0.004","99.029","0.015","94.65","0.02","89.872","0.014","2114.7","0.7","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C21 H17 Cl Cu N5 S2 -","- C21 H17 Cl Cu N5 S2 -","- C84 H68 Cl4 Cu4 N20 S8 -","4","2","","Ramalingam Balamurugan; Mallayan Palaniandavar; R. Srinivasa Gopalan","Trigonal Planar Copper(I) Complex: Synthesis, Structure, and Spectra of a Redox Pair of Novel Copper(II/I) Complexes of Tridentate Bis(benzimidazol-2'-yl) Ligand Framework as Models for Electron-Transfer Copper Proteins","Inorganic Chemistry","2001","40","","2246","2255","10.1021/ic0003372","","","1.5418","CuKα","","0.0764","0.0579","","0.2054","0.1549","","","","1.036","1.03","1.03","","","","","has coordinates","179275","2020-10-21","18:00:00","" "4319579","15.921","0.004","17.484","0.004","8.774","0.002","103.14","0.02","102.3","0.02","109.68","0.02","2124.9","1","223.2","","","","","","","","","","","9","P -1","-P 1","2","","","","- C18 H45 Cl4 N3 O12 P4 Ru2 S2 Zn -","- C18 Cl4 N3 O12 P4 Ru2 S2 Zn -","- C36 Cl8 N6 O24 P8 Ru4 S4 Zn2 -","2","1","","Kumiko Yoshioka; Hayato Kikuchi; Jun Mizutani; Kazuko Matsumoto","Redox-Associated η1 to η2 Conversion of Disulfide Ligands in Dinuclear Ruthenium Complexes","Inorganic Chemistry","2001","40","","2234","2239","10.1021/ic000392a","","","0.7107","MoKα","","","0.055","","","","0.0735","","","","","","2.001","","","","has coordinates","176467","2020-10-21","18:00:00","" "4319580","15.943","0.004","17.703","0.004","8.883","0.001","102.96","0.02","102.02","0.02","109.1","0.02","2198.1","0.9","223.2","","","","","","","","","","","9","P -1","-P 1","2","","","","- C18 H45 Br4 N3 O12 P4 Ru2 S2 Zn -","- C18 Br4 N3 O12 P4 Ru2 S2 Zn -","- C36 Br8 N6 O24 P8 Ru4 S4 Zn2 -","2","1","","Kumiko Yoshioka; Hayato Kikuchi; Jun Mizutani; Kazuko Matsumoto","Redox-Associated η1 to η2 Conversion of Disulfide Ligands in Dinuclear Ruthenium Complexes","Inorganic Chemistry","2001","40","","2234","2239","10.1021/ic000392a","","","0.7107","MoKα","","","0.0506","","","","0.075","","","","","","1.158","","","","has coordinates","176467","2020-10-21","18:00:00","" "4319581","7.7013","0.0004","8.7917","0.0004","15.9492","0.0007","84.748","0.001","84.71","0.001","66.351","0.001","983.22","0.08","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H22 Cl4 Cu N4 -","- C14 H22 Cl4 Cu N4 -","- C28 H44 Cl8 Cu2 N8 -","2","1","","Salim Haddad; Roger D. Willett","Polymorphism in Bis(4-dimethylamino- pyridinium)tetrachlorocuprate(II)","Inorganic Chemistry","2001","40","","2457","2460","10.1021/ic000613c","","","0.71073","MoKα","","0.0418","0.0349","","","0.0848","0.0898","","","","","","1.081","","","","has coordinates","179275","2020-10-21","18:00:00","" "4319582","11.973","0.003","12.522","0.003","14.523","0.003","90","","113.861","0.013","90","","1991.3","0.8","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C14 H22 Cl4 Cu N4 -","- C14 H22 Cl4 Cu N4 -","- C56 H88 Cl16 Cu4 N16 -","4","0.5","","Salim Haddad; Roger D. Willett","Polymorphism in Bis(4-dimethylamino- pyridinium)tetrachlorocuprate(II)","Inorganic Chemistry","2001","40","","2457","2460","10.1021/ic000613c","","","0.71073","MoKα","","0.0357","0.0334","","","0.0943","0.0964","","","","","","1.063","","","","has coordinates","179275","2020-10-21","18:00:00","" "4319583","11.5126","0.0009","11.5126","0.0009","11.5126","0.0009","90","","90","","90","","1525.9","0.2","293","2","293","2","","","","","","","","6","P -4 3 m","P -4 2 3","215","","","","- C6 H18.75 Cl1.75 N3 O9 Zn -","- C6 H13.98 Cl1.75 N3.01 O8.95 Zn -","- C24 H55.92 Cl7 N12.04 O35.8 Zn4 -","4","0.166667","","Jiang Xia; Yan Xu; Shu-an Li; Wei-yin Sun; Kai-bei Yu; Wen-xia Tang","Carboxy Ester Hydrolysis Promoted by a Zinc(II) 2-[Bis(2-aminoethyl)amino]ethanol Complex: A New Model for Indirect Activation on the Serine Nucleophile by Zinc(II) in Zinc Enzymes","Inorganic Chemistry","2001","40","","2394","2401","10.1021/ic000642n","","","0.71073","MoKα","","0.0756","0.0659","","","0.1853","0.1961","","","","","","1.128","","","","has coordinates,has disorder","179275","2020-10-21","18:00:00","" "4319584","14.657","0.002","11.234","0.002","28.677","0.005","90","","90","","90","","4721.9","1.3","296","2","296","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C12 H32 Cl2 N6 O10 Zn2 -","- C12 H32 Cl2 N6 O10 Zn2 -","- C96 H256 Cl16 N48 O80 Zn16 -","8","1","","Jiang Xia; Yan Xu; Shu-an Li; Wei-yin Sun; Kai-bei Yu; Wen-xia Tang","Carboxy Ester Hydrolysis Promoted by a Zinc(II) 2-[Bis(2-aminoethyl)amino]ethanol Complex: A New Model for Indirect Activation on the Serine Nucleophile by Zinc(II) in Zinc Enzymes","Inorganic Chemistry","2001","40","","2394","2401","10.1021/ic000642n","","","0.71073","MoKα","","0.0654","0.038","","","0.0916","0.099","","","","","","0.907","","","","has coordinates","179275","2020-10-21","18:00:00","" "4319585","11.8939","0.0007","9.4778","0.0005","13.3415","0.0008","90","","100.391","0.001","90","","1479.3","0.15","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C13 H8 N2 O3 S2 W -","- C13 H8 N2 O3 S2 W -","- C52 H32 N8 O12 S8 W4 -","4","1","","Kengkaj Sukcharoenphon; Kenneth B. Capps; Khalil A. Abboud; Carl D. Hoff","Synthesis and Structure of W(η2-mp)2(CO)3 (mp = Monoanion of 2-Mercaptopyridine) and Its Reactions with 2,2'-Pyridine Disulfide and/or NO To Yield W(η2-mp)4, W(η2-mp)2(NO)2, and W(η2-mp)3(NO)","Inorganic Chemistry","2001","40","","2402","2408","10.1021/ic000722r","","","0.71073","MoKα","","0.0323","0.0241","","","0.0555","0.0574","","","","","","1.025","","","","has coordinates","179275","2020-10-21","18:00:00","" "4319586","8.2604","0.0003","12.6162","0.0005","12.7995","0.0005","91.72","0.001","95.989","0.001","92.242","0.001","1324.82","0.09","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C10 H8 N4 O2 S2 W -","- C10 H8 N4 O2 S2 W -","- C40 H32 N16 O8 S8 W4 -","4","2","","Kengkaj Sukcharoenphon; Kenneth B. Capps; Khalil A. Abboud; Carl D. Hoff","Synthesis and Structure of W(η2-mp)2(CO)3 (mp = Monoanion of 2-Mercaptopyridine) and Its Reactions with 2,2'-Pyridine Disulfide and/or NO To Yield W(η2-mp)4, W(η2-mp)2(NO)2, and W(η2-mp)3(NO)","Inorganic Chemistry","2001","40","","2402","2408","10.1021/ic000722r","","","0.71073","MoKα","","0.0258","0.0235","","","0.0615","0.0627","","","","","","1.041","","","","has coordinates","179275","2020-10-21","18:00:00","" "4319587","15.021","0.0006","15.0846","0.0006","8.9312","0.0004","90","","90","","90","","2023.68","0.15","173","2","173","2","","","","","","","","7","P n m a","-P 2ac 2n","62","","","","- C16 H14 Cl2 N4 O S3 W -","- C16 H14 Cl2 N4 O S3 W -","- C64 H56 Cl8 N16 O4 S12 W4 -","4","0.5","","Kengkaj Sukcharoenphon; Kenneth B. Capps; Khalil A. Abboud; Carl D. Hoff","Synthesis and Structure of W(η2-mp)2(CO)3 (mp = Monoanion of 2-Mercaptopyridine) and Its Reactions with 2,2'-Pyridine Disulfide and/or NO To Yield W(η2-mp)4, W(η2-mp)2(NO)2, and W(η2-mp)3(NO)","Inorganic Chemistry","2001","40","","2402","2408","10.1021/ic000722r","","","0.71073","MoKα","","0.0177","0.0156","","","0.0372","0.0379","","","","","","1.029","","","","has coordinates,has disorder","179275","2020-10-21","18:00:00","" "4319588","10.02","0.003","16.538","0.008","12.758","0.005","90","","98.68","0.03","90","","2089.9","1.5","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C34 H42 Cl2 Cu2 N16 O8 -","- C34 H42 Cl2 Cu2 N16 O8 -","- C68 H84 Cl4 Cu4 N32 O16 -","2","0.5","","P. Manikandan; R. Muthukumaran; K. R. Justin Thomas; B. Varghese; G. V. R. Chandramouli; P. T. Manoharan","Copper(II) Azide Complexes of Aliphatic and Aromatic Amine Based Tridentate Ligands: Novel Structure, Spectroscopy, and Magnetic Properties","Inorganic Chemistry","2001","40","","2378","2389","10.1021/ic0009223","","","0.71073","MoKα","","0.0803","0.0602","","0.1859","0.1595","","","","1.103","1.091","1.091","","","","","has coordinates","179275","2020-10-21","18:00:00","" "4319589","8.393","0.002","12.2","0.004","12.235","0.003","77.29","0.02","78.5","0.02","79.06","0.02","1183.5","0.6","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C38 H48 Cl2 Cu2 N18 O8 -","- C38 H48 Cl2 Cu2 N18 O8 -","- C38 H48 Cl2 Cu2 N18 O8 -","1","0.5","","P. Manikandan; R. Muthukumaran; K. R. Justin Thomas; B. Varghese; G. V. R. Chandramouli; P. T. Manoharan","Copper(II) Azide Complexes of Aliphatic and Aromatic Amine Based Tridentate Ligands: Novel Structure, Spectroscopy, and Magnetic Properties","Inorganic Chemistry","2001","40","","2378","2389","10.1021/ic0009223","","","0.71073","MoKα","","0.0552","0.0506","","0.1516","0.1449","","","","1.063","1.077","1.077","","","","","has coordinates","179275","2020-10-21","18:00:00","" "4319590","7.7155","0.0006","13.459","0.002","16.671","0.003","90","","100.797","0.01","90","","1700.5","0.4","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C13 H13 Cl Cu N8 O4 -","- C13 H13 Cl Cu N8 O4 -","- C52 H52 Cl4 Cu4 N32 O16 -","4","1","","P. Manikandan; R. Muthukumaran; K. R. Justin Thomas; B. Varghese; G. V. R. Chandramouli; P. T. Manoharan","Copper(II) Azide Complexes of Aliphatic and Aromatic Amine Based Tridentate Ligands: Novel Structure, Spectroscopy, and Magnetic Properties","Inorganic Chemistry","2001","40","","2378","2389","10.1021/ic0009223","","","0.71073","MoKα","","0.0663","0.0445","","0.1276","0.1064","","","","1.076","1.049","1.049","","","","","has coordinates","179275","2020-10-21","18:00:00","" "4319591","9.442","0.002","11.472","0.003","12.722","0.003","77.136","0.009","87.503","0.01","80.344","0.008","1324.4","0.5","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C12 H34 Cl2 Cu2 N12 O8 -","- C12 H34 Cl2 Cu2 N12 O8 -","- C24 H68 Cl4 Cu4 N24 O16 -","2","1","","P. Manikandan; R. Muthukumaran; K. R. Justin Thomas; B. Varghese; G. V. R. Chandramouli; P. T. Manoharan","Copper(II) Azide Complexes of Aliphatic and Aromatic Amine Based Tridentate Ligands: Novel Structure, Spectroscopy, and Magnetic Properties","Inorganic Chemistry","2001","40","","2378","2389","10.1021/ic0009223","","","0.71073","MoKα","","0.071","0.0469","","0.2047","0.1205","","","","1.133","1.094","1.094","","","","","has coordinates","179275","2020-10-21","18:00:00","" "4319592","8.4517","0.0003","19.6456","0.0006","12.6511","0.0004","90","","109.4","0.001","90","","1981.31","0.11","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H15 Fe N8 O12 -","- C12 H15 Fe N8 O12 -","- C48 H60 Fe4 N32 O48 -","4","1","","Zhiqiang Xu; Laurence K. Thompson; Craig J. Matthews; David O. Miller; Andrés E. Goeta; Judith A. K. Howard","Synthesis of a Spin-Coupled, Mixed-Metal Double Square Grid Complex [(poap-H)4Cu(II)3Fe(III)(NO3)]2(ClO4)4(NO3)4.12H2O (poap = N3-(2-pyridoyl)-2-pyridinecarboxamidrazone) with an S = 3 Ground State, from a Mononuclear Fe(III) Precursor Complex","Inorganic Chemistry","2001","40","","2446","2449","10.1021/ic000923v","","","0.71073","MoKα","","0.1013","0.0462","","0.098","0.0754","","","","1.085","1.087","1.087","","","","","has coordinates","179275","2020-10-21","18:00:00","" "4319593","14.5592","0.0007","32.753","0.002","14.9417","0.0006","90","","116.301","0.001","90","","6387.5","0.6","193.2","","193.2","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C96 H100 Cl4 Cu6 Fe2 N46 O52 -","- C96 H100 Cl4 Cu6 Fe2 N46 O52 -","- C192 H200 Cl8 Cu12 Fe4 N92 O104 -","2","0.5","","Zhiqiang Xu; Laurence K. Thompson; Craig J. Matthews; David O. Miller; Andrés E. Goeta; Judith A. K. Howard","Synthesis of a Spin-Coupled, Mixed-Metal Double Square Grid Complex [(poap-H)4Cu(II)3Fe(III)(NO3)]2(ClO4)4(NO3)4.12H2O (poap = N3-(2-pyridoyl)-2-pyridinecarboxamidrazone) with an S = 3 Ground State, from a Mononuclear Fe(III) Precursor Complex","Inorganic Chemistry","2001","40","","2446","2449","10.1021/ic000923v","","","0.7107","MoKα","","0.1072","0.052","","0.062","","0.051","","","1.161","","","1.29","","","","has coordinates","176467","2020-10-21","18:00:00","" "4319594","7.277","0.0005","12.646","0.0009","13.9716","0.0009","90","","95.07","0.001","90","","1280.71","0.15","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C13 H13 N2 O Re S -","- C13 H13 N2 O Re S -","- C52 H52 N8 O4 Re4 S4 -","4","1","","Cungen Zhang; Ilia A. Guzei; James H. Espenson","Synthesis, Structure, and Catalytic Reactivity of N,N,S- and O,N,S-Tridentate Oxorhenium(V) Complexes","Inorganic Chemistry","2001","40","","2437","2438","10.1021/ic001087s","","","0.71073","MoKα","","0.0353","0.0244","","","0.0598","0.0652","","","","","","1.026","","","","has coordinates","179275","2020-10-21","18:00:00","" "4319595","12.1483","0.0003","12.5044","0.0003","16.7334","0.0004","91.356","0.001","110.979","0.001","114.425","0.001","2116.47","0.09","273.2","","124","","","","","","","","","4","P -1","-P 1","2","","","","- C56 H47 N4 Rh -","- C56 H33 N4 Rh -","- C112 H66 N8 Rh2 -","2","1","","James P. Collman; Roman Boulatov","Aromatic and Benzylic C-H Bond Activation in the System Bis(dicarbonylrhodium(I))- porphyrinate-Hydrocarbon Solvent","Inorganic Chemistry","2001","40","","2461","2464","10.1021/ic0011112","","","0.7107","MoKα","","0.0856","","","0.135","","","","","1.862","","","1.86","","","","has coordinates","176467","2020-10-21","18:00:00","" "4319596","8.498","0.002","22.952","0.005","8.948","0.002","90","","95.92","0.03","90","","1736","0.7","120","2","120","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C12 H26 Br Cl Cu N4 O4 -","- C12 H26 Br Cl Cu N4 O4 -","- C48 H104 Br4 Cl4 Cu4 N16 O16 -","4","1","","Louise Broge; Ulla Pretzmann; Nicolai Jensen; Inger Søtofte; Carl Erik Olsen; Johan Springborg","Cobalt(II), Nickel(II), Copper(II), and Zinc(II) Complexes with [35]Adamanzane, 1,5,9,13-Tetraazabicyclo[7.7.3]nonadecane, and [(2.3)2.21]Adamanzane, 1,5,9,12-Tetraazabicyclo[7.5.2]hexadecane","Inorganic Chemistry","2001","40","","2323","2334","10.1021/ic0011157","","","0.71073","MoKα","","0.0797","0.0651","","0.1343","0.1281","","","","1.183","1.237","1.237","","","","","has coordinates","179275","2020-10-21","18:00:00","" "4319597","13.251","0.003","13.951","0.003","20.374","0.004","90","","90","","90","","3766.4","1.4","120","2","120","2","","","","","","","","5","I b c a","-I 2b 2c","73","","","","- C15 H32 Br2 Cu N4 -","- C15 H32 Br2 Cu N4 -","- C120 H256 Br16 Cu8 N32 -","8","0.5","","Louise Broge; Ulla Pretzmann; Nicolai Jensen; Inger Søtofte; Carl Erik Olsen; Johan Springborg","Cobalt(II), Nickel(II), Copper(II), and Zinc(II) Complexes with [35]Adamanzane, 1,5,9,13-Tetraazabicyclo[7.7.3]nonadecane, and [(2.3)2.21]Adamanzane, 1,5,9,12-Tetraazabicyclo[7.5.2]hexadecane","Inorganic Chemistry","2001","40","","2323","2334","10.1021/ic0011157","","","0.71073","MoKα","","0.0853","0.0435","","0.0893","0.0765","","","","1.127","1.203","1.203","","","","","has coordinates,has disorder","179275","2020-10-21","18:00:00","" "4319598","27.468","0.006","10.663","0.002","13.552","0.003","90","","90","","90","","3969.3","1.4","120","2","120","2","","","","","","","","5","P c c a","-P 2a 2ac","54","","","","- C15 H32 N6 Ni O6 -","- C15 H32 N6 Ni O6 -","- C120 H256 N48 Ni8 O48 -","8","1","","Louise Broge; Ulla Pretzmann; Nicolai Jensen; Inger Søtofte; Carl Erik Olsen; Johan Springborg","Cobalt(II), Nickel(II), Copper(II), and Zinc(II) Complexes with [35]Adamanzane, 1,5,9,13-Tetraazabicyclo[7.7.3]nonadecane, and [(2.3)2.21]Adamanzane, 1,5,9,12-Tetraazabicyclo[7.5.2]hexadecane","Inorganic Chemistry","2001","40","","2323","2334","10.1021/ic0011157","","","0.71073","MoKα","","0.2419","0.0977","","0.1671","0.1214","","","","1.081","1.325","1.325","","","","","has coordinates,has disorder","179275","2020-10-21","18:00:00","" "4319599","12.693","0.003","13.619","0.003","20.725","0.004","90","","90","","90","","3582.6","1.3","120","2","120","2","","","","","","","","5","I b c a","-I 2b 2c","73","","","","- C15 H32 Cl2 N4 Ni -","- C15 H32 Cl2 N4 Ni -","- C120 H256 Cl16 N32 Ni8 -","8","0.5","","Louise Broge; Ulla Pretzmann; Nicolai Jensen; Inger Søtofte; Carl Erik Olsen; Johan Springborg","Cobalt(II), Nickel(II), Copper(II), and Zinc(II) Complexes with [35]Adamanzane, 1,5,9,13-Tetraazabicyclo[7.7.3]nonadecane, and [(2.3)2.21]Adamanzane, 1,5,9,12-Tetraazabicyclo[7.5.2]hexadecane","Inorganic Chemistry","2001","40","","2323","2334","10.1021/ic0011157","","","0.71073","MoKα","","0.1093","0.063","","0.11","0.0953","","","","1.131","1.211","1.211","","","","","has coordinates,has disorder","179275","2020-10-21","18:00:00","" "4319600","13.13","0.003","13.859","0.003","20.645","0.004","90","","90","","90","","3756.7","1.4","120","2","120","2","","","","","","","","5","I b c a","-I 2b 2c","73","","","","- C15 H32 Br2 N4 Ni -","- C15 H32 Br2 N4 Ni -","- C120 H256 Br16 N32 Ni8 -","8","0.5","","Louise Broge; Ulla Pretzmann; Nicolai Jensen; Inger Søtofte; Carl Erik Olsen; Johan Springborg","Cobalt(II), Nickel(II), Copper(II), and Zinc(II) Complexes with [35]Adamanzane, 1,5,9,13-Tetraazabicyclo[7.7.3]nonadecane, and [(2.3)2.21]Adamanzane, 1,5,9,12-Tetraazabicyclo[7.5.2]hexadecane","Inorganic Chemistry","2001","40","","2323","2334","10.1021/ic0011157","","","0.71073","MoKα","","0.041","0.0297","","0.0738","0.068","","","","1.099","1.126","1.126","","","","","has coordinates,has disorder","179276","2020-10-21","18:00:00","" "4319601","10.1453","0.0004","13.9663","0.0006","14.5922","0.0006","90","","90","","90","","2067.6","0.15","120","2","120","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C15 H32 Cl2 N4 Ni O8 -","- C15 H32 Cl2 N4 Ni O8 -","- C60 H128 Cl8 N16 Ni4 O32 -","4","1","","Louise Broge; Ulla Pretzmann; Nicolai Jensen; Inger Søtofte; Carl Erik Olsen; Johan Springborg","Cobalt(II), Nickel(II), Copper(II), and Zinc(II) Complexes with [35]Adamanzane, 1,5,9,13-Tetraazabicyclo[7.7.3]nonadecane, and [(2.3)2.21]Adamanzane, 1,5,9,12-Tetraazabicyclo[7.5.2]hexadecane","Inorganic Chemistry","2001","40","","2323","2334","10.1021/ic0011157","","","0.71073","MoKα","","0.0546","0.0362","","0.0698","0.0648","","","","1.015","1.048","1.048","","","","","has coordinates","179276","2020-10-21","18:00:00","" "4319602","12.738","0.003","13.675","0.003","20.674","0.004","90","","90","","90","","3601.2","1.4","120","2","120","2","","","","","","","","5","I b c a","-I 2b 2c","73","","","","- C15 H32 Cl2 Co N4 -","- C15 H32 Cl2 Co N4 -","- C120 H256 Cl16 Co8 N32 -","8","0.5","","Louise Broge; Ulla Pretzmann; Nicolai Jensen; Inger Søtofte; Carl Erik Olsen; Johan Springborg","Cobalt(II), Nickel(II), Copper(II), and Zinc(II) Complexes with [35]Adamanzane, 1,5,9,13-Tetraazabicyclo[7.7.3]nonadecane, and [(2.3)2.21]Adamanzane, 1,5,9,12-Tetraazabicyclo[7.5.2]hexadecane","Inorganic Chemistry","2001","40","","2323","2334","10.1021/ic0011157","","","0.71073","MoKα","","0.0439","0.0348","","0.0962","0.0896","","","","1.077","1.1","1.1","","","","","has coordinates,has disorder","179276","2020-10-21","18:00:00","" "4319603","14.0833","0.0002","11.9845","0.0002","12.6741","0.0001","90","","90","","90","","2139.15","0.05","120","2","120","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C15 H32 Cl4 Co N4 Zn -","- C15 H32 Cl4 Co N4 Zn -","- C60 H128 Cl16 Co4 N16 Zn4 -","4","1","","Louise Broge; Ulla Pretzmann; Nicolai Jensen; Inger Søtofte; Carl Erik Olsen; Johan Springborg","Cobalt(II), Nickel(II), Copper(II), and Zinc(II) Complexes with [35]Adamanzane, 1,5,9,13-Tetraazabicyclo[7.7.3]nonadecane, and [(2.3)2.21]Adamanzane, 1,5,9,12-Tetraazabicyclo[7.5.2]hexadecane","Inorganic Chemistry","2001","40","","2323","2334","10.1021/ic0011157","","","0.71073","MoKα","","0.0336","0.0305","","0.0818","0.08","","","","1.027","1.039","1.039","","","","","has coordinates","179276","2020-10-21","18:00:00","" "4319604","14.067","0.003","11.916","0.002","12.6","0.003","90","","90","","90","","2112","0.8","120","2","120","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C15 H32 Cl4 N4 Zn2 -","- C15 H32 Cl4 N4 Zn2 -","- C60 H128 Cl16 N16 Zn8 -","4","1","","Louise Broge; Ulla Pretzmann; Nicolai Jensen; Inger Søtofte; Carl Erik Olsen; Johan Springborg","Cobalt(II), Nickel(II), Copper(II), and Zinc(II) Complexes with [35]Adamanzane, 1,5,9,13-Tetraazabicyclo[7.7.3]nonadecane, and [(2.3)2.21]Adamanzane, 1,5,9,12-Tetraazabicyclo[7.5.2]hexadecane","Inorganic Chemistry","2001","40","","2323","2334","10.1021/ic0011157","","","0.71073","MoKα","","0.0246","0.0213","","0.0462","0.0451","","","","0.979","0.995","0.995","","","","","has coordinates","179276","2020-10-21","18:00:00","" "4319605","10.2524","0.0006","32.468","0.0018","14.6747","0.0008","90","","100.008","0.0009","90","","4810.5","0.5","153","2","153","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- Cs4 Se13 Ti3 -","- Cs4 Se13 Ti3 -","- Cs32 Se104 Ti24 -","8","4","","Fu Qiang Huang; James A. Ibers","Syntheses and Structures of the Infinite Chain Compounds Cs4Ti3Se13, Rb4Ti3S14, Cs4Ti3S14, Rb4Hf3S14, Rb4Zr3Se14, Cs4Zr3Se14, and Cs4Hf3Se14","Inorganic Chemistry","2001","40","","2346","2351","10.1021/ic0011260","","","0.71073","MoKα","","0.0543","0.0431","","","0.0913","0.0949","","","","","","1.077","","","","has coordinates","179276","2020-10-21","18:00:00","" "4319606","21.0848","0.0012","8.1169","0.0005","13.1992","0.0008","90","","112.835","0.001","90","","2081.9","0.2","153","2","153","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- Rb4 S14 Ti3 -","- Rb4 S14 Ti3 -","- Rb16 S56 Ti12 -","4","0.5","","Fu Qiang Huang; James A. Ibers","Syntheses and Structures of the Infinite Chain Compounds Cs4Ti3Se13, Rb4Ti3S14, Cs4Ti3S14, Rb4Hf3S14, Rb4Zr3Se14, Cs4Zr3Se14, and Cs4Hf3Se14","Inorganic Chemistry","2001","40","","2346","2351","10.1021/ic0011260","","","0.71073","MoKα","","0.0258","0.0211","","","0.0503","0.052","","","","","","0.88","","","","has coordinates","179276","2020-10-21","18:00:00","" "4319607","21.329","0.003","8.4146","0.001","13.6778","0.0016","90","","113.801","0.002","90","","2246","0.5","153","2","153","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- Cs4 S14 Ti3 -","- Cs4 S14 Ti3 -","- Cs16 S56 Ti12 -","4","0.5","","Fu Qiang Huang; James A. Ibers","Syntheses and Structures of the Infinite Chain Compounds Cs4Ti3Se13, Rb4Ti3S14, Cs4Ti3S14, Rb4Hf3S14, Rb4Zr3Se14, Cs4Zr3Se14, and Cs4Hf3Se14","Inorganic Chemistry","2001","40","","2346","2351","10.1021/ic0011260","","","0.71073","MoKα","","0.0252","0.0219","","","0.0543","0.0563","","","","","","1.006","","","","has coordinates","179276","2020-10-21","18:00:00","" "4319608","21.643","0.002","8.1848","0.0008","13.3308","0.0012","90","","111.762","0.002","90","","2193.2","0.4","153","2","153","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- Hf3 Rb4 S14 -","- Hf3 Rb4 S14 -","- Hf12 Rb16 S56 -","4","0.5","","Fu Qiang Huang; James A. Ibers","Syntheses and Structures of the Infinite Chain Compounds Cs4Ti3Se13, Rb4Ti3S14, Cs4Ti3S14, Rb4Hf3S14, Rb4Zr3Se14, Cs4Zr3Se14, and Cs4Hf3Se14","Inorganic Chemistry","2001","40","","2346","2351","10.1021/ic0011260","","","0.71073","MoKα","","0.0471","0.0366","","","0.0812","0.0844","","","","","","1.178","","","","has coordinates","179276","2020-10-21","18:00:00","" "4319609","22.605","0.007","8.552","0.003","13.88","0.004","90","","110.919","0.009","90","","2506.4","1.4","153","2","153","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- Rb4 Se14 Zr3 -","- Rb4 Se14 Zr3 -","- Rb16 Se56 Zr12 -","4","0.5","","Fu Qiang Huang; James A. Ibers","Syntheses and Structures of the Infinite Chain Compounds Cs4Ti3Se13, Rb4Ti3S14, Cs4Ti3S14, Rb4Hf3S14, Rb4Zr3Se14, Cs4Zr3Se14, and Cs4Hf3Se14","Inorganic Chemistry","2001","40","","2346","2351","10.1021/ic0011260","","","0.71073","MoKα","","0.0607","0.04","","","0.0863","0.0915","","","","","","1.039","","","","has coordinates","179276","2020-10-21","18:00:00","" "4319610","22.826","0.005","8.8411","0.0019","14.278","0.003","90","","111.456","0.004","90","","2681.7","1","153","2","153","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- Cs4 Se14 Zr3 -","- Cs4 Se14 Zr3 -","- Cs16 Se56 Zr12 -","4","0.5","","Fu Qiang Huang; James A. Ibers","Syntheses and Structures of the Infinite Chain Compounds Cs4Ti3Se13, Rb4Ti3S14, Cs4Ti3S14, Rb4Hf3S14, Rb4Zr3Se14, Cs4Zr3Se14, and Cs4Hf3Se14","Inorganic Chemistry","2001","40","","2346","2351","10.1021/ic0011260","","","0.71073","MoKα","","0.0726","0.0411","","","0.082","0.0896","","","","","","0.821","","","","has coordinates","179276","2020-10-21","18:00:00","" "4319611","22.758","0.005","8.8442","0.0018","14.276","0.003","90","","111.88","0.03","90","","2666.4","1.1","153","2","153","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- Cs4 Hf3 Se14 -","- Cs4 Hf3 Se14 -","- Cs16 Hf12 Se56 -","4","0.5","","Fu Qiang Huang; James A. Ibers","Syntheses and Structures of the Infinite Chain Compounds Cs4Ti3Se13, Rb4Ti3S14, Cs4Ti3S14, Rb4Hf3S14, Rb4Zr3Se14, Cs4Zr3Se14, and Cs4Hf3Se14","Inorganic Chemistry","2001","40","","2346","2351","10.1021/ic0011260","","","0.71073","MoKα","","0.0541","0.0468","","","0.1114","0.1134","","","","","","1.422","","","","has coordinates","179276","2020-10-21","18:00:00","" "4319612","6.456","0.007","20.235","0.004","20.242","0.003","90","","92.62","0.03","90","","2642","3","296.2","","","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C20 H10 F12 Mn N2 O4 S2 -","- C20 H10 F12 Mn N2 O4 S2 -","- C80 H40 F48 Mn4 N8 O16 S8 -","4","1","","Ryo Horikoshi; Tomoyuki Mochida; Hiroshi Moriyama","Coordination Polymers from M(hfac)2 [M = CuII, MnII] and 4,4'-Dipyridyldisulfide","Inorganic Chemistry","2001","40","","2430","2433","10.1021/ic001180g","","","0.7107","MoKα","","","0.0464","","","","0.138","","","","","","1.992","","","","has coordinates","176467","2020-10-21","18:00:00","" "4319613","7.934","0.006","16.029","0.006","20.394","0.005","90","","91.27","0.04","90","","2593","2","296.2","","","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C20 H10 Cu F12 N2 O4 S2 -","- C20 H10 Cu F12 N2 O4 S2 -","- C80 H40 Cu4 F48 N8 O16 S8 -","4","1","","Ryo Horikoshi; Tomoyuki Mochida; Hiroshi Moriyama","Coordination Polymers from M(hfac)2 [M = CuII, MnII] and 4,4'-Dipyridyldisulfide","Inorganic Chemistry","2001","40","","2430","2433","10.1021/ic001180g","","","0.7107","MoKα","","","0.0509","","","","0.1501","","","","","","2.179","","","","has coordinates","176467","2020-10-21","18:00:00","" "4319614","10.1319","0.0003","16.3454","0.0004","14.715","0.0002","90","","97.0564","0.0015","90","","2418.49","0.1","200","0.1","200","0.1","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C14 H29 Cl2 N3 O10 S2 Zn -","- C14 H29 Cl2 N3 O10 S2 Zn -","- C56 H116 Cl8 N12 O40 S8 Zn4 -","4","1","","Lisa M. Berreau; Magdalena M. Makowska-Grzyska; Atta M. Arif","Modeling the Active Site Chemistry of Liver Alcohol Dehydrogenase: Mononuclear Zinc Methanol and N,N-Dimethylformamide Complexes of a Nitrogen/Sulfur Ligand Possessing an Internal Hydrogen Bond Donor","Inorganic Chemistry","2001","40","","2212","2213","10.1021/ic001190h","","","0.71073","MoKα","","0.0497","0.0363","","","0.0847","0.0911","","","","","","1.025","","","","has coordinates,has disorder","179276","2020-10-21","18:00:00","" "4319615","9.5182","0.0003","11.343","0.0003","11.4818","0.0002","84.9683","0.0018","87.3436","0.0017","82.0546","0.0013","1222.26","0.05","200","1","200","1","","","","","","","","7","P -1","-P 1","2","","","","- C15 H28 Cl2 N4 O9 S2 Zn -","- C15 H28 Cl2 N4 O9 S2 Zn -","- C30 H56 Cl4 N8 O18 S4 Zn2 -","2","1","","Lisa M. Berreau; Magdalena M. Makowska-Grzyska; Atta M. Arif","Modeling the Active Site Chemistry of Liver Alcohol Dehydrogenase: Mononuclear Zinc Methanol and N,N-Dimethylformamide Complexes of a Nitrogen/Sulfur Ligand Possessing an Internal Hydrogen Bond Donor","Inorganic Chemistry","2001","40","","2212","2213","10.1021/ic001190h","","","0.71073","MoKα","","0.0508","0.0376","","","0.0891","0.0958","","","","","","1.029","","","","has coordinates","179276","2020-10-21","18:00:00","" "4319616","16.888","0.003","16.919","0.003","19.163","0.004","92.16","0.03","115.67","0.03","106.65","0.03","4644","2","180","2","180","2","","","","","","","","6","P -1","-P 1","2","Tris(Di(2-picolyl)(2-hydroxylato-3,5-di-tert-b","Tris(Di(2-picolyl)(2-hydroxylato-3,5-di-tert-b","","- C82 H106 Cl N9 O13 Zn3 -","- C82 H102 Cl N9 O13 Zn3 -","- C164 H204 Cl2 N18 O26 Zn6 -","2","1","","Alexander Trösch; Heinrich Vahrenkamp","A Sterically Hindered N,N,O Tripod Ligand and Its Zinc Complex Chemistry","Inorganic Chemistry","2001","40","","2305","2311","10.1021/ic001204j","","","0.71073","MoKα","","0.1224","0.0699","","","0.2072","0.238","","","","","","0.994","","","","has coordinates","179276","2020-10-21","18:00:00","" "4319617","9.0678","0.0018","11.821","0.002","14.966","0.003","90.22","0.03","105.06","0.03","91.75","0.03","1548.3","0.6","180","2","180","2","","","","","","","","5","P -1","-P 1","2","Di(2-picolyl)(2-hydroxylato-3,5-di-tert-butyl-benzyl)amin-zink-acetat","Di(2-picolyl)(2-hydroxylato-3,5-di-tert-butyl-benzyl)amin-zink-acetat","","- C29 H37 N3 O3 Zn -","- C29 H37 N3 O3 Zn -","- C58 H74 N6 O6 Zn2 -","2","1","","Alexander Trösch; Heinrich Vahrenkamp","A Sterically Hindered N,N,O Tripod Ligand and Its Zinc Complex Chemistry","Inorganic Chemistry","2001","40","","2305","2311","10.1021/ic001204j","","","0.71073","MoKα","","0.0596","0.0461","","","0.1225","0.1294","","","","","","1.097","","","","has coordinates,has disorder","179276","2020-10-21","18:00:00","" "4319618","11.773","0.002","15.167","0.003","23.19","0.005","89.71","0.03","77.79","0.03","86.11","0.03","4037.7","1.4","293","2","200","2","","","","","","","","6","P -1","-P 1","2","Di(2-picolyl)(2-hydroxylato-3,5-di-tert-butyl-","Di(2-picolyl)(2-hydroxylato-3,5-di-tert-butyl-","","- C84 H100 N6 O12 P2 Zn2 -","- C84 H100 N6 O12 P2 Zn2 -","- C168 H200 N12 O24 P4 Zn4 -","2","1","","Alexander Trösch; Heinrich Vahrenkamp","A Sterically Hindered N,N,O Tripod Ligand and Its Zinc Complex Chemistry","Inorganic Chemistry","2001","40","","2305","2311","10.1021/ic001204j","","","0.71073","MoKα","","0.1328","0.0575","","","0.1497","0.1925","","","","","","0.988","","","","has coordinates","179276","2020-10-21","18:00:00","" "4319619","9.8136","0.0009","14.2241","0.0012","21.7074","0.0019","90","","90","","90","","3030.1","0.5","180","2","180","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","Di(2-picolyl)(2-hydroxylato-3,5-di-tert-butyl-","Di(2-picolyl)(2-hydroxylato-3,5-di-tert-butyl-","","- C33 H38 N4 O4 Zn -","- C33 H38 N4 O4 Zn -","- C132 H152 N16 O16 Zn4 -","4","1","","Alexander Trösch; Heinrich Vahrenkamp","A Sterically Hindered N,N,O Tripod Ligand and Its Zinc Complex Chemistry","Inorganic Chemistry","2001","40","","2305","2311","10.1021/ic001204j","","","0.71073","MoKα","","0.0393","0.0292","","","0.0508","0.0523","","","","","","0.803","","","","has coordinates","179276","2020-10-21","18:00:00","" "4319620","14.036","0.003","16.536","0.003","15.659","0.003","90","","107.89","0.03","90","","3458.7","1.3","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","Di(2-picolyl)(2-hydroxylato-3,5-di-tert-butyl-","Di(2-picolyl)(2-hydroxylato-3,5-di-tert-butyl-","","- C38 H47 N3 O4 Zn -","- C38 H47 N3 O4 Zn -","- C152 H188 N12 O16 Zn4 -","4","1","","Alexander Trösch; Heinrich Vahrenkamp","A Sterically Hindered N,N,O Tripod Ligand and Its Zinc Complex Chemistry","Inorganic Chemistry","2001","40","","2305","2311","10.1021/ic001204j","","","0.71073","MoKα","","0.0881","0.0438","","","0.106","0.1252","","","","","","1.031","","","","has coordinates","179276","2020-10-21","18:00:00","" "4319621","14.553","0.003","16.121","0.003","16.251","0.003","90","","111.73","0.03","90","","3541.7","1.4","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","Di(2-picolyl)(2-hydroxylato-3,5-di-tert-butyl-","Di(2-picolyl)(2-hydroxylato-3,5-di-tert-butyl-","","- C37 H47 N3 O4 Zn -","- C37 H47 N3 O4 Zn -","- C148 H188 N12 O16 Zn4 -","4","1","","Alexander Trösch; Heinrich Vahrenkamp","A Sterically Hindered N,N,O Tripod Ligand and Its Zinc Complex Chemistry","Inorganic Chemistry","2001","40","","2305","2311","10.1021/ic001204j","","","0.71073","MoKα","","0.1723","0.0801","","","0.2052","0.2677","","","","","","1.027","","","","has coordinates","179276","2020-10-21","18:00:00","" "4319622","12.072","0.002","41.445","0.008","14.386","0.003","90","","94.94","0.03","90","","7171","2","293","2","200","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","(Di(2-picolyl)(2-hydroxylato-3,5-di-tert-butyl","(Di(2-picolyl)(2-hydroxylato-3,5-di-tert-butyl","","- C62 H94 Cl2 N6 O17 Zn2 -","- C62 H86 Cl2 N6 O17 Zn2 -","- C248 H344 Cl8 N24 O68 Zn8 -","4","1","","Alexander Trösch; Heinrich Vahrenkamp","A Sterically Hindered N,N,O Tripod Ligand and Its Zinc Complex Chemistry","Inorganic Chemistry","2001","40","","2305","2311","10.1021/ic001204j","","","0.71073","MoKα","","0.1889","0.0814","","","0.2261","0.2968","","","","","","1.03","","","","has coordinates","179276","2020-10-21","18:00:00","" "4319623","9.1085","0.0007","11.418","0.001","15.092","0.003","90","","90","","90","","1569.6","0.4","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- Mo5.3 O10 Sr Ti0.7 -","- Mo5.299 O10 Sr Ti0.701 -","- Mo42.392 O80 Sr8 Ti5.608 -","8","1","","J. Tortelier; P. Gougeon; R. Gautier; R. Berjoan","MTi0.7Mo0.3Mo5O10 (M = Sr, Eu), First Evidence of Mono- and Bicapped Bioctahedral Mo11and Mo12 Clusters: Synthesis, Crystal Structures, and Physical Properties","Inorganic Chemistry","2001","40","","2292","2297","10.1021/ic001209g","","","0.71073","MoKα","","0.0919","0.0357","","","0.0682","0.0771","","","","","","1.025","","","","has coordinates","176467","2020-10-21","18:00:00","" "4319624","9.1069","0.0007","11.421","0.002","15.075","0.001","90","","90","","90","","1567.9","0.3","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- Eu Mo5.3 O10 Ti0.7 -","- Eu Mo5.302 O10 Ti0.698 -","- Eu8 Mo42.416 O80 Ti5.584 -","8","1","","J. Tortelier; P. Gougeon; R. Gautier; R. Berjoan","MTi0.7Mo0.3Mo5O10 (M = Sr, Eu), First Evidence of Mono- and Bicapped Bioctahedral Mo11and Mo12 Clusters: Synthesis, Crystal Structures, and Physical Properties","Inorganic Chemistry","2001","40","","2292","2297","10.1021/ic001209g","","","0.71073","MoKα","","0.0466","0.0347","","","0.0843","0.0868","","","","","","1.278","","","","has coordinates","176467","2020-10-21","18:00:00","" "4319625","14.424","0.003","24.772","0.005","18.473","0.004","90","","107.88","0.03","90","","6282","3","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C115 H121 Ga2 K N16 O18 -","- C125.5 H121 Ga2 K N16 O21 -","- C251 H242 Ga4 K2 N32 O42 -","2","1","","Robert M. Yeh; Marco Ziegler; Darren W. Johnson; Andreas J. Terpin; Kenneth N. Raymond","Imposition of Chirality in a Dinuclear Triple-Stranded Helicate by Ion Pair Formation1","Inorganic Chemistry","2001","40","","2216","2217","10.1021/ic001215c","","","0.71073","MoKα","","0.1265","0.0933","","","0.2282","0.2426","","","","","","1.528","","","","has coordinates","176467","2020-10-21","18:00:00","" "4319626","3.8234","0.0008","10.147","0.002","13.195","0.003","90","","94.92","0.03","90","","510.03","0.19","173","2","173","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","bmtz","3,6-bis(2'-pyrimidyl)-1,2,4,5-tetrazine","","- C10 H6 N8 -","- C10 H6 N8 -","- C20 H12 N16 -","2","0.5","","Markus Glöckle; Klaus Hübler; Hans-Jürgen Kümmerer; Gert Denninger; Wolfgang Kaim","Dicopper(I) Complexes with Reduced States of 3,6-Bis(2'-pyrimidyl)-1,2,4,5-tetrazine: Crystal Structures and Spectroscopic Properties of the Free Ligand, a Radical Species, and a Complex of the 1,4-Dihydro Form","Inorganic Chemistry","2001","40","","2263","2269","10.1021/ic001228q","","","0.71073","MoKα","","0.0548","0.0426","","","0.1176","0.1334","","","","","","1.052","","","","has coordinates","192782","2020-10-21","18:00:00","" "4319627","26.215","0.007","22.122","0.006","18.114","0.005","90","","133.506","0.014","90","","7619","4","173","2","173","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","{(mu-bmtz)[Cu(Ph3)2]2}(BF4) . 2 CH2Cl2","(mu-(3,6-bis(2'-pyrimidyl)-1,2,4,5-tetrazine))bis[bis(triphenylphosphane) copper(I)] tetrafluoroborate-di-dichloromethane solvate","","- C84 H70 B Cl4 Cu2 F4 N8 P4 -","- C84 H70 B Cl4 Cu2 F4 N8 P4 -","- C336 H280 B4 Cl16 Cu8 F16 N32 P16 -","4","0.5","","Markus Glöckle; Klaus Hübler; Hans-Jürgen Kümmerer; Gert Denninger; Wolfgang Kaim","Dicopper(I) Complexes with Reduced States of 3,6-Bis(2'-pyrimidyl)-1,2,4,5-tetrazine: Crystal Structures and Spectroscopic Properties of the Free Ligand, a Radical Species, and a Complex of the 1,4-Dihydro Form","Inorganic Chemistry","2001","40","","2263","2269","10.1021/ic001228q","","","0.71073","MoKα","","0.1495","0.0763","","","0.1741","0.2168","","","","","","1.008","","","","has coordinates,has disorder","192782","2020-10-21","18:00:00","" "4319628","10.948","0.002","12.067","0.002","30.287","0.006","93.82","0.03","94.46","0.03","101.6","0.03","3893.7","1.3","173","2","173","2","","","","","","","","8","P -1","-P 1","2","{(mu-H2bmtz)[Cu(Ph3)2]2}(BF4)2 . CH2Cl2","(mu-(1,4-dihydro-3,6-bis(2'-pyrimidyl)-1,2,4,5-tetrazine)) bis[bis(triphenylphosphane)copper(I)] bis(tetrafluoroborate)-dichloromethane solvate","","- C83 H70 B2 Cl2 Cu2 F8 N8 P4 -","- C83 H70 B2 Cl2 Cu2 F8 N8 P4 -","- C166 H140 B4 Cl4 Cu4 F16 N16 P8 -","2","1","","Markus Glöckle; Klaus Hübler; Hans-Jürgen Kümmerer; Gert Denninger; Wolfgang Kaim","Dicopper(I) Complexes with Reduced States of 3,6-Bis(2'-pyrimidyl)-1,2,4,5-tetrazine: Crystal Structures and Spectroscopic Properties of the Free Ligand, a Radical Species, and a Complex of the 1,4-Dihydro Form","Inorganic Chemistry","2001","40","","2263","2269","10.1021/ic001228q","","","0.71073","MoKα","","0.145","0.0763","","","0.164","0.1952","","","","","","1.196","","","","has coordinates,has disorder","192782","2020-10-21","18:00:00","" "4319629","12.595","0.003","12.931","0.003","28.781","0.007","90.93","0.02","94.22","0.03","94.7","0.02","4657.8","1.9","213","2","213","2","","","","","","","synthesized","7","P -1","-P 1","2","","","","- C95 H101 Cl2 Mo4 N12 O16 W -","- C95 H90 Cl2 Mo4 N12 O16 W -","- C190 H180 Cl4 Mo8 N24 O32 W2 -","2","1","","F. Albert Cotton; James P. Donahue; Carlos A. Murillo","Quadridentate Bridging EO~4~^2-^ (E = S, Mo, W) Ligands and Their Role as Electronic Bridges","Inorganic Chemistry","2001","40","","2229","2233","10.1021/ic0012470","","","0.71073","MoKα","","0.0936","0.0789","","0.189","0.1728","","","","1.108","1.095","1.095","","","","","has coordinates,has disorder","179276","2020-10-21","18:00:00","" "4319630","15.224","0.004","17.86","0.006","20.03","0.005","87.83","0.02","79.721","0.014","69.758","0.014","5026","3","213","2","213","2","","","","","","","synthesized","7","P -1","-P 1","2","","","","- C98 H108 Cl4 Mo4 N12 O16 S -","- C97.99 H92 Cl4 Mo4 N12 O16 S -","- C195.98 H184 Cl8 Mo8 N24 O32 S2 -","2","1","","F. Albert Cotton; James P. Donahue; Carlos A. Murillo","Quadridentate Bridging EO~4~^2-^ (E = S, Mo, W) Ligands and Their Role as Electronic Bridges","Inorganic Chemistry","2001","40","","2229","2233","10.1021/ic0012470","","","0.71073","MoKα","","0.0867","0.0698","","0.1905","0.1671","","","","1.109","1.093","1.093","","","","","has coordinates,has disorder","179276","2020-10-21","18:00:00","" "4319631","12.606","0.005","12.946","0.006","28.658","0.009","91.02","0.04","94.18","0.03","94.6","0.03","4648","3","213","2","213","2","","","","","","","synthesized","6","P -1","-P 1","2","","","","- C95 H101 Cl2 Mo5 N12 O16 -","- C95 H90 Cl2 Mo5 N12 O16 -","- C190 H180 Cl4 Mo10 N24 O32 -","2","1","","F. Albert Cotton; James P. Donahue; Carlos A. Murillo","Quadridentate Bridging EO~4~^2-^ (E = S, Mo, W) Ligands and Their Role as Electronic Bridges","Inorganic Chemistry","2001","40","","2229","2233","10.1021/ic0012470","","","0.71073","MoKα","","0.0819","0.0641","","0.1535","0.1354","","","","1.113","1.111","1.111","","","","","has coordinates,has disorder","179276","2020-10-21","18:00:00","" "4319632","11.669","0.003","9.844","0.002","8.917","0.002","90","","91.583","0.005","90","","1023.9","0.4","171","2","171","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- Eu K2 Se5 Si -","- Eu K2 Se5 Si -","- Eu4 K8 Se20 Si4 -","4","1","","Evenson; Peter K. Dorhout","Synthesis and Characterization of Four New Europium Group XIV Chalcogenides: K2EuTSe5 and KEuTS4(T = Si, Ge)","Inorganic Chemistry","2001","40","","2409","2414","10.1021/ic001248s","","","0.71073","MoKα","","0.0733","0.0519","","","0.1138","0.1206","","","","","","1.01","","","","has coordinates","179276","2020-10-21","18:00:00","" "4319633","11.8056","0.0003","9.963","0.0001","8.9456","0.0001","90","","91.195","0.001","90","","1051.95","0.03","167","2","167","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- Eu Ge K2 Se5 -","- Eu Ge K2 Se5 -","- Eu4 Ge4 K8 Se20 -","4","1","","Evenson; Peter K. Dorhout","Synthesis and Characterization of Four New Europium Group XIV Chalcogenides: K2EuTSe5 and KEuTS4(T = Si, Ge)","Inorganic Chemistry","2001","40","","2409","2414","10.1021/ic001248s","","","0.71073","MoKα","","0.0689","0.0436","","0.0913","0.0831","","","","0.934","1.004","1.004","","","","","has coordinates","179276","2020-10-21","18:00:00","" "4319634","6.426","0.004","6.582","0.005","8.566","0.007","90","","107.83","0.06","90","","344.9","0.5","170","2","170","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- Eu K S4 Si -","- Eu K S4 Si -","- Eu2 K2 S8 Si2 -","2","1","","Evenson; Peter K. Dorhout","Synthesis and Characterization of Four New Europium Group XIV Chalcogenides: K2EuTSe5 and KEuTS4(T = Si, Ge)","Inorganic Chemistry","2001","40","","2409","2414","10.1021/ic001248s","","","0.71073","MoKα","","0.0483","0.0471","","0.1335","0.125","","","","1.152","1.1","1.1","","","","","has coordinates","179276","2020-10-21","18:00:00","" "4319635","6.51","0.002","6.649","0.002","8.603","0.003","90","","107.8","0.02","90","","354.6","0.2","167","2","167","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- Eu Ge K S4 -","- Eu Ge K S4 -","- Eu2 Ge2 K2 S8 -","2","1","","Evenson; Peter K. Dorhout","Synthesis and Characterization of Four New Europium Group XIV Chalcogenides: K2EuTSe5 and KEuTS4(T = Si, Ge)","Inorganic Chemistry","2001","40","","2409","2414","10.1021/ic001248s","","","0.71073","MoKα","","0.0356","0.0346","","0.0862","0.0857","","","","1.051","1.064","1.064","","","","","has coordinates","179276","2020-10-21","18:00:00","" "4319636","12.763","0.002","10.989","0.002","18.517","0.003","90","","91.068","0.003","90","","2596.6","0.8","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C32 H64 Cl12 Li2 Nb4 O8 -","- C32 H64 Cl12 Li2 Nb4 O8 -","- C64 H128 Cl24 Li4 Nb8 O16 -","2","0.5","","Maryam Tayebani; Ghazar Aharonian; Khalil Feghali; Sandro Gambarotta; Glenn P. A. Yap","Preparation and Characterization of a Tetranuclear and Mixed-Valence Nb(II)/Nb(III) Diamagnetic Nb4Cl12Li2(THF)8 Cluster","Inorganic Chemistry","2001","40","","2442","2445","10.1021/ic001253w","","","0.71073","MoKα","","0.1967","0.0625","","","0.0675","0.0809","","","","","","1.014","","","","has coordinates","179276","2020-10-21","18:00:00","" "4319637","8.0392","0.0015","9.9467","0.0018","10.4353","0.0019","66.655","0.003","88.87","0.003","83.702","0.003","761.3","0.2","203","2","203","2","","","","","","","","7","P -1","-P 1","2","para-t-butylphenylthiaphospahzene","","","- C10 H13 F4 N3 O P2 S -","- C10 H13 F4 N3 O P2 S -","- C20 H26 F8 N6 O2 P4 S2 -","2","1","","Anil J. Elias; Brendan Twamley; Jean'ne M. Shreeve","Syntheses and Reactions of the Fluorinated Cyclic Thionylphosphazene NSO(Ar)[NPF2]2 (Ar = 4-t-BuC6H4-) with Difunctional Reagents","Inorganic Chemistry","2001","40","","2287","2291","10.1021/ic001295k","","","0.71073","MoKα","","0.1078","0.0687","","","0.1495","0.1693","","","","","","1.031","","","","has coordinates,has disorder","179276","2020-10-21","18:00:00","" "4319638","8.5112","0.001","10.1847","0.0012","11.3687","0.0013","111.302","0.002","98.453","0.002","101.392","0.002","873.87","0.18","203","2","203","2","","","","","","","","7","P -1","-P 1","2","ansa-thionylphosphazene","","","- C13 H19 F2 N3 O3 P2 S -","- C13 H19 F2 N3 O3 P2 S -","- C26 H38 F4 N6 O6 P4 S2 -","2","1","","Anil J. Elias; Brendan Twamley; Jean'ne M. Shreeve","Syntheses and Reactions of the Fluorinated Cyclic Thionylphosphazene NSO(Ar)[NPF2]2 (Ar = 4-t-BuC6H4-) with Difunctional Reagents","Inorganic Chemistry","2001","40","","2287","2291","10.1021/ic001295k","","","0.71073","MoKα","","0.071","0.0561","","","0.1246","0.1336","","","","","","1.055","","","","has coordinates,has disorder","179276","2020-10-21","18:00:00","" "4319639","11.2365","0.0004","19.9298","0.0008","19.0368","0.0007","90","","90.905","0.001","90","","4262.6","0.3","223","2","223","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C45 H34 Cl3 F4 N8 Ru2 -","- C45 H34 Cl3 F4 N8 Ru2 -","- C180 H136 Cl12 F16 N32 Ru8 -","4","1","","John L. Bear; Julien Wellhoff; Guy Royal; Eric Van Caemelbecke; Sonia Eapen; Karl M. Kadish","Syntheses, Structural Determination, and Electrochemistry of Ru2(Fap)4Cl and Ru2(Fap)4(NO)Cl","Inorganic Chemistry","2001","40","","2282","2286","10.1021/ic001315i","","","0.71073","MoKα","","0.0316","0.0229","","","0.0587","0.0644","","","","","","1.04","","","","has coordinates,has disorder","179276","2020-10-21","18:00:00","" "4319640","10.0468","0.0006","18.8091","0.001","41.7615","0.0023","90","","90","","90","","7891.7","0.8","223","2","223","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C44 H32 Cl F4 N9 O Ru2 -","- C44 H32 Cl F4 N9 O Ru2 -","- C352 H256 Cl8 F32 N72 O8 Ru16 -","8","1","","John L. Bear; Julien Wellhoff; Guy Royal; Eric Van Caemelbecke; Sonia Eapen; Karl M. Kadish","Syntheses, Structural Determination, and Electrochemistry of Ru2(Fap)4Cl and Ru2(Fap)4(NO)Cl","Inorganic Chemistry","2001","40","","2282","2286","10.1021/ic001315i","","","0.71073","MoKα","","0.0792","0.0456","","","0.1055","0.132","","","","","","1.231","","","","has coordinates","176467","2020-10-21","18:00:00","" "4319641","10.423","0.0005","16.1561","0.0008","17.4676","0.0009","90","","92.267","0.001","90","","2939.2","0.3","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C20 H43 Cl2 Co N6 O10 -","- C20 H43 Cl2 Co N6 O10 -","- C80 H172 Cl8 Co4 N24 O40 -","4","1","","Ilia A. Guzei; Andreja Bakac","Macrocyclic Hydroperoxocobalt(III) Complex: Photochemistry, Spectroscopy, and Crystal Structure","Inorganic Chemistry","2001","40","","2390","2393","10.1021/ic001391l","","","0.71073","MoKα","","0.0664","0.0534","","","0.1373","0.1437","","","","","","1.079","","","","has coordinates","179276","2020-10-21","18:00:00","" "4319642","10.6029","0.0006","13.8831","0.0007","12.5583","0.0004","90","","92.173","0.003","90","","1847.27","0.15","293","2","293","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","trisethyelenediaminecobal(III) borophosphate","","","- C6 H26 B2 Co N6 O13 P3 -","- C6 H26 B2 Co N6 O13 P3 -","- C24 H104 B8 Co4 N24 O52 P12 -","4","0.5","","Guo-Yu Yang; Slavi C. Sevov","[Co(en)3][B2P3O11(OH)2]: A Novel Borophosphate Templated by a Transition-Metal Complex","Inorganic Chemistry","2001","40","","2214","2215","10.1021/ic001397a","","","0.71073","MoKα","","0.0399","0.0324","","","0.0942","0.0998","","","","","","1.082","","","","has coordinates","179276","2020-10-21","18:00:00","" "4319643","13.3994","0.0014","13.3994","0.0014","10.5933","0.0016","90","","90","","120","","1647.1","0.3","293","2","293","2","","","","","","","","6","P -3","-P 3","147","","","","- C78 H78 Cl2 Co N12 O8 -","- C78 H78 Cl2 Co N12 O8 -","- C78 H78 Cl2 Co N12 O8 -","1","0.166667","","Cheng-Yong Su; Yue-Peng Cai; Chun-Long Chen; Bei-Sheng Kang","Unusual Noninterpenetrating (3,6) Topological Network Assembled by Semirigid Benzimidazole-Based Bridging Ligand","Inorganic Chemistry","2001","40","","2210","2211","10.1021/ic0014282","","","0.71073","MoKα","","0.1273","0.0591","","","0.1527","0.1857","","","","","","1","","","","has coordinates","179276","2020-10-21","18:00:00","" "4319644","14.1735","0.0002","16.5827","0.0001","16.5985","0.0002","71.101","0.001","75.844","0.001","68.908","0.001","3407.24","0.07","176","2","176","2","","","","","","","","5","P -1","-P 1","2","","","","- C32 H34 Cu N2 O4 -","- C32 H34 Cu N2 O4 -","- C128 H136 Cu4 N8 O16 -","4","2","","G. A. Abakumov; V. K. Cherkasov; V. I. Nevodchikov; V. A. Kuropatov; G. T. Yee; C. G. Pierpont","Magnetic Properties and Redox Isomerism for 4,4'-Bis(semiquinone) Complexes of Copper","Inorganic Chemistry","2001","40","","2434","2436","10.1021/ic001449w","","","0.71073","MoKα","","0.1513","0.0613","","0.1591","0.114","","","","0.927","1.059","1.059","","","","","has coordinates","179276","2020-10-21","18:00:00","" "4319645","13.4571","0.0015","13.4571","0.0015","13.724","0.002","90","","90","","90","","2485.3","0.5","203","2","203","2","","","","","","","","6","P -4 21 c","P -4 2n","114","","copmpound 1","","- C18 H32 Cl2 N2 Si2 Ti2 -","- C18 H32 Cl2 N2 Si2 Ti2 -","- C72 H128 Cl8 N8 Si8 Ti8 -","4","0.5","","Guangcai Bai; Herbert W. Roesky; Haijun Hao; Mathias Noltemeyer; Hans-Georg Schmidt","Synthesis of the Titanium Compound [(MeC5H4)TiCl(μ-NSiMe3)]2 with Migration of a SiMe3 Group and Preparation of Cp2ZrCl(η2-NHNCHSiMe3}","Inorganic Chemistry","2001","40","","2424","2426","10.1021/ic010007x","","","0.71073","MoKα","","0.0312","0.0304","","0.0804","0.0779","","","","1.123","1.116","1.116","","","","","has coordinates","179276","2020-10-21","18:00:00","" "4319646","13.053","0.0013","17.627","0.003","10.477","0.002","90","","109.425","0.012","90","","2273.4","0.6","203","2","203","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","compound 2","","- C21 H29 Cl N2 Si Zr -","- C21 H29 Cl N2 Si Zr -","- C84 H116 Cl4 N8 Si4 Zr4 -","4","1","","Guangcai Bai; Herbert W. Roesky; Haijun Hao; Mathias Noltemeyer; Hans-Georg Schmidt","Synthesis of the Titanium Compound [(MeC5H4)TiCl(μ-NSiMe3)]2 with Migration of a SiMe3 Group and Preparation of Cp2ZrCl(η2-NHNCHSiMe3}","Inorganic Chemistry","2001","40","","2424","2426","10.1021/ic010007x","","","0.71073","MoKα","","0.0334","0.0305","","0.082","0.0772","","","","1.052","1.046","1.046","","","","","has coordinates","179276","2020-10-21","18:00:00","" "4319647","9.6397","0.0012","10.441","0.0013","18.381","0.002","102.148","0.015","94.667","0.015","107.402","0.014","1705","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","Dicarbonyl-cis-dihydrido-trans-bis(triphenylphosphite)iron(II)","","- C38 H32 Fe O8 P2 -","- C38 H32 Fe O8 P2 -","- C76 H64 Fe2 O16 P4 -","2","1","","Vladimir Arion; Jean-Jacques Brunet; Denis Neibecker","Crystal Structure, Mössbauer Spectra, and Thermal Behavior of H2Fe(CO)2[P(OPh)3]2","Inorganic Chemistry","2001","40","","2628","2630","10.1021/ic0006899","","","0.71073","MoKα","","0.0374","0.0269","","","0.0686","0.0721","","","","","","1.023","","","","has coordinates","179276","2020-10-21","18:00:00","" "4319648","11.186","0.0009","9.3633","0.001","16.1673","0.0011","90","","93.09","0.007","90","","1690.9","0.3","294","2","294","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C9 H28 B9 P -","- C9 H28 B9 P -","- C36 H112 B36 P4 -","4","1","","Francesc Teixidor; Rosario Núñez; Clara Viñas; Reijo Sillanpää; Raikko Kivekäs","Contribution of the nido-[7,8-C~2~B~9~H~10~]^-^ Anion to the Chemical Stability, Basicity, and ^31^P NMR Chemical Shift in nido-o-Carboranylmonophosphines","Inorganic Chemistry","2001","40","","2587","2594","10.1021/ic000858p","","","0.71069","MoKα","","0.0596","0.039","","","0.099","0.1085","","","","","","1.031","","","","has coordinates","179276","2020-10-21","18:00:00","" "4319649","13.884","0.007","21.485","0.004","13.404","0.007","90","","90","","90","","3998","3","294","2","294","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C36 H61 B9 N O P -","- C36 H61 B9 N O P -","- C144 H244 B36 N4 O4 P4 -","4","1","","Francesc Teixidor; Rosario Núñez; Clara Viñas; Reijo Sillanpää; Raikko Kivekäs","Contribution of the nido-[7,8-C~2~B~9~H~10~]^-^ Anion to the Chemical Stability, Basicity, and ^31^P NMR Chemical Shift in nido-o-Carboranylmonophosphines","Inorganic Chemistry","2001","40","","2587","2594","10.1021/ic000858p","","","0.71069","MoKα","","0.2505","0.0752","","","0.1478","0.1987","","","","","","0.967","","","","has coordinates,has disorder","179276","2020-10-21","18:00:00","" "4319650","22.761","0.002","29.584","0.002","40.844","0.003","90","","102.213","0.003","90","","26880","4","296","2","296","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C265.5 H209 N3 Ni9 O46 P10 Pd33 -","- C265.5 H209 N3 Ni9 O46 P10 Pd33 -","- C1062 H836 N12 Ni36 O184 P40 Pd132 -","4","0.5","","Masaki Kawano; Jeffrey W. Bacon; Charles F. Campana; Brian E. Winger; James D. Dudek; Scott A. Sirchio; Sabrina L. Scruggs; Urs Geiser; Lawrence F. Dahl","High-Nuclearity Close-Packed Palladium-Nickel Carbonyl Phosphine Clusters: Heteropalladium [Pd16Ni4(CO)22(PPh3)4]2- and [Pd33Ni9(CO)41(PPh3)6]4- Containing Pseudo-Tdccp Pd16Ni4 and Pseudo-D3 hhcp Pd33Ni9 Cores","Inorganic Chemistry","2001","40","","2554","2569","10.1021/ic000979p","","","0.71073","MoKα","","0.1193","0.0882","","0.1714","0.1536","","","","1.288","1.389","1.389","","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00","" "4319651","18.5409","0.0004","28.0697","0.0006","30.2282","0.0007","90","","90","","90","","15731.9","0.6","133","2","133","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C154.78 H124.85 N2 Ni4 O24.28 P6 Pd16 -","- C154.85 H125 N2 Ni4 O24.3 P6 Pd16 -","- C619.4 H500 N8 Ni16 O97.2 P24 Pd64 -","4","1","","Masaki Kawano; Jeffrey W. Bacon; Charles F. Campana; Brian E. Winger; James D. Dudek; Scott A. Sirchio; Sabrina L. Scruggs; Urs Geiser; Lawrence F. Dahl","High-Nuclearity Close-Packed Palladium-Nickel Carbonyl Phosphine Clusters: Heteropalladium [Pd16Ni4(CO)22(PPh3)4]2- and [Pd33Ni9(CO)41(PPh3)6]4- Containing Pseudo-Tdccp Pd16Ni4 and Pseudo-D3 hhcp Pd33Ni9 Cores","Inorganic Chemistry","2001","40","","2554","2569","10.1021/ic000979p","","","0.71073","MoKα","","0.0742","0.0632","","0.1498","0.1406","","","","1.102","1.103","1.103","","","","","has coordinates,has disorder","179276","2020-10-21","18:00:00","" "4319652","14.1712","0.0001","23.8035","0.0002","18.8776","0.0001","90","","109.863","0.001","90","","5989.03","0.08","133","2","133","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C126 H102 O14 P6 Pd12 -","- C126 H102 O14 P6 Pd12 -","- C252 H204 O28 P12 Pd24 -","2","0.5","","Masaki Kawano; Jeffrey W. Bacon; Charles F. Campana; Brian E. Winger; James D. Dudek; Scott A. Sirchio; Sabrina L. Scruggs; Urs Geiser; Lawrence F. Dahl","High-Nuclearity Close-Packed Palladium-Nickel Carbonyl Phosphine Clusters: Heteropalladium [Pd16Ni4(CO)22(PPh3)4]2- and [Pd33Ni9(CO)41(PPh3)6]4- Containing Pseudo-Tdccp Pd16Ni4 and Pseudo-D3 hhcp Pd33Ni9 Cores","Inorganic Chemistry","2001","40","","2554","2569","10.1021/ic000979p","","","0.71073","MoKα","","0.0864","0.0499","","0.1046","0.0948","","","","0.936","1.07","1.07","","","","","has coordinates,has disorder","179276","2020-10-21","18:00:00","" "4319653","20.5934","0.0001","21.0563","0.0003","28.3899","0.0004","82.367","0.001","79.8","0.001","67.029","0.001","11127.5","0.2","188","2","188","2","","","","","","","","7","P -1","-P 1","2","","","","- C208 H154 N3 Ni0 O28 P9 Pd29 -","- C208 H154 N3 O28 P9 Pd29 -","- C416 H308 N6 O56 P18 Pd58 -","2","1","","Masaki Kawano; Jeffrey W. Bacon; Charles F. Campana; Brian E. Winger; James D. Dudek; Scott A. Sirchio; Sabrina L. Scruggs; Urs Geiser; Lawrence F. Dahl","High-Nuclearity Close-Packed Palladium-Nickel Carbonyl Phosphine Clusters: Heteropalladium [Pd16Ni4(CO)22(PPh3)4]2- and [Pd33Ni9(CO)41(PPh3)6]4- Containing Pseudo-Tdccp Pd16Ni4 and Pseudo-D3 hhcp Pd33Ni9 Cores","Inorganic Chemistry","2001","40","","2554","2569","10.1021/ic000979p","","","0.71073","MoKα","","0.145","0.1136","","0.2792","0.2404","","","","1.111","1.186","1.186","","","","","has coordinates,has disorder","179276","2020-10-21","18:00:00","" "4319654","17.648","0.003","10.0561","0.0014","13.1714","0.0019","90","","112.531","0.002","90","","2159.1","0.6","171","2","171","2","","","","","","","","7","C 1 2/m 1","-C 2y","12","Potassium sodium Dirheniumhexacarbonylhexatantalate","","","- C6 H20 K4 Na2 O35 Re2 Ta6 -","- C6 K4 Na2 O35 Re2 Ta6 -","- C12 K8 Na4 O70 Re4 Ta12 -","2","0.25","","Alexei V. Besserguenev; Michael H. Dickman; Michael T. Pope","Robust, Alkali-Stable, Triscarbonyl Metal Derivatives of Hexametalate Anions, [M6O19{M'(CO)3}n](8-n)- (M = Nb, Ta; M' = Mn, Re; n= 1, 2)","Inorganic Chemistry","2001","40","","2582","2586","10.1021/ic001031y","","","0.71073","MoKα","","0.0707","0.0588","","","0.1625","0.1764","","","","","","1.054","","","","has coordinates","179276","2020-10-21","18:00:00","" "4319655","17.724","0.001","10.0664","0.0006","13.1965","0.0007","90","","112.067","0.001","90","","2182","0.2","173","2","173","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","Potassium dirheniumhexacarbonylhexaniobate","","","- C6 H26 K6 Nb6 O38 Re2 -","- C6 K6 Nb6 O38 Re2 -","- C12 K12 Nb12 O76 Re4 -","2","0.25","","Alexei V. Besserguenev; Michael H. Dickman; Michael T. Pope","Robust, Alkali-Stable, Triscarbonyl Metal Derivatives of Hexametalate Anions, [M6O19{M'(CO)3}n](8-n)- (M = Nb, Ta; M' = Mn, Re; n= 1, 2)","Inorganic Chemistry","2001","40","","2582","2586","10.1021/ic001031y","","","0.71073","MoKα","","0.0324","0.0307","","","0.0817","0.0826","","","","","","1.07","","","","has coordinates","179276","2020-10-21","18:00:00","" "4319656","17.812","0.002","10.098","0.0014","13.1092","0.0018","90","","112.733","0.002","90","","2174.7","0.5","173","2","173","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","Potassium dimanganesehexacarbonylhexaniobate","","","- C6 H24 K6 Mn2 Nb6 O37 -","- C6 K6 Mn2 Nb6 O37 -","- C12 K12 Mn4 Nb12 O74 -","2","0.25","","Alexei V. Besserguenev; Michael H. Dickman; Michael T. Pope","Robust, Alkali-Stable, Triscarbonyl Metal Derivatives of Hexametalate Anions, [M6O19{M'(CO)3}n](8-n)- (M = Nb, Ta; M' = Mn, Re; n= 1, 2)","Inorganic Chemistry","2001","40","","2582","2586","10.1021/ic001031y","","","0.71073","MoKα","","0.0553","0.0484","","","0.1331","0.1388","","","","","","1.041","","","","has coordinates","179276","2020-10-21","18:00:00","" "4319657","10.2617","0.0006","13.4198","0.0008","21.4114","0.0012","72.738","0.001","85.591","0.001","83.501","0.001","2794.7","0.3","173","2","173","2","","","","","","","","6","P -1","-P 1","2","Potassium dimanganesehexacarbonylhexaniobate","","","- C6 H50 K6 Mn2 Nb6 O50 -","- C6 K5.2 Mn2 Nb6 O53.6 -","- C12 K10.4 Mn4 Nb12 O107.2 -","2","1","","Alexei V. Besserguenev; Michael H. Dickman; Michael T. Pope","Robust, Alkali-Stable, Triscarbonyl Metal Derivatives of Hexametalate Anions, [M6O19{M'(CO)3}n](8-n)- (M = Nb, Ta; M' = Mn, Re; n= 1, 2)","Inorganic Chemistry","2001","40","","2582","2586","10.1021/ic001031y","","","0.71073","MoKα","","0.0859","0.0583","","","0.1731","0.1927","","","","","","1.079","","","","has coordinates","179276","2020-10-21","18:00:00","" "4319658","21.8666","0.0019","10.3085","0.0009","26.78","0.002","90","","108.787","0.001","90","","5714.9","0.8","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","Potassium dirheniumhexacarbonylhexaniobate","","","- C6 H58 K6 Nb6 O54 Re2 -","- C6 K6 Nb6 O53.668 Re2 -","- C24 K24 Nb24 O214.672 Re8 -","4","1","","Alexei V. Besserguenev; Michael H. Dickman; Michael T. Pope","Robust, Alkali-Stable, Triscarbonyl Metal Derivatives of Hexametalate Anions, [M6O19{M'(CO)3}n](8-n)- (M = Nb, Ta; M' = Mn, Re; n= 1, 2)","Inorganic Chemistry","2001","40","","2582","2586","10.1021/ic001031y","","","0.71073","MoKα","","0.0648","0.0574","","","0.1622","0.1676","","","","","","1.09","","","","has coordinates","179276","2020-10-21","18:00:00","" "4319659","16.6542","0.0005","17.7629","0.0006","17.8328","0.0006","117.11","0.001","94.295","0.001","109.773","0.001","4250.5","0.2","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C192 H236 I2 N14 O4 Rh2 Sn -","- C192 H236 I2 N14 O4 Rh2 Sn -","- C192 H236 I2 N14 O4 Rh2 Sn -","1","0.5","","James E. Redman; Neil Feeder; Simon J. Teat; Jeremy K. M. Sanders","Rh(III) Porphyrins as Building Blocks for Porphyrin Coordination Arrays: From Dimers to Heterometallic Undecamers","Inorganic Chemistry","2001","40","","2486","2499","10.1021/ic001038f","","","0.6923","Synchrotron","","0.0828","0.0591","","","0.1788","0.1865","","","","","","1.083","","","","has coordinates,has disorder","179276","2020-10-21","18:00:00","" "4319660","14.4222","0.001","14.6677","0.001","16.5079","0.0011","93.492","0.002","110.978","0.002","93.249","0.002","3243","0.4","180","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C144 H182 I2 N12 Rh2 -","- C144 H182 I2 N12 Rh2 -","- C144 H182 I2 N12 Rh2 -","1","0.5","","James E. Redman; Neil Feeder; Simon J. Teat; Jeremy K. M. Sanders","Rh(III) Porphyrins as Building Blocks for Porphyrin Coordination Arrays: From Dimers to Heterometallic Undecamers","Inorganic Chemistry","2001","40","","2486","2499","10.1021/ic001038f","","","0.6923","Synchrotron","","0.0619","0.042","","","0.0978","0.1019","","","","","","1.017","","","","has coordinates","179276","2020-10-21","18:00:00","" "4319661","14.653","0.001","23.1722","0.0017","34.574","0.003","90","","96.673","0.005","90","","11659.8","1.6","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C64 H82 I N6 Rh -","- C64 H82 I N6 Rh -","- C512 H656 I8 N48 Rh8 -","8","2","","James E. Redman; Neil Feeder; Simon J. Teat; Jeremy K. M. Sanders","Rh(III) Porphyrins as Building Blocks for Porphyrin Coordination Arrays: From Dimers to Heterometallic Undecamers","Inorganic Chemistry","2001","40","","2486","2499","10.1021/ic001038f","","","0.6923","Synchrotron","","0.1536","0.1219","","","0.2761","0.2892","","","","","","1.075","","","","has coordinates,has disorder","179276","2020-10-21","18:00:00","" "4319662","14.8653","0.0008","34.7225","0.0018","23.6103","0.0012","90","","108.14","0.002","90","","11581","1.1","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C127 H166 Cl2 I2 N10 Rh2 -","- C127 H166 Cl2 I2 N10 Rh2 -","- C508 H664 Cl8 I8 N40 Rh8 -","4","1","","James E. Redman; Neil Feeder; Simon J. Teat; Jeremy K. M. Sanders","Rh(III) Porphyrins as Building Blocks for Porphyrin Coordination Arrays: From Dimers to Heterometallic Undecamers","Inorganic Chemistry","2001","40","","2486","2499","10.1021/ic001038f","","","0.6923","Synchrotron","","0.1561","0.1373","","","0.2755","0.2816","","","","","","1.214","","","","has coordinates,has disorder","179276","2020-10-21","18:00:00","" "4319663","12.833","0.004","14.638","0.005","14.986","0.005","91.099","0.005","107.205","0.005","97.343","0.006","2662.3","1.5","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C60 H76 I N4 Rh -","- C60 H76 I N4 Rh -","- C120 H152 I2 N8 Rh2 -","2","1","","James E. Redman; Neil Feeder; Simon J. Teat; Jeremy K. M. Sanders","Rh(III) Porphyrins as Building Blocks for Porphyrin Coordination Arrays: From Dimers to Heterometallic Undecamers","Inorganic Chemistry","2001","40","","2486","2499","10.1021/ic001038f","","","0.6923","","","0.1593","0.129","","","0.3187","0.3398","","","","","","1.111","","","","has coordinates,has disorder","179276","2020-10-21","18:00:00","" "4319664","11.9139","0.0005","16.7586","0.0007","28.6361","0.0011","104.284","0.001","98.309","0.001","91.661","0.001","5470.1","0.4","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C121 H154 I N9 O3 Rh -","- C121 H154 I N9 O3 Rh -","- C242 H308 I2 N18 O6 Rh2 -","2","1","","James E. Redman; Neil Feeder; Simon J. Teat; Jeremy K. M. Sanders","Rh(III) Porphyrins as Building Blocks for Porphyrin Coordination Arrays: From Dimers to Heterometallic Undecamers","Inorganic Chemistry","2001","40","","2486","2499","10.1021/ic001038f","","","0.6923","Synchrotron","","0.0617","0.0467","","","0.1249","0.1303","","","","","","1.029","","","","has coordinates,has disorder","179276","2020-10-21","18:00:00","" "4319665","15.0183","0.0002","29.6207","0.0005","29.2941","0.0005","90","","102.35","0.005","90","","12730","0.4","150","2","150","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C134.5 H160.5 Cl1.5 I2 N10 Rh2 -","- C134.5 H160.5 Cl1.5 I2 N10 Rh2 -","- C538 H642 Cl6 I8 N40 Rh8 -","4","1","","James E. Redman; Neil Feeder; Simon J. Teat; Jeremy K. M. Sanders","Rh(III) Porphyrins as Building Blocks for Porphyrin Coordination Arrays: From Dimers to Heterometallic Undecamers","Inorganic Chemistry","2001","40","","2486","2499","10.1021/ic001038f","","","0.6923","Synchrotron","","0.06","0.044","","","0.1146","0.1209","","","","","","1.053","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00","" "4319666","12.397","0.0004","14.848","0.0003","17.25","0.0006","94.758","0.0018","109.838","0.0013","90.486","0.0018","2974.22","0.16","220","2","220","2","","","","","","","","6","P -1","-P 1","2","","","","- C66 H81 I N5 O2 Rh -","- C66 H81 I N5 O2 Rh -","- C132 H162 I2 N10 O4 Rh2 -","2","1","","James E. Redman; Neil Feeder; Simon J. Teat; Jeremy K. M. Sanders","Rh(III) Porphyrins as Building Blocks for Porphyrin Coordination Arrays: From Dimers to Heterometallic Undecamers","Inorganic Chemistry","2001","40","","2486","2499","10.1021/ic001038f","","","0.7107","MoKα","","0.0557","0.0397","","","0.0984","0.1113","","","","","","1.075","","","","has coordinates,has disorder","179276","2020-10-21","18:00:00","" "4319667","12.396","0.001","8.442","0.001","25.574","0.002","90","","93.54","0.01","90","","2671.1","0.4","180","2","180","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C61 H80 I N4 O Rh -","- C61 H80 I N4 O Rh -","- C122 H160 I2 N8 O2 Rh2 -","2","0.5","","James E. Redman; Neil Feeder; Simon J. Teat; Jeremy K. M. Sanders","Rh(III) Porphyrins as Building Blocks for Porphyrin Coordination Arrays: From Dimers to Heterometallic Undecamers","Inorganic Chemistry","2001","40","","2486","2499","10.1021/ic001038f","","","0.71073","MoKα","","0.0788","0.066","","","0.1698","0.1759","","","","","","1.147","","","","has coordinates,has disorder","179276","2020-10-21","18:00:00","" "4319668","12.23","0.001","15.219","0.001","17.293","0.001","96.06","0.01","110.39","0.01","90.53","0.01","2996.5","0.4","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C130 H162 Cl4 I2 N12 Rh2 -","- C130 H162 Cl4 I2 N12 Rh2 -","- C130 H162 Cl4 I2 N12 Rh2 -","1","0.5","","James E. Redman; Neil Feeder; Simon J. Teat; Jeremy K. M. Sanders","Rh(III) Porphyrins as Building Blocks for Porphyrin Coordination Arrays: From Dimers to Heterometallic Undecamers","Inorganic Chemistry","2001","40","","2486","2499","10.1021/ic001038f","","","0.6884","Synchrotron","","0.0811","0.0738","","","0.2056","0.2098","","","","","","1.565","","","","has coordinates,has disorder","179276","2020-10-21","18:00:00","" "4319669","10.733","0.011","14.085","0.01","26.138","0.009","90","","90.99","0.05","90","","3951","5","170","2","170","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C28 H60 K2 N4 O3 P2 Se2 -","- C28 H60 K2 N4 O3 P2 Se2 -","- C112 H240 K8 N16 O12 P8 Se8 -","4","1","","Tristram Chivers; Mark Krahn; Masood Parvez; Gabriele Schatte","Preparation and X-ray Structures of Alkali-Metal Derivatives of the Ambidentate Anions [tBuN(E)P(μ-NtBu)2P(E)NtBu]2- (E = S, Se) and [tBuN(Se)P(μ-NtBu)2PN(H)tBu)]-","Inorganic Chemistry","2001","40","","2547","2553","10.1021/ic001093o","","","0.71069","MoKα","","0.2959","0.064","","","0.1652","0.238","","","","","","1.03","","","","has coordinates","179276","2020-10-21","18:00:00","" "4319670","10.477","0.003","10.455","0.004","29.375","0.007","90","","96.96","0.03","90","","3193.9","1.7","293","2","170","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C22 H53 Li N6 P2 S2 -","- C22 H53 Li N6 P2 S2 -","- C88 H212 Li4 N24 P8 S8 -","4","1","","Tristram Chivers; Mark Krahn; Masood Parvez; Gabriele Schatte","Preparation and X-ray Structures of Alkali-Metal Derivatives of the Ambidentate Anions [tBuN(E)P(μ-NtBu)2P(E)NtBu]2- (E = S, Se) and [tBuN(Se)P(μ-NtBu)2PN(H)tBu)]-","Inorganic Chemistry","2001","40","","2547","2553","10.1021/ic001093o","","","0.71069","MoKα","","0.1556","0.0673","","","0.1568","0.1929","","","","","","1.076","","","","has coordinates","179276","2020-10-21","18:00:00","" "4319671","13.172","0.003","16.877","0.002","10.3952","0.0016","91.917","0.012","90.428","0.016","95.251","0.014","2299.8","0.7","170","2","170","2","","","","","","","","7","P -1","-P 1","2","","","","- C36 H76 Li2 N4 O5 P2 S2 -","- C36 H76 Li2 N4 O5 P2 S2 -","- C72 H152 Li4 N8 O10 P4 S4 -","2","1","","Tristram Chivers; Mark Krahn; Masood Parvez; Gabriele Schatte","Preparation and X-ray Structures of Alkali-Metal Derivatives of the Ambidentate Anions [tBuN(E)P(μ-NtBu)2P(E)NtBu]2- (E = S, Se) and [tBuN(Se)P(μ-NtBu)2PN(H)tBu)]-","Inorganic Chemistry","2001","40","","2547","2553","10.1021/ic001093o","","","0.71069","MoKα","","0.1281","0.061","","","0.1719","0.2241","","","","","","1.025","","","","has coordinates,has disorder","179276","2020-10-21","18:00:00","" "4319672","20.901","0.002","10.1486","0.0009","30.341","0.003","90","","95.4216","0.0018","90","","6407","1","193","2","193","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C48 H106 Li2 N8 O4 P4 Se2 -","- C48 H106 Li2 N8 O4 P4 Se2 -","- C192 H424 Li8 N32 O16 P16 Se8 -","4","1","","Tristram Chivers; Mark Krahn; Masood Parvez; Gabriele Schatte","Preparation and X-ray Structures of Alkali-Metal Derivatives of the Ambidentate Anions [tBuN(E)P(μ-NtBu)2P(E)NtBu]2- (E = S, Se) and [tBuN(Se)P(μ-NtBu)2PN(H)tBu)]-","Inorganic Chemistry","2001","40","","2547","2553","10.1021/ic001093o","","","0.71073","MoKα","","0.1179","0.0561","","","0.1156","0.1372","","","","","","1.016","","","","has coordinates,has disorder","179276","2020-10-21","18:00:00","" "4319673","10.4015","0.0015","21.147","0.003","9.9192","0.0012","90.314","0.015","94.771","0.011","100.287","0.016","2138.9","0.5","170","2","170","2","","","","","","","","7","P -1","-P 1","2","","","","- C32 H68 N4 Na2 O4 P2 S2 -","- C32 H68 N4 Na2 O4 P2 S2 -","- C64 H136 N8 Na4 O8 P4 S4 -","2","1","","Tristram Chivers; Mark Krahn; Masood Parvez; Gabriele Schatte","Preparation and X-ray Structures of Alkali-Metal Derivatives of the Ambidentate Anions [tBuN(E)P(μ-NtBu)2P(E)NtBu]2- (E = S, Se) and [tBuN(Se)P(μ-NtBu)2PN(H)tBu)]-","Inorganic Chemistry","2001","40","","2547","2553","10.1021/ic001093o","","","0.71069","MoKα","","0.3334","0.0551","","","0.1247","0.2081","","","","","","0.947","","","","has coordinates","179276","2020-10-21","18:00:00","" "4319674","8.1434","0.0009","11.4343","0.0012","10.0905","0.0011","90","","107.06","0.002","90","","898.22","0.17","296","2","296","2","","","","","","","hydrothermal synthesis","6","P 1 2 1","P 2y","3","","","","- C30 H30 N6 O16 P4 V2 -","- C30 H26 N6 O16 P4 V2 -","- C30 H26 N6 O16 P4 V2 -","1","0.5","","Ching-Hui Huang; Li-Hsun Huang; Kwang-Hwa Lii","Synthesis and Structure of (4,4'-H2bpy)[V2(HPO4)4(4,4'-bpy)2], a Novel Two-Dimensional Network Compound","Inorganic Chemistry","2001","40","","2625","2627","10.1021/ic001169g","","","0.71073","MoKα","","0.0581","0.0449","","0.1096","0.1034","","","","1.075","1.111","1.111","","","","","has coordinates","179276","2020-10-21","18:00:00","" "4319675","14.206","0.001","22.69","0.003","12.168","0.002","90","","90","","90","","3922.2","0.9","293.2","","293.2","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C37 H40 Mn N12 O7 -","- C37 H40 Mn N12 O7 -","- C148 H160 Mn4 N48 O28 -","4","1","","Shigeyuki Nagasato; Ikuko Katsuki; Yuri Motoda; Yukinari Sunatsuki; Naohide Matsumoto; Masaaki Kojima","Correlation among Crystal Shape, Absolute Configuration, and Circular Dichroism Spectrum of Enantiomorphs of Tris[2-(((2-phenylimidazol-4-yl)methylidene)amino)ethyl]- aminemetal(II) Nitrate-Methanol (1/1)","Inorganic Chemistry","2001","40","","2534","2540","10.1021/ic001254o","","","0.7107","MoKα","","0.0467","0.047","","0.03","","0.03","","","2.853","","","2.85","","","","has coordinates","193981","2020-10-21","18:00:00","" "4319676","14.221","0.002","22.553","0.002","12.064","0.002","90","","90","","90","","3869.2","0.9","293.2","","293.2","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C37 H40 Fe N12 O7 -","- C37 H40 Fe N12 O7 -","- C148 H160 Fe4 N48 O28 -","4","1","","Shigeyuki Nagasato; Ikuko Katsuki; Yuri Motoda; Yukinari Sunatsuki; Naohide Matsumoto; Masaaki Kojima","Correlation among Crystal Shape, Absolute Configuration, and Circular Dichroism Spectrum of Enantiomorphs of Tris[2-(((2-phenylimidazol-4-yl)methylidene)amino)ethyl]- aminemetal(II) Nitrate-Methanol (1/1)","Inorganic Chemistry","2001","40","","2534","2540","10.1021/ic001254o","","","0.7107","MoKα","","0.0818","0.082","","0.062","","0.062","","","5.5","","","5.5","","","","has coordinates","193981","2020-10-21","18:00:00","" "4319677","14.228","0.006","22.514","0.006","12.015","0.009","90","","90","","90","","3849","3","293.2","","293.2","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C37 H40 Co N12 O7 -","- C37 H40 Co N12 O7 -","- C148 H160 Co4 N48 O28 -","4","1","","Shigeyuki Nagasato; Ikuko Katsuki; Yuri Motoda; Yukinari Sunatsuki; Naohide Matsumoto; Masaaki Kojima","Correlation among Crystal Shape, Absolute Configuration, and Circular Dichroism Spectrum of Enantiomorphs of Tris[2-(((2-phenylimidazol-4-yl)methylidene)amino)ethyl]- aminemetal(II) Nitrate-Methanol (1/1)","Inorganic Chemistry","2001","40","","2534","2540","10.1021/ic001254o","","","0.7107","MoKα","","0.0408","0.041","","0.026","","0.026","","","1.846","","","1.85","","","","has coordinates","193981","2020-10-21","18:00:00","" "4319678","13.236","0.003","13.741","0.002","12.178","0.002","108.05","0.01","96.98","0.02","103.49","0.02","2002.3","0.7","293.2","","293.2","","","","","","","","","5","P -1","-P 1","2","","","","- C38 H41 Cu N13 O7 -","- C38 H39 Cu N13 O7 -","- C76 H78 Cu2 N26 O14 -","2","1","","Shigeyuki Nagasato; Ikuko Katsuki; Yuri Motoda; Yukinari Sunatsuki; Naohide Matsumoto; Masaaki Kojima","Correlation among Crystal Shape, Absolute Configuration, and Circular Dichroism Spectrum of Enantiomorphs of Tris[2-(((2-phenylimidazol-4-yl)methylidene)amino)ethyl]- aminemetal(II) Nitrate-Methanol (1/1)","Inorganic Chemistry","2001","40","","2534","2540","10.1021/ic001254o","","","0.7107","MoKα","","0.0535","0.054","","0.041","","0.041","","","2.281","","","2.28","","","","has coordinates","193981","2020-10-21","18:00:00","" "4319679","14.233","0.002","22.512","0.003","12.049","0.004","90","","90","","90","","3860.7","1.5","293.2","","293.2","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C37 H40 N12 O7 Zn -","- C37 H40 N12 O7 Zn -","- C148 H160 N48 O28 Zn4 -","4","1","","Shigeyuki Nagasato; Ikuko Katsuki; Yuri Motoda; Yukinari Sunatsuki; Naohide Matsumoto; Masaaki Kojima","Correlation among Crystal Shape, Absolute Configuration, and Circular Dichroism Spectrum of Enantiomorphs of Tris[2-(((2-phenylimidazol-4-yl)methylidene)amino)ethyl]- aminemetal(II) Nitrate-Methanol (1/1)","Inorganic Chemistry","2001","40","","2534","2540","10.1021/ic001254o","","","0.7107","MoKα","","0.0482","0.048","","0.054","","0.054","","","1.143","","","1.14","","","","has coordinates","193981","2020-10-21","18:00:00","" "4319680","21.405","0.007","18.896","0.004","21.55","0.01","90","0.03","116.24","0.02","90","0.02","7818","5","298.2","","298.2","","","","","","","","","9","P 1 21/a 1","-P 2yab","14","","","","- C71 Cl5 F3 Fe N6 O3 P4 Re S -","- C71 H92 Cl5 F3 Fe N6 O3 P4 Re S -","- C284 H368 Cl20 F12 Fe4 N24 O12 P16 Re4 S4 -","4","1","","Qian-Feng Zhang; Joyce L. C. Chim; Willetta Lai; Wing-Tak Wong; Wa-Hung Leung","Bridged Dinitrogen Complexes of Iron and Chromium Porphyrins","Inorganic Chemistry","2001","40","","2470","2471","10.1021/ic001341g","","","0.7107","MoKalpha","","","0.0811","","","0.0871","","","","","2.808","2.808","","","","","has coordinates","176467","2020-10-21","18:00:00","" "4319681","5.6046","0.0004","5.6046","0.0004","13.1541","0.0013","90","","90","","90","","413.19","0.06","153","2","153","2","","","","","","","","4","P 42/m c m","-P 4c 2c","132","","","","- Cu2 Rb2 S4 Ti -","- Cu2 Rb2 S4 Ti -","- Cu4 Rb4 S8 Ti2 -","2","0.125","","Fu Qiang Huang; James A. Ibers","New Layered Materials: Syntheses, Structures, and Optical Properties of K2TiCu2S4, Rb2TiCu2S4, Rb2TiAg2S4, Cs2TiAg2S4, and Cs2TiCu2Se4","Inorganic Chemistry","2001","40","","2602","2607","10.1021/ic001346d","","","0.71073","MoKα","","0.0227","0.022","","","0.0708","0.0711","","","","","","1.512","","","","has coordinates","179276","2020-10-21","18:00:00","" "4319682","6.0242","0.0013","6.0242","0.0013","13.566","0.004","90","","90","","90","","492.3","0.2","153","2","153","2","","","","","","","","4","P 42/m c m","-P 4c 2c","132","","","","- Ag2 Cs2 S4 Ti -","- Ag2 Cs2 S4 Ti -","- Ag4 Cs4 S8 Ti2 -","2","0.125","","Fu Qiang Huang; James A. Ibers","New Layered Materials: Syntheses, Structures, and Optical Properties of K2TiCu2S4, Rb2TiCu2S4, Rb2TiAg2S4, Cs2TiAg2S4, and Cs2TiCu2Se4","Inorganic Chemistry","2001","40","","2602","2607","10.1021/ic001346d","","","0.71073","MoKα","","0.0273","0.0266","","","0.0702","0.0705","","","","","","1.369","","","","has coordinates","179276","2020-10-21","18:00:00","" "4319683","5.852","0.002","5.852","0.002","14.234","0.005","90","","90","","90","","487.5","0.3","153","2","153","2","","","","","","","","4","P 42/m c m","-P 4c 2c","132","","","","- Cs2 Cu2 Se4 Ti -","- Cs2 Cu2 Se4 Ti -","- Cs4 Cu4 Se8 Ti2 -","2","0.125","","Fu Qiang Huang; James A. Ibers","New Layered Materials: Syntheses, Structures, and Optical Properties of K2TiCu2S4, Rb2TiCu2S4, Rb2TiAg2S4, Cs2TiAg2S4, and Cs2TiCu2Se4","Inorganic Chemistry","2001","40","","2602","2607","10.1021/ic001346d","","","0.71073","MoKα","","0.0362","0.0333","","","0.0922","0.0935","","","","","","1.63","","","","has coordinates","179276","2020-10-21","18:00:00","" "4319684","23.3789","0.001","7.5684","0.0003","28.3778","0.0012","90","","105.621","0.001","90","","4835.7","0.3","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C56 H40 Co N12 P2 -","- C56 H40 Co N12 P2 -","- C224 H160 Co4 N48 P8 -","4","0.5","","James W. Raebiger; Jamie L. Manson; Roger D. Sommer; Urs Geiser; Arnold L. Rheingold; Joel S. Miller","1-D and 2-D Homoleptic Dicyanamide Structures, [Ph4P]2{CoII[N(CN)2]4} and [Ph4P]{M[N(CN)2]3} (M = Mn, Co)","Inorganic Chemistry","2001","40","","2578","2581","10.1021/ic001379t","","","0.71073","MoKα","","0.0416","0.0323","","","0.0817","0.0863","","","","","","1.036","","","","has coordinates","179276","2020-10-21","18:00:00","" "4319685","13.4354","0.001","7.4426","0.0005","14.1556","0.001","90","","101.087","0.001","90","","1389.06","0.17","173","2","173","2","","","","","","","","5","P 1 2/n 1","-P 2yac","13","","","","- C30 H20 Co N9 P -","- C30 H20 Co N9.03 P -","- C60 H40 Co2 N18.06 P2 -","2","0.5","","James W. Raebiger; Jamie L. Manson; Roger D. Sommer; Urs Geiser; Arnold L. Rheingold; Joel S. Miller","1-D and 2-D Homoleptic Dicyanamide Structures, [Ph4P]2{CoII[N(CN)2]4} and [Ph4P]{M[N(CN)2]3} (M = Mn, Co)","Inorganic Chemistry","2001","40","","2578","2581","10.1021/ic001379t","","","0.71073","MoKα","","0.0732","0.0533","","","0.0986","0.1054","","","","","","1.083","","","","has coordinates","179276","2020-10-21","18:00:00","" "4319686","13.3903","0.0006","7.5745","0.0003","14.3935","0.0006","90","","99.663","0.002","90","","1439.15","0.11","295","2","295","2","","","","","","","","5","P 1 2/n 1","-P 2yac","13","","","","- C30 H20 Mn N9 P -","- C30 H20 Mn N9 P -","- C60 H40 Mn2 N18 P2 -","2","0.5","","James W. Raebiger; Jamie L. Manson; Roger D. Sommer; Urs Geiser; Arnold L. Rheingold; Joel S. Miller","1-D and 2-D Homoleptic Dicyanamide Structures, [Ph4P]2{CoII[N(CN)2]4} and [Ph4P]{M[N(CN)2]3} (M = Mn, Co)","Inorganic Chemistry","2001","40","","2578","2581","10.1021/ic001379t","","","0.71073","MoKα","","0.0506","0.0344","","","0.0894","0.0949","","","","","","1.064","","","","has coordinates","179276","2020-10-21","18:00:00","" "4319687","12.58","0.003","8.9756","0.0018","15.905","0.003","90","","109.06","0.03","90","","1697.4","0.7","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H13 O S5 Sb -","- C13 H13 O S5 Sb -","- C52 H52 O4 S20 Sb4 -","4","1","","Narcis Avarvari; Eric Faulques; Marc Fourmigué","Two Successive Single Crystal Phase Transitions Involving the Coordination Sphere of Antimony in PhSb(dmit), the First Organo-Antimony(III) Dithiolene Complex","Inorganic Chemistry","2001","40","","2570","2577","10.1021/ic001439v","","","0.71073","MoKα","","0.0354","0.0274","","","0.0684","0.0709","","","","","","1.038","","","","has coordinates","179276","2020-10-21","18:00:00","" "4319688","12.613","0.003","8.9876","0.0018","15.109","0.003","90","","107.01","0.03","90","","1637.8","0.7","85","2","85","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C13 H13 O S5 Sb -","- C13 H13 O S5 Sb -","- C52 H52 O4 S20 Sb4 -","4","2","","Narcis Avarvari; Eric Faulques; Marc Fourmigué","Two Successive Single Crystal Phase Transitions Involving the Coordination Sphere of Antimony in PhSb(dmit), the First Organo-Antimony(III) Dithiolene Complex","Inorganic Chemistry","2001","40","","2570","2577","10.1021/ic001439v","","","0.71073","MoKα","","0.0411","0.0352","","","0.0796","0.0813","","","","","","0.983","","","","has coordinates","179276","2020-10-21","18:00:00","" "4319689","16.736","0.003","8.9653","0.0018","33.132","0.007","90","","91.98","0.03","90","","4968.3","1.7","180","2","180","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H13 O S5 Sb -","- C13 H5 O S5 Sb -","- C156 H60 O12 S60 Sb12 -","12","3","","Narcis Avarvari; Eric Faulques; Marc Fourmigué","Two Successive Single Crystal Phase Transitions Involving the Coordination Sphere of Antimony in PhSb(dmit), the First Organo-Antimony(III) Dithiolene Complex","Inorganic Chemistry","2001","40","","2570","2577","10.1021/ic001439v","","","0.71073","MoKα","","0.119","0.1029","","","0.2682","0.2813","","","","","","1.075","","","","has coordinates","179276","2020-10-21","18:00:00","" "4319690","12.693","0.003","5.7643","0.0012","20.933","0.004","90","","91.05","0.03","90","","1531.3","0.6","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C13 H20.5 F N2.5 O2 Si -","- C12.99 H20.47 F N2.49 O2 Si -","- C51.96 H81.88 F4 N9.96 O8 Si4 -","4","1","","Reinhold Tacke; Rüdiger Bertermann; Olaf Dannappel; Ruth E. Neugebauer; Melanie Pülm; Reiner Willeke","Monocyclic Zwitterionic λ5Si-Silicates with an SiO2FC2 Framework: Syntheses and Structural Characterization in the Solid State and in Solution","Inorganic Chemistry","2001","40","","2520","2527","10.1021/ic0014484","","","0.71073","MoKα","","0.0605","0.0535","","","0.1439","0.1484","","","","","","1.043","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00","" "4319691","9.6112","0.0019","16.524","0.003","22.098","0.004","90","","90","","90","","3509.5","1.1","173","2","173","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C17 H28 F N O2 Si -","- C17 H28 F N O2 Si -","- C136 H224 F8 N8 O16 Si8 -","8","1","","Reinhold Tacke; Rüdiger Bertermann; Olaf Dannappel; Ruth E. Neugebauer; Melanie Pülm; Reiner Willeke","Monocyclic Zwitterionic λ5Si-Silicates with an SiO2FC2 Framework: Syntheses and Structural Characterization in the Solid State and in Solution","Inorganic Chemistry","2001","40","","2520","2527","10.1021/ic0014484","","","0.71073","MoKα","","0.0653","0.0578","","","0.1069","0.1107","","","","","","1.117","","","","has coordinates","179276","2020-10-21","18:00:00","" "4319692","9.0669","0.0018","12.873","0.003","8.6764","0.0017","90","","110.73","0.03","90","","947.1","0.4","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C6 H14 F N O3 Si -","- C6 H14 F N O3 Si -","- C24 H56 F4 N4 O12 Si4 -","4","1","","Reinhold Tacke; Rüdiger Bertermann; Olaf Dannappel; Ruth E. Neugebauer; Melanie Pülm; Reiner Willeke","Monocyclic Zwitterionic λ5Si-Silicates with an SiO2FC2 Framework: Syntheses and Structural Characterization in the Solid State and in Solution","Inorganic Chemistry","2001","40","","2520","2527","10.1021/ic0014484","","","0.71073","MoKα","","0.0523","0.0343","","","0.0788","0.0842","","","","","","0.968","","","","has coordinates","179276","2020-10-21","18:00:00","" "4319693","11.73","0.002","9.809","0.002","14.01","0.003","90","","110.05","0.03","90","","1514.3","0.6","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C13 H26 F N O3 Si -","- C13 H26 F N O3 Si -","- C52 H104 F4 N4 O12 Si4 -","4","1","","Reinhold Tacke; Rüdiger Bertermann; Olaf Dannappel; Ruth E. Neugebauer; Melanie Pülm; Reiner Willeke","Monocyclic Zwitterionic λ5Si-Silicates with an SiO2FC2 Framework: Syntheses and Structural Characterization in the Solid State and in Solution","Inorganic Chemistry","2001","40","","2520","2527","10.1021/ic0014484","","","0.71073","MoKα","","0.0558","0.0348","","","0.0774","0.0835","","","","","","0.919","","","","has coordinates","179276","2020-10-21","18:00:00","" "4319694","10.967","0.002","10.812","0.007","22.5856","0.0019","90","","90","","90","","2678.1","1.8","173","2","173","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C11 H17 F N2 O2 Si -","- C11 H17 F N2 O2 Si -","- C88 H136 F8 N16 O16 Si8 -","8","1","","Reinhold Tacke; Rüdiger Bertermann; Olaf Dannappel; Ruth E. Neugebauer; Melanie Pülm; Reiner Willeke","Monocyclic Zwitterionic λ5Si-Silicates with an SiO2FC2 Framework: Syntheses and Structural Characterization in the Solid State and in Solution","Inorganic Chemistry","2001","40","","2520","2527","10.1021/ic0014484","","","0.71073","MoKα","","0.0458","0.0316","","0.0846","0.0783","","","","1.019","1.056","1.056","","","","","has coordinates","179276","2020-10-21","18:00:00","" "4319695","17.284","0.004","7.8315","0.0016","14.709","0.003","90","","109.77","0.03","90","","1873.7","0.8","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C18 H29 F N2 O2 Si -","- C18 H29 F N2 O2 Si -","- C72 H116 F4 N8 O8 Si4 -","4","1","","Reinhold Tacke; Rüdiger Bertermann; Olaf Dannappel; Ruth E. Neugebauer; Melanie Pülm; Reiner Willeke","Monocyclic Zwitterionic λ5Si-Silicates with an SiO2FC2 Framework: Syntheses and Structural Characterization in the Solid State and in Solution","Inorganic Chemistry","2001","40","","2520","2527","10.1021/ic0014484","","","0.71073","MoKα","","0.0924","0.0439","","","0.0934","0.1073","","","","","","0.862","","","","has coordinates","179276","2020-10-21","18:00:00","" "4319696","8.8777","0.0018","10.859","0.002","10.35","0.002","90","","110.6","0.03","90","","934","0.4","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C6 H12 F N O4 Si -","- C6 H12 F N O4 Si -","- C24 H48 F4 N4 O16 Si4 -","4","1","","Reinhold Tacke; Rüdiger Bertermann; Olaf Dannappel; Ruth E. Neugebauer; Melanie Pülm; Reiner Willeke","Monocyclic Zwitterionic λ5Si-Silicates with an SiO2FC2 Framework: Syntheses and Structural Characterization in the Solid State and in Solution","Inorganic Chemistry","2001","40","","2520","2527","10.1021/ic0014484","","","0.71073","MoKα","","0.0406","0.0303","","","0.0772","0.0814","","","","","","1.048","","","","has coordinates","179276","2020-10-21","18:00:00","" "4319697","11.678","0.002","9.6054","0.0019","14.286","0.003","90","","109.91","0.03","90","","1506.7","0.6","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C13 H24 F N O4 Si -","- C13 H24 F N O4 Si -","- C52 H96 F4 N4 O16 Si4 -","4","1","","Reinhold Tacke; Rüdiger Bertermann; Olaf Dannappel; Ruth E. Neugebauer; Melanie Pülm; Reiner Willeke","Monocyclic Zwitterionic λ5Si-Silicates with an SiO2FC2 Framework: Syntheses and Structural Characterization in the Solid State and in Solution","Inorganic Chemistry","2001","40","","2520","2527","10.1021/ic0014484","","","0.71073","MoKα","","0.0373","0.0284","","","0.0731","0.0759","","","","","","1.034","","","","has coordinates","179276","2020-10-21","18:00:00","" "4319698","11.8674","0.001","10.398","0.0009","15.6954","0.0014","90","","107.937","0.002","90","","1842.6","0.3","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C13 H12 Cu Mo2 N2 O12 P2 -","- C13 H10 Cu Mo2 N2 O12 P2 -","- C52 H40 Cu4 Mo8 N8 O48 P8 -","4","1","","Robert C. Finn; Jon Zubieta","A New Class of Organic-Inorganic Hybrid Materials: Hydrothermal Synthesis and Structural Characterization of Bimetallic Organophosphonate Oxide Phases of the Mo/Cu/O/RPO32-Family","Inorganic Chemistry","2001","40","","2466","2467","10.1021/ic0100018","","","0.71073","MoKα","","0.0735","0.0485","","","0.1163","0.1324","","","","","","1.062","","","","has coordinates","179276","2020-10-21","18:00:00","" "4319699","7.9401","0.0007","10.4771","0.0009","12.8953","0.0011","101.137","0.001","104.176","0.002","110.066","0.001","930.6","0.14","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C13 H14 Cu Mo2 N2 O11 P -","- C13 H12 Cu Mo2 N2 O11 P -","- C26 H24 Cu2 Mo4 N4 O22 P2 -","2","1","","Robert C. Finn; Jon Zubieta","A New Class of Organic-Inorganic Hybrid Materials: Hydrothermal Synthesis and Structural Characterization of Bimetallic Organophosphonate Oxide Phases of the Mo/Cu/O/RPO32-Family","Inorganic Chemistry","2001","40","","2466","2467","10.1021/ic0100018","","","0.71073","MoKα","","0.0598","0.048","","","0.1104","0.1141","","","","","","1.146","","","","has coordinates","179276","2020-10-21","18:00:00","" "4319700","8.8623","0.0003","16.988","0.0005","17.1166","0.0005","91.286","0.001","95.399","0.001","102.754","0.001","2499.74","0.13","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C39 H39 Cu2 Mo5 N6 O25.5 P2 -","- C39 H30 Cu2 Mo5 N6 O25.5 P2 -","- C78 H60 Cu4 Mo10 N12 O51 P4 -","2","1","","Robert C. Finn; Jon Zubieta","A New Class of Organic-Inorganic Hybrid Materials: Hydrothermal Synthesis and Structural Characterization of Bimetallic Organophosphonate Oxide Phases of the Mo/Cu/O/RPO32-Family","Inorganic Chemistry","2001","40","","2466","2467","10.1021/ic0100018","","","0.71073","MoKα","","0.0483","0.036","","","0.0851","0.0916","","","","","","1.016","","","","has coordinates","176467","2020-10-21","18:00:00","" "4319701","15.345","0.003","3.8377","0.0008","9.4375","0.0019","90","","90","","90","","555.77","0.19","110","1","110","1","","","","","","","","3","I m m 2","I 2 -2","44","","","","- Er7 Ni2 Te2 -","- Er7 Ni2 Te2 -","- Er14 Ni4 Te4 -","2","0.25","","Fanqin Meng; Timothy Hughbanks","Er7Ni2Te2: The Most Rare-Earth Metal-Rich Ternary Chalcogenide","Inorganic Chemistry","2001","40","","2482","2483","10.1021/ic010009h","","","0.71073","MoKα","","0.0431","0.0354","","","0.0777","0.0995","","","","","","1.163","","","","has coordinates","179277","2020-10-21","18:00:00","" "4319702","9.2683","0.0001","13.3189","0.0002","19.4136","0.0004","89.148","0.001","84.436","0.001","87.011","0.001","2381.83","0.07","150","1","150","1","","","","","","","","4","P -1","-P 1","2","","","","- C52 H60 P4 Re2 -","- C52 H60 P4 Re2 -","- C104 H120 P8 Re4 -","2","1","","Justin G. Hinman; Kamaluddin Abdur-Rashid; Alan J. Lough; Robert H. Morris","[{ReH2(PMePh2)2}2(μ-H)3]-: The First Member of a New Class of Anionic Polyhydride Dimers [Re2H7L4]-","Inorganic Chemistry","2001","40","","2480","2481","10.1021/ic010041b","","","0.71073","MoKα","","0.0386","0.0301","","","0.0687","0.072","","","","","","1.025","","","","has coordinates","176467","2020-10-21","18:00:00","" "4319703","11.0535","0.0002","12.1567","0.0001","13.2904","0.0003","66.782","0.001","74.983","0.001","83.151","0.001","1584.9","0.05","150","1","150","1","","","","","","","","7","P -1","-P 1","2","","","","- C64 H86 K N2 O4 P4 Re2 -","- C64 H82 K N2 O4 P4 Re2 -","- C64 H82 K N2 O4 P4 Re2 -","1","0.5","","Justin G. Hinman; Kamaluddin Abdur-Rashid; Alan J. Lough; Robert H. Morris","[{ReH2(PMePh2)2}2(μ-H)3]-: The First Member of a New Class of Anionic Polyhydride Dimers [Re2H7L4]-","Inorganic Chemistry","2001","40","","2480","2481","10.1021/ic010041b","","","0.71073","MoKα","","0.0285","0.026","","","0.0612","0.0624","","","","","","1.032","","","","has coordinates","176467","2020-10-21","18:00:00","" "4319704","14.4133","0.0006","14.4133","0.0006","14.4133","0.0006","116.236","0.001","116.236","0.001","116.236","0.001","1469.76","0.15","213","2","213","2","","","","","","","","6","R -3 :R","-P 3*","148","N, N'-bis(3-aminopropyl)ethylenediaminenickel vanadate","N, N'-bis(3-aminopropyl)ethylenediaminenickel(II) divanadatetrihydrate","","- C8 H28 N4 Ni O9 V2 -","- C8 H12 N4 Ni O9.4 V2 -","- C24 H36 N12 Ni3 O28.2 V6 -","3","0.5","","Junghwan Do; Allan J. Jacobson","Nickel Vanadate Nanotubes: Synthesis and Crystal Structure of [Ni(C8H22N4)](VO3)2.3H2O","Inorganic Chemistry","2001","40","","2468","2469","10.1021/ic010078w","","","0.71073","MoKα","","0.0517","0.046","","0.1441","0.1323","","","","1.248","1.18","1.18","","","","","has coordinates","179277","2020-10-21","18:00:00","" "4319705","7.643","0.009","8.019","0.009","15.648","0.015","95.302","0.015","95.011","0.008","97.752","0.009","941.4","1.8","293","2","293","2","","","","","","","","6","P -1","-P 1","2","N, N'-bis(3-aminopropyl)ethylenediaminediaquonickel chloride","N, N'-bis(3-aminopropyl)ethylenediaminediaquonickel(II) dichloridetrihydrate","","- C8 H32 Cl2 N4 Ni O5 -","- C8 H32 Cl2 N4 Ni O5 -","- C16 H64 Cl4 N8 Ni2 O10 -","2","1","","Junghwan Do; Allan J. Jacobson","Nickel Vanadate Nanotubes: Synthesis and Crystal Structure of [Ni(C8H22N4)](VO3)2.3H2O","Inorganic Chemistry","2001","40","","2468","2469","10.1021/ic010078w","","","0.71073","MoKα","","0.0436","0.0386","","0.0941","0.0897","","","","1.181","1.169","1.169","","","","","has coordinates","258458","2020-10-21","18:00:00","" "4319706","13.7132","0.0007","13.7585","0.0007","14.223","0.0007","90","","107.278","0.001","90","","2562.4","0.2","90","2","90","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","{NacNacGaO}2","","","- C58 H82 Ga2 N4 O2 -","- C58 H82 Ga2 N4 O2 -","- C116 H164 Ga4 N8 O4 -","2","0.5","","Ned J. Hardman; Philip P. Power","Dimeric Gallium Oxide and Sulfide Species Stabilized by a Sterically Encumbered β-Diketiminate Ligand","Inorganic Chemistry","2001","40","","2474","2475","10.1021/ic015506c","","","0.71073","MoKα","","0.0367","0.0285","","","0.0736","0.0775","","","","","","0.97","","","","has coordinates","179277","2020-10-21","18:00:00","" "4319707","22.4257","0.0009","14.7953","0.0006","16.3518","0.0006","90","","90.368","0.001","90","","5425.3","0.4","90","2","90","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","{NacNacGaS}2","","","- C58 H82 Ga2 N4 S2 -","- C58 H82 Ga2 N4 S2 -","- C232 H328 Ga8 N16 S8 -","4","0.5","","Ned J. Hardman; Philip P. Power","Dimeric Gallium Oxide and Sulfide Species Stabilized by a Sterically Encumbered β-Diketiminate Ligand","Inorganic Chemistry","2001","40","","2474","2475","10.1021/ic015506c","","","0.71073","MoKα","","0.0903","0.0503","","","0.1198","0.1406","","","","","","1.006","","","","has coordinates","179277","2020-10-21","18:00:00","" "4319708","11.7506","0.0013","11.3757","0.0012","15.5617","0.0017","90","","103.584","0.002","90","","2022","0.4","89","2","89","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C21 H12 Cl N6 O3 Re -","- C21 H12 Cl N6 O3 Re -","- C84 H48 Cl4 N24 O12 Re4 -","4","1","","Xiaoyuan Chen; Frank J. Femia; John W. Babich; Jon A. Zubieta","Rhenium(I) Carbonyl Complexes of 2,4,6-Tris(2-pyridyl)-1,3,5-triazine (TPT). Rhenium(I)-Promoted Methoxylation of the Triazine Ring Carbon Atom in Dinuclear Rhenium Complexes","Inorganic Chemistry","2001","40","","2769","2777","10.1021/ic000446g","","","0.71073","MoKα","","0.0959","0.0509","","","0.1041","0.1194","","","","","","0.96","","","","has coordinates","179277","2020-10-21","18:00:00","" "4319709","11.8958","0.001","11.3961","0.001","15.6548","0.0013","90","","104.474","0.002","90","","2054.9","0.3","93","2","93","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C21 H12 Br N6 O3 Re -","- C21 H12 Br N6 O3 Re -","- C84 H48 Br4 N24 O12 Re4 -","4","1","","Xiaoyuan Chen; Frank J. Femia; John W. Babich; Jon A. Zubieta","Rhenium(I) Carbonyl Complexes of 2,4,6-Tris(2-pyridyl)-1,3,5-triazine (TPT). Rhenium(I)-Promoted Methoxylation of the Triazine Ring Carbon Atom in Dinuclear Rhenium Complexes","Inorganic Chemistry","2001","40","","2769","2777","10.1021/ic000446g","","","0.71073","MoKα","","0.0827","0.0437","","","0.0831","0.0989","","","","","","0.99","","","","has coordinates","179277","2020-10-21","18:00:00","" "4319710","11.5407","0.0015","12.1186","0.0016","13.1992","0.0018","80.377","0.002","76.204","0.003","66.826","0.002","1642.5","0.4","90","2","90","2","","","","","","","","6","P -1","-P 1","2","","","","- C30 H24 Cl2 N6 O8 Re2 -","- C30.5 H24 Cl2 N6 O8 Re2 -","- C61 H48 Cl4 N12 O16 Re4 -","2","1","","Xiaoyuan Chen; Frank J. Femia; John W. Babich; Jon A. Zubieta","Rhenium(I) Carbonyl Complexes of 2,4,6-Tris(2-pyridyl)-1,3,5-triazine (TPT). Rhenium(I)-Promoted Methoxylation of the Triazine Ring Carbon Atom in Dinuclear Rhenium Complexes","Inorganic Chemistry","2001","40","","2769","2777","10.1021/ic000446g","","","0.71073","MoKα","","0.0795","0.0446","","","0.0995","0.1228","","","","","","1.034","","","","has coordinates","179277","2020-10-21","18:00:00","" "4319711","11.586","0.005","12.144","0.005","13.364","0.006","80.599","0.007","76.271","0.008","67.158","0.008","1678","1.3","92","2","92","2","","","","","","","","6","P -1","-P 1","2","","","","- C30 H24 Br2 N6 O9 Re2 -","- C30 H24 Br2 N6 O9 Re2 -","- C60 H48 Br4 N12 O18 Re4 -","2","1","","Xiaoyuan Chen; Frank J. Femia; John W. Babich; Jon A. Zubieta","Rhenium(I) Carbonyl Complexes of 2,4,6-Tris(2-pyridyl)-1,3,5-triazine (TPT). Rhenium(I)-Promoted Methoxylation of the Triazine Ring Carbon Atom in Dinuclear Rhenium Complexes","Inorganic Chemistry","2001","40","","2769","2777","10.1021/ic000446g","","","0.71073","MoKα","","0.0882","0.0587","","","0.1489","0.1704","","","","","","1.067","","","","has coordinates","179277","2020-10-21","18:00:00","" "4319712","17.555","0.004","15.277","0.003","13.093","0.003","90","","111.179","0.003","90","","3274.2","1.2","90","2","90","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C25 H15 Br2 Cl2 N6 O7 Re2 -","- C26.16 H15.16 Br2 Cl2 N5 O7 Re2 -","- C104.64 H60.64 Br8 Cl8 N20 O28 Re8 -","4","0.5","","Xiaoyuan Chen; Frank J. Femia; John W. Babich; Jon A. Zubieta","Rhenium(I) Carbonyl Complexes of 2,4,6-Tris(2-pyridyl)-1,3,5-triazine (TPT). Rhenium(I)-Promoted Methoxylation of the Triazine Ring Carbon Atom in Dinuclear Rhenium Complexes","Inorganic Chemistry","2001","40","","2769","2777","10.1021/ic000446g","","","0.71073","MoKα","","0.0527","0.0411","","","0.1097","0.122","","","","","","1.117","","","","has coordinates","179277","2020-10-21","18:00:00","" "4319713","26.952","0.002","16.6019","0.0012","14.6405","0.0011","90","","116.147","0.001","90","","5880.6","0.8","89","2","89","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C26 H20 Cl2 N6 O8 Re2 -","- C26 H19 Cl2 N6 O8 Re2 -","- C208 H152 Cl16 N48 O64 Re16 -","8","1","","Xiaoyuan Chen; Frank J. Femia; John W. Babich; Jon A. Zubieta","Rhenium(I) Carbonyl Complexes of 2,4,6-Tris(2-pyridyl)-1,3,5-triazine (TPT). Rhenium(I)-Promoted Methoxylation of the Triazine Ring Carbon Atom in Dinuclear Rhenium Complexes","Inorganic Chemistry","2001","40","","2769","2777","10.1021/ic000446g","","","0.71073","MoKα","","0.1166","0.0509","","","0.093","0.1172","","","","","","0.981","","","","has coordinates","179277","2020-10-21","18:00:00","" "4319714","27.513","0.003","16.74","0.0016","14.8373","0.0015","90","","116.925","0.002","90","","6092.8","1.1","90","2","90","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C26 H20 Br2 N6 O8 Re2 -","- C26 H19 Br2 N6 O8 Re2 -","- C208 H152 Br16 N48 O64 Re16 -","8","1","","Xiaoyuan Chen; Frank J. Femia; John W. Babich; Jon A. Zubieta","Rhenium(I) Carbonyl Complexes of 2,4,6-Tris(2-pyridyl)-1,3,5-triazine (TPT). Rhenium(I)-Promoted Methoxylation of the Triazine Ring Carbon Atom in Dinuclear Rhenium Complexes","Inorganic Chemistry","2001","40","","2769","2777","10.1021/ic000446g","","","0.71073","MoKα","","0.1206","0.0477","","","0.0884","0.1161","","","","","","0.94","","","","has coordinates","179277","2020-10-21","18:00:00","" "4319715","12.1143","0.0008","14.8778","0.0011","15.8065","0.0011","90","","104.601","0.001","90","","2756.9","0.3","90","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C25 H15 Br N6 O7 Re2 -","- C25 H15 Br N6 O7 Re2 -","- C100 H60 Br4 N24 O28 Re8 -","4","1","","Xiaoyuan Chen; Frank J. Femia; John W. Babich; Jon A. Zubieta","Rhenium(I) Carbonyl Complexes of 2,4,6-Tris(2-pyridyl)-1,3,5-triazine (TPT). Rhenium(I)-Promoted Methoxylation of the Triazine Ring Carbon Atom in Dinuclear Rhenium Complexes","Inorganic Chemistry","2001","40","","2769","2777","10.1021/ic000446g","","","0.71073","MoKα","","0.0899","0.0421","","","0.0835","0.1043","","","","","","0.991","","","","has coordinates","179277","2020-10-21","18:00:00","" "4319716","9.4269","0.0001","7.2054","0.0001","21.0276","0.0005","90","","97.484","0.001","90","","1416.12","0.04","298","2","298","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- K2 La P2 Se7 -","- K2 La P2 Se7 -","- K8 La4 P8 Se28 -","4","1","","Evenson; Peter K. Dorhout","Selenophosphate Phase Diagrams Developed in Conjunction with the Synthesis of the New Compounds K2La(P2Se6)1/2(PSe4), K3La(PSe4)2, K4La0.67(PSe4)2, K9-xLa1+x/3(PSe4)4 (x = 0.5), and KEuPSe4","Inorganic Chemistry","2001","40","","2875","2883","10.1021/ic000595z","","","0.71073","MoKα","","0.0666","0.0429","","0.097","0.089","","","","1.061","1.119","1.119","","","","","has coordinates","179277","2020-10-21","18:00:00","" "4319717","9.5782","0.0002","17.6623","0.0004","9.9869","0.0003","90","","90.12","0.001","90","","1689.51","0.07","170","2","170","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- K3 La P2 Se8 -","- K3 La P2 Se8 -","- K12 La4 P8 Se32 -","4","1","","Evenson; Peter K. Dorhout","Selenophosphate Phase Diagrams Developed in Conjunction with the Synthesis of the New Compounds K2La(P2Se6)1/2(PSe4), K3La(PSe4)2, K4La0.67(PSe4)2, K9-xLa1+x/3(PSe4)4 (x = 0.5), and KEuPSe4","Inorganic Chemistry","2001","40","","2875","2883","10.1021/ic000595z","","","0.71073","MoKα","","0.0773","0.0476","","0.1161","0.1036","","","","1.054","1.106","1.106","","","","","has coordinates","179277","2020-10-21","18:00:00","" "4319718","19.0962","0.0002","9.1408","0.0001","10.2588","0.0002","90","","90","","90","","1790.72","0.04","159","2","159","2","","","","","","","","4","I b a m","-I 2 2c","72","","","","- K4 La0.67 P2 Se8 -","- K4 La0.67 P2 Se8 -","- K16 La2.68 P8 Se32 -","4","0.25","","Evenson; Peter K. Dorhout","Selenophosphate Phase Diagrams Developed in Conjunction with the Synthesis of the New Compounds K2La(P2Se6)1/2(PSe4), K3La(PSe4)2, K4La0.67(PSe4)2, K9-xLa1+x/3(PSe4)4 (x = 0.5), and KEuPSe4","Inorganic Chemistry","2001","40","","2875","2883","10.1021/ic000595z","","","0.71073","MoKα","","0.0473","0.0353","","0.0812","0.0755","","","","1.106","1.125","1.125","","","","","has coordinates","179277","2020-10-21","18:00:00","" "4319719","18.2133","0.0001","38.0914","0.0004","10.2665","0.0001","90","","90","","90","","7122.59","0.11","158","2","158","2","","","","","","","","4","C c c a :2","-C 2a 2ac","68","","","","- K8.5 La1.17 P4 Se16 -","- K8.5 La1.16 P4 Se16 -","- K68 La9.28 P32 Se128 -","8","0.5","","Evenson; Peter K. Dorhout","Selenophosphate Phase Diagrams Developed in Conjunction with the Synthesis of the New Compounds K2La(P2Se6)1/2(PSe4), K3La(PSe4)2, K4La0.67(PSe4)2, K9-xLa1+x/3(PSe4)4 (x = 0.5), and KEuPSe4","Inorganic Chemistry","2001","40","","2875","2883","10.1021/ic000595z","","","0.71073","MoKα","","0.1052","0.0542","","0.1324","0.1143","","","","1.092","1.257","1.257","","","","","has coordinates","176467","2020-10-21","18:00:00","" "4319720","17.5156","0.0011","7.0126","0.0005","6.9015","0.0004","90","","90","","90","","847.71","0.09","170","2","170","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- Eu K P Se4 -","- Eu K P Se4 -","- Eu4 K4 P4 Se16 -","4","0.5","","Evenson; Peter K. Dorhout","Selenophosphate Phase Diagrams Developed in Conjunction with the Synthesis of the New Compounds K2La(P2Se6)1/2(PSe4), K3La(PSe4)2, K4La0.67(PSe4)2, K9-xLa1+x/3(PSe4)4 (x = 0.5), and KEuPSe4","Inorganic Chemistry","2001","40","","2875","2883","10.1021/ic000595z","","","0.71073","MoKα","","0.0278","0.0237","","0.0565","0.0523","","","","1.094","1.119","1.119","","","","","has coordinates","176467","2020-10-21","18:00:00","" "4319721","11.963","0.012","7.525","0.01","11.389","0.014","90","","109.88","0.04","90","","964","2","169","2","169","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- K La P2 S6 -","- K La P2 S6 -","- K4 La4 P8 S24 -","4","1","","Evenson; Peter K. Dorhout","Thiophosphate Phase Diagrams Developed in Conjunction with the Synthesis of the New Compounds KLaP2S6, K2La(P2S6)1/2(PS4), K3La(PS4)2, K4La0.67(PS4)2, K9-xLa1+x/3(PS4)4 (x = 0.5), K4Eu(PS4)2, and KEuPS4","Inorganic Chemistry","2001","40","","2884","2891","10.1021/ic000596r","","","0.71073","MoKα","","0.114","0.0583","","0.1564","0.112","","","","1.071","0.957","0.957","","","","","has coordinates","179277","2020-10-21","18:00:00","" "4319722","9.066","0.006","6.793","0.003","20.112","0.007","90","","97.54","0.03","90","","1227.9","1.1","169","2","169","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- K2 La P2 S7 -","- K2 La P2 S7 -","- K8 La4 P8 S28 -","4","1","","Evenson; Peter K. Dorhout","Thiophosphate Phase Diagrams Developed in Conjunction with the Synthesis of the New Compounds KLaP2S6, K2La(P2S6)1/2(PS4), K3La(PS4)2, K4La0.67(PS4)2, K9-xLa1+x/3(PS4)4 (x = 0.5), K4Eu(PS4)2, and KEuPS4","Inorganic Chemistry","2001","40","","2884","2891","10.1021/ic000596r","","","0.71073","MoKα","","0.1036","0.0493","","0.0956","0.0765","","","","1.016","1.031","1.031","","","","","has coordinates","179277","2020-10-21","18:00:00","" "4319723","9.141","0.002","17.056","0.004","9.47","0.002","90","","90.29","0.015","90","","1476.4","0.6","168","2","168","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- K3 La P2 S8 -","- K3 La P2 S8 -","- K12 La4 P8 S32 -","4","1","","Evenson; Peter K. Dorhout","Thiophosphate Phase Diagrams Developed in Conjunction with the Synthesis of the New Compounds KLaP2S6, K2La(P2S6)1/2(PS4), K3La(PS4)2, K4La0.67(PS4)2, K9-xLa1+x/3(PS4)4 (x = 0.5), K4Eu(PS4)2, and KEuPS4","Inorganic Chemistry","2001","40","","2884","2891","10.1021/ic000596r","","","0.71073","MoKα","","0.06","0.0386","","0.0843","0.0766","","","","1.014","1.052","1.052","","","","","has coordinates","179277","2020-10-21","18:00:00","" "4319724","18.202","0.0015","8.7596","0.0007","9.7699","0.0008","90","","90","","90","","1557.7","0.2","170","2","170","2","","","","","","","","4","I b a m","-I 2 2c","72","","","","- K4 La0.67 P2 S8 -","- K4 La0.67 P2 S8 -","- K16 La2.68 P8 S32 -","4","0.25","","Evenson; Peter K. Dorhout","Thiophosphate Phase Diagrams Developed in Conjunction with the Synthesis of the New Compounds KLaP2S6, K2La(P2S6)1/2(PS4), K3La(PS4)2, K4La0.67(PS4)2, K9-xLa1+x/3(PS4)4 (x = 0.5), K4Eu(PS4)2, and KEuPS4","Inorganic Chemistry","2001","40","","2884","2891","10.1021/ic000596r","","","0.71073","MoKα","","0.0661","0.0469","","0.1115","0.1043","","","","1.055","1.109","1.109","","","","","has coordinates","179277","2020-10-21","18:00:00","" "4319725","17.529","0.009","36.43","0.028","9.782","0.004","90","","90","","90","","6247","6","167","2","167","2","","","","","","","","4","C c c a :2","-C 2a 2ac","68","","","","- K8.5 La1.17 P4 S16 -","- K8.5 La1.16 P4 S16 -","- K68 La9.28 P32 S128 -","8","0.5","","Evenson; Peter K. Dorhout","Thiophosphate Phase Diagrams Developed in Conjunction with the Synthesis of the New Compounds KLaP2S6, K2La(P2S6)1/2(PS4), K3La(PS4)2, K4La0.67(PS4)2, K9-xLa1+x/3(PS4)4 (x = 0.5), K4Eu(PS4)2, and KEuPS4","Inorganic Chemistry","2001","40","","2884","2891","10.1021/ic000596r","","","0.71073","MoKα","","0.1705","0.0676","","0.155","0.116","","","","1.049","1.168","1.168","","","","","has coordinates","176467","2020-10-21","18:00:00","" "4319726","18.293","0.051","8.813","0.015","9.741","0.01","90","","90","","90","","1570","5","168","2","168","2","","","","","","","","4","I b a m","-I 2 2c","72","","","","- Eu K4 P2 S8 -","- Eu K4 P2 S8 -","- Eu4 K16 P8 S32 -","4","0.25","","Evenson; Peter K. Dorhout","Thiophosphate Phase Diagrams Developed in Conjunction with the Synthesis of the New Compounds KLaP2S6, K2La(P2S6)1/2(PS4), K3La(PS4)2, K4La0.67(PS4)2, K9-xLa1+x/3(PS4)4 (x = 0.5), K4Eu(PS4)2, and KEuPS4","Inorganic Chemistry","2001","40","","2884","2891","10.1021/ic000596r","","","0.71073","MoKα","","0.0825","0.0495","","0.1218","0.1055","","","","1.131","1.148","1.148","","","","","has coordinates","179277","2020-10-21","18:00:00","" "4319727","16.7816","0.0015","6.6141","0.0006","6.5142","0.0006","90","","90","","90","","723.04","0.11","168","2","168","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- Eu K P S4 -","- Eu K P S4 -","- Eu4 K4 P4 S16 -","4","0.5","","Evenson; Peter K. Dorhout","Thiophosphate Phase Diagrams Developed in Conjunction with the Synthesis of the New Compounds KLaP2S6, K2La(P2S6)1/2(PS4), K3La(PS4)2, K4La0.67(PS4)2, K9-xLa1+x/3(PS4)4 (x = 0.5), K4Eu(PS4)2, and KEuPS4","Inorganic Chemistry","2001","40","","2884","2891","10.1021/ic000596r","","","0.71073","MoKα","","0.0552","0.0368","","0.0749","0.0687","","","","1.069","1.097","1.097","","","","","has coordinates","179277","2020-10-21","18:00:00","" "4319728","12.7746","0.0016","18.56","0.002","21.75","0.003","98.215","0.003","101.666","0.003","96.64","0.003","4942.6","1.1","143","2","143","2","","","","","","","","6","P -1","-P 1","2","","","","- C88 H41 Au3 Cl3 F45 P3 -","- C91.5 H33 Au3 Cl3 F45 P3 -","- C183 H66 Au6 Cl6 F90 P6 -","2","1","","Manuel Bardají; Antonio Laguna; Javier Vicente; Peter G. Jones","Synthesis of Luminescent Gold(I) and Gold(III) Complexes with a Triphosphine Ligand","Inorganic Chemistry","2001","40","","2675","2681","10.1021/ic000802v","","","0.71073","MoKα","","0.0898","0.0532","","","0.1336","0.1539","","","","","","1.031","","","","has coordinates","179277","2020-10-21","18:00:00","" "4319729","22.5402","0.0011","15.75","0.0008","22.6703","0.0011","90","","96.81","0.001","90","","7991.4","0.7","295","2","295","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C51 H32 N6 Ni O3 -","- C51 H32 N6 Ni O3 -","- C408 H256 N48 Ni8 O24 -","8","1","","Chen-Shing Chang; Ching-Huei Chen; Yu-I Li; Bing-Chuang Liau; Bao-Tsan Ko; Shanmugham Elango; Jyh-Horung Chen; Lian-Pin Hwang","Metal Complexes of N-p-Nitrobenzoylamido-meso-tetraphenylporphyrin: cis-Acetato-N-p-nitrobenzoylimido-meso- tetraphenylporphyrinatothallium(III) and N-p-Nitrobenzoylimido-meso- tetraphenylporphyrinatonickel(II)","Inorganic Chemistry","2001","40","","2905","2909","10.1021/ic000823p","","","0.71073","MoKα","","0.0621","0.0421","","","0.1125","0.1201","","","","","","1.058","","","","has coordinates","179277","2020-10-21","18:00:00","" "4319730","12.5257","0.0014","24.36","0.003","14.5349","0.0017","90","","101.124","0.002","90","","4351.7","0.9","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C53 H35 N6 O5 Tl -","- C53 H35 N6 O5 Tl -","- C212 H140 N24 O20 Tl4 -","4","1","","Chen-Shing Chang; Ching-Huei Chen; Yu-I Li; Bing-Chuang Liau; Bao-Tsan Ko; Shanmugham Elango; Jyh-Horung Chen; Lian-Pin Hwang","Metal Complexes of N-p-Nitrobenzoylamido-meso-tetraphenylporphyrin: cis-Acetato-N-p-nitrobenzoylimido-meso- tetraphenylporphyrinatothallium(III) and N-p-Nitrobenzoylimido-meso- tetraphenylporphyrinatonickel(II)","Inorganic Chemistry","2001","40","","2905","2909","10.1021/ic000823p","","","0.71073","MoKα","","0.0652","0.0446","","","0.115","0.129","","","","","","0.866","","","","has coordinates","179277","2020-10-21","18:00:00","" "4319731","3.9477","0.0006","23.79","0.003","7.3769","0.0009","90","","90.793","0.012","90","","692.74","0.16","293","","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C10 H4 Cl2 N4 S4 -","- C10 H4 Cl2 N4 S4 -","- C20 H8 Cl4 N8 S8 -","2","0.5","","Tosha M. Barclay; Leanne Beer; A. Wallace Cordes; Richard T. Oakley; Kathryn E. Preuss; Robert W. Reed; Nicholas J. Taylor","5,5'-Bridged Bis(1,2,3-dithiazoles): Spin States and Charge-Transfer Chemistry","Inorganic Chemistry","2001","40","","2709","2714","10.1021/ic0010095","","","0.7107","MolybdenumKα","","0.027","","","0.034","","","","","0.85","","","","","","","has coordinates","176467","2020-10-21","18:00:00","" "4319732","5.1469","0.0015","13.343","0.002","14.2031","0.0017","90","","90","","90","","975.4","0.3","293","","293","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C4 Cl2 N4 S4 -","- C4 Cl2 N4 S4 -","- C16 Cl8 N16 S16 -","4","0.5","","Tosha M. Barclay; Leanne Beer; A. Wallace Cordes; Richard T. Oakley; Kathryn E. Preuss; Robert W. Reed; Nicholas J. Taylor","5,5'-Bridged Bis(1,2,3-dithiazoles): Spin States and Charge-Transfer Chemistry","Inorganic Chemistry","2001","40","","2709","2714","10.1021/ic0010095","","","0.7107","MolybdenumKα","","0.023","","","0.047","","","","","0.87","","","","","","","has coordinates","176467","2020-10-21","18:00:00","" "4319733","11.699","0.004","12.753","0.005","10.461","0.004","90","","112.17","0.01","90","","1445.4","0.9","293","","293","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C4 Cl2 F6 N4 P S4 -","- C4 Cl2 F6 N4 P S4 -","- C16 Cl8 F24 N16 P4 S16 -","4","0.5","","Tosha M. Barclay; Leanne Beer; A. Wallace Cordes; Richard T. Oakley; Kathryn E. Preuss; Robert W. Reed; Nicholas J. Taylor","5,5'-Bridged Bis(1,2,3-dithiazoles): Spin States and Charge-Transfer Chemistry","Inorganic Chemistry","2001","40","","2709","2714","10.1021/ic0010095","","","0.7107","MolybdenumKα","","0.062","","","0.086","","","","","1.64","","","","","","","has coordinates","176467","2020-10-21","18:00:00","" "4319734","11.3932","0.0008","22.291","0.0015","12.4489","0.0008","90","","113.483","0.001","90","","2899.7","0.3","90","2","90","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","[Fe(PaPy3)(CH3CN)](ClO4)2.CH3CN.0.25H2O","","","- C24 H26.5 Cl2 Fe N7 O9.25 -","- C24 H26 Cl2 Fe N7 O9.25 -","- C96 H104 Cl8 Fe4 N28 O37 -","4","1","","John M. Rowland; Marilyn Olmstead; Pradip K. Mascharak","Syntheses, Structures, and Reactivity of Low Spin Iron(III) Complexes Containing a Single Carboxamido Nitrogen in a [FeN5L] Chromophore","Inorganic Chemistry","2001","40","","2810","2817","10.1021/ic001127s","","","0.71073","MoKα","","0.1189","0.0533","","","0.1078","0.127","","","","","","0.893","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00","" "4319735","8.4292","0.0003","14.199","0.0005","11.377","0.0004","90","","98.851","0.001","90","","1345.46","0.08","90","2","90","2","","","","","","","","6","P 1 21 1","P 2yb","4","[Fe(III)(PaPy3)Cl)]ClO4.2CH3CN","","","- C24 H26 Cl2 Fe N7 O5 -","- C24 H26 Cl2 Fe N7 O5 -","- C48 H52 Cl4 Fe2 N14 O10 -","2","1","","John M. Rowland; Marilyn Olmstead; Pradip K. Mascharak","Syntheses, Structures, and Reactivity of Low Spin Iron(III) Complexes Containing a Single Carboxamido Nitrogen in a [FeN5L] Chromophore","Inorganic Chemistry","2001","40","","2810","2817","10.1021/ic001127s","","","0.71073","MoKα","","0.0377","0.0328","","","0.073","0.0746","","","","","","0.996","","","","has coordinates","179277","2020-10-21","18:00:00","" "4319736","8.4996","0.0006","20.4898","0.0014","14.7179","0.001","90","","101.234","0.001","90","","2514.1","0.3","90","2","90","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","[Fe(III)(PaPy3)(CN)]Cl04.THF","","","- C25 H28 Cl Fe N6 O6 -","- C25 H28 Cl Fe N6 O6 -","- C100 H112 Cl4 Fe4 N24 O24 -","4","1","","John M. Rowland; Marilyn Olmstead; Pradip K. Mascharak","Syntheses, Structures, and Reactivity of Low Spin Iron(III) Complexes Containing a Single Carboxamido Nitrogen in a [FeN5L] Chromophore","Inorganic Chemistry","2001","40","","2810","2817","10.1021/ic001127s","","","0.71073","MoKα","","0.0997","0.0497","","","0.104","0.1191","","","","","","0.954","","","","has coordinates","179277","2020-10-21","18:00:00","" "4319737","21.222","0.004","10.121","0.002","31.938","0.007","90","","107.262","0.004","90","","6551","2","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C69 H36 Cl2 Fe4 O12 Ru4 -","- C69 H36 Cl2 Fe4 O12 Ru4 -","- C276 H144 Cl8 Fe16 O48 Ru16 -","4","1","","Richard D. Adams; Bo Qu; Mark D. Smith","New Route to Dehydroannulenes by Coupling Linear Polyynes Using Ruthenium Carbonyl","Inorganic Chemistry","2001","40","","2932","2934","10.1021/ic001132w","","","0.71073","MoKα","","0.121","0.0521","","","0.1004","0.1294","","","","","","1.088","","","","has coordinates","179277","2020-10-21","18:00:00","" "4319738","14.333","0.003","16.353","0.003","12.427","0.002","90","","91.021","0.004","90","","2912.3","0.9","203","2","203","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C34 H33 Cl2 O2 Yb -","- C34 H33 Cl2 O2 Yb -","- C136 H132 Cl8 O8 Yb4 -","4","0.5","","Gerd W. Rabe; Christian D. Bérubé; Glenn P. A. Yap","Terphenyl Ligand Systems in Lanthanide Chemistry: Use of the 2,6-Di(1-naphthyl)phenyl Ligand for the Synthesis of Kinetically Stabilized Complexes of Trivalent Ytterbium, Thulium, and Yttrium","Inorganic Chemistry","2001","40","","2682","2685","10.1021/ic001148m","","","0.71073","MoKα","","0.0581","0.0444","","","0.0837","0.0859","","","","","","1.048","","","","has coordinates","179277","2020-10-21","18:00:00","" "4319739","14.333","0.001","16.374","0.002","12.404","0.001","90","","90.934","0.002","90","","2910.7","0.5","203","2","203","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C34 H33 Cl2 O2 Tm -","- C34 H33 Cl2 O2 Tm -","- C136 H132 Cl8 O8 Tm4 -","4","0.5","","Gerd W. Rabe; Christian D. Bérubé; Glenn P. A. Yap","Terphenyl Ligand Systems in Lanthanide Chemistry: Use of the 2,6-Di(1-naphthyl)phenyl Ligand for the Synthesis of Kinetically Stabilized Complexes of Trivalent Ytterbium, Thulium, and Yttrium","Inorganic Chemistry","2001","40","","2682","2685","10.1021/ic001148m","","","0.71073","MoKα","","0.0351","0.03","","","0.0563","0.0568","","","","","","1.011","","","","has coordinates","179277","2020-10-21","18:00:00","" "4319740","14.348","0.003","16.476","0.003","12.356","0.002","90","","90.987","0.004","90","","2920.5","0.9","203","2","203","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C34 H33 Cl2 O2 Y -","- C34 H33 Cl2 O2 Y -","- C136 H132 Cl8 O8 Y4 -","4","0.5","","Gerd W. Rabe; Christian D. Bérubé; Glenn P. A. Yap","Terphenyl Ligand Systems in Lanthanide Chemistry: Use of the 2,6-Di(1-naphthyl)phenyl Ligand for the Synthesis of Kinetically Stabilized Complexes of Trivalent Ytterbium, Thulium, and Yttrium","Inorganic Chemistry","2001","40","","2682","2685","10.1021/ic001148m","","","0.71073","MoKα","","0.1192","0.0562","","","0.1013","0.1121","","","","","","1.022","","","","has coordinates","179277","2020-10-21","18:00:00","" "4319741","11.0975","0.0009","11.0976","0.0009","21.3305","0.0018","90","","94.718","0.002","90","","2618.1","0.4","203","2","203","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C32 H64 Cl10 Li2 O10 Sc4 -","- C32 H64 Cl10 Li2 O10 Sc4 -","- C64 H128 Cl20 Li4 O20 Sc8 -","2","0.5","","Gerd W. Rabe; Christian D. Bérubé; Glenn P. A. Yap","Terphenyl Ligand Systems in Lanthanide Chemistry: Use of the 2,6-Di(1-naphthyl)phenyl Ligand for the Synthesis of Kinetically Stabilized Complexes of Trivalent Ytterbium, Thulium, and Yttrium","Inorganic Chemistry","2001","40","","2682","2685","10.1021/ic001148m","","","0.71073","MoKα","","0.0606","0.0345","","","0.0716","0.0746","","","","","","1.042","","","","has coordinates","179277","2020-10-21","18:00:00","" "4319742","15.159","0.0003","13.235","0.002","18.0195","0.0006","90","","90","","90","","3615.2","0.6","180.2","","180.2","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C14 H24 Cl N4 Ni O7 -","- C14 H24 Cl N4 Ni O7 -","- C112 H192 Cl8 N32 Ni8 O56 -","8","1","","M. Rodopoulos; T. Rodopoulos; J. N. Bridson; L. I. Elding; S. J. Rettig; A. McAuley","Synthesis of 14-oxa-1,4,8,11-tetraazabicyclo[9.5.3]nonadecane (L1) and a Spectroscopic and Structural Study of [Ni(L1)(ClO4)](ClO4) and of the Macrobicyclic Precursor Diamide Complex, [Ni(HL2)](ClO4); Chloride Substitution Kinetics of the Corresponding [Ni(III)(L1)]3+ Species","Inorganic Chemistry","2001","40","","2737","2742","10.1021/ic001163r","","","0.7107","MoKα","","0.1068","0.045","","0.0826","","0.038","","","1.136","","","1.136","","","","has coordinates","176467","2020-10-21","18:00:00","" "4319743","19.2004","0.0002","19.559","0.0002","30.8717","0.0002","94.009","0.001","99.918","0.001","115.966","0.001","10128.3","0.2","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- As4 Cl2 H124 Na30 O202 W40 -","- As4 Cl2 Na20.95 O201.4 W40 -","- As8 Cl4 Na41.9 O402.8 W80 -","2","1","","Knut Wassermann; Michael T. Pope","Large Cluster Formation through Multiple Substitution with Lanthanide Cations (La, Ce, Nd, Sm, Eu, and Gd) of the Polyoxoanion [(B-α-AsO3W9O30)4(WO2)4]28-. Synthesis and Structural Characterization","Inorganic Chemistry","2001","40","","2763","2768","10.1021/ic001233u","","","0.71073","MoKα","","0.1567","0.1078","","","0.2212","0.2559","","","","","","1.11","","","","has coordinates","176467","2020-10-21","18:00:00","" "4319744","20.7021","0.0003","21.3722","0.0001","26.9546","0.0003","74.19","","86.783","0.001","65.394","0.001","10410.5","0.2","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- As8 Ce6 H282 Na40 O422 W80 -","- As8 Ce6 Na27.3 O413.7 W80 -","- As8 Ce6 Na27.3 O413.7 W80 -","1","0.5","","Knut Wassermann; Michael T. Pope","Large Cluster Formation through Multiple Substitution with Lanthanide Cations (La, Ce, Nd, Sm, Eu, and Gd) of the Polyoxoanion [(B-α-AsO3W9O30)4(WO2)4]28-. Synthesis and Structural Characterization","Inorganic Chemistry","2001","40","","2763","2768","10.1021/ic001233u","","","0.71073","MoKα","","0.1031","0.065","","","0.1441","0.1703","","","","","","1.117","","","","has coordinates","176467","2020-10-21","18:00:00","" "4319745","20.6818","0.0002","22.2615","0.0003","25.1353","0.0003","99.32","","96.591","0.001","109.036","0.001","10619.6","0.2","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- As8 H278 Na40 O420 Sm6 W80 -","- As8 Na15.6 O416.5 Sm6 W80 -","- As8 Na15.6 O416.5 Sm6 W80 -","1","0.5","","Knut Wassermann; Michael T. Pope","Large Cluster Formation through Multiple Substitution with Lanthanide Cations (La, Ce, Nd, Sm, Eu, and Gd) of the Polyoxoanion [(B-α-AsO3W9O30)4(WO2)4]28-. Synthesis and Structural Characterization","Inorganic Chemistry","2001","40","","2763","2768","10.1021/ic001233u","","","0.71073","MoKα","","0.1428","0.0696","","","0.1527","0.1812","","","","","","0.968","","","","has coordinates","176467","2020-10-21","18:00:00","" "4319746","19.448","0.001","19.63","0.001","29.277","0.002","81.606","0.001","74.03","0.001","62.996","0.001","9571.1","1","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- As8 Gd6 H266 Na40 O414 W80 -","- As8 Gd6 Na24.5 O412.1 W80 -","- As8 Gd6 Na24.5 O412.1 W80 -","1","0.5","","Knut Wassermann; Michael T. Pope","Large Cluster Formation through Multiple Substitution with Lanthanide Cations (La, Ce, Nd, Sm, Eu, and Gd) of the Polyoxoanion [(B-α-AsO3W9O30)4(WO2)4]28-. Synthesis and Structural Characterization","Inorganic Chemistry","2001","40","","2763","2768","10.1021/ic001233u","","","0.71073","MoKα","","0.0849","0.058","","","0.1514","0.168","","","","","","1.03","","","","has coordinates","289031","2024-01-11","08:36:03","" "4319747","21.101","0.003","21.339","0.003","26.127","0.003","85.477","0.002","68.241","0.002","84.033","0.002","10857","3","173","2","173","2","","","","","","","","8","P -1","-P 1","2","","","","- As4 Ba Ce4 Cl H65 Na16 O206 W40 -","- As4 Ba Ce4 Cl0.75 Na9.65 O205.8 W40 -","- As8 Ba2 Ce8 Cl1.5 Na19.3 O411.6 W80 -","2","1","","Knut Wassermann; Michael T. Pope","Large Cluster Formation through Multiple Substitution with Lanthanide Cations (La, Ce, Nd, Sm, Eu, and Gd) of the Polyoxoanion [(B-α-AsO3W9O30)4(WO2)4]28-. Synthesis and Structural Characterization","Inorganic Chemistry","2001","40","","2763","2768","10.1021/ic001233u","","","0.71073","MoKα","","0.1573","0.0711","","","0.1637","0.2044","","","","","","0.956","","","","has coordinates","176467","2020-10-21","18:00:00","" "4319748","27.335","0.002","19.618","0.002","33.38","0.003","90","","100.861","0.002","90","","17580","3","173","2","173","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- As4 Ce4 H156 K N15 Na2 O190 W40 -","- As4 Ce4 K Na1.35 O190.5 W40 -","- As16 Ce16 K4 Na5.4 O762 W160 -","4","1","","Knut Wassermann; Michael T. Pope","Large Cluster Formation through Multiple Substitution with Lanthanide Cations (La, Ce, Nd, Sm, Eu, and Gd) of the Polyoxoanion [(B-α-AsO3W9O30)4(WO2)4]28-. Synthesis and Structural Characterization","Inorganic Chemistry","2001","40","","2763","2768","10.1021/ic001233u","","","0.71073","MoKα","","0.2467","0.1005","","","0.1888","0.2533","","","","","","0.992","","","","has coordinates","176467","2020-10-21","18:00:00","" "4319749","35.0164","0.0001","19.586","","27.568","0.002","90","","101.229","0.001","90","","18545.1","1.3","173","2","173","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- As4 Ce4 H186 N18 Na0 O198 W40 -","- As4 Ce4 O177.9 W40 -","- As16 Ce16 O711.6 W160 -","4","0.5","","Knut Wassermann; Michael T. Pope","Large Cluster Formation through Multiple Substitution with Lanthanide Cations (La, Ce, Nd, Sm, Eu, and Gd) of the Polyoxoanion [(B-α-AsO3W9O30)4(WO2)4]28-. Synthesis and Structural Characterization","Inorganic Chemistry","2001","40","","2763","2768","10.1021/ic001233u","","","0.71073","MoKα","","0.1536","0.081","","","0.1819","0.2225","","","","","","1.038","","","","has coordinates","176467","2020-10-21","18:00:00","" "4319750","9.7802","0.0008","9.1039","0.0008","13.9235","0.0012","90","","108.024","0.002","90","","1178.88","0.17","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","diprotonated 1,2-diaminocyclohexane gallium phosphate","","- C12 H31 Ga2 N4 O12 P3 -","- C12 H Ga2 N4 O12 P3 -","- C24 H2 Ga4 N8 O24 P6 -","2","1","","Chia-Her Lin; Sue-Lein Wang","[(1S,2S)-H2DACH][Ga2(1S,2S-DACH)(HPO4)(PO4)2]: A Layered Chiral Gallophosphate Containing Chiral Ligand and Chiral Template","Inorganic Chemistry","2001","40","","2918","2921","10.1021/ic001234m","","","0.71073","MoKα","","0.0751","0.0603","","","0.14","0.1485","","","","","","1.003","","","","has coordinates","179277","2020-10-21","18:00:00","" "4319751","10.082","0.002","10.185","0.003","26.724","0.008","90","","92.718","0.015","90","","2741.1","1.3","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C32 H30 O3 P2 -","- C32 H30 O3 P2 -","- C128 H120 O12 P8 -","4","1","","Yun-Chou Tan; Xin-Min Gan; Jesse L. Stanchfield; Eileen N. Duesler; R. T. Paine","Synthesis and Coordination Chemistry of 1,3-Bis(diphenylphosphinomethyl)benzene P,P'-Dioxide","Inorganic Chemistry","2001","40","","2910","2913","10.1021/ic0012367","","","0.71073","MoKα","","0.0554","0.0368","","","0.085","0.0926","","","","","","1.014","","","","has coordinates","201982","2020-10-21","18:00:00","" "4319752","10.525","0.003","13.132","0.003","25.184","0.005","78.99","0.02","87.15","0.02","75.48","0.02","3307.6","1.4","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C65 H60 N3 O14 P4 Y -","- C65 H58 N3 O14.01 P4 Y -","- C130 H116 N6 O28.02 P8 Y2 -","2","1","","Yun-Chou Tan; Xin-Min Gan; Jesse L. Stanchfield; Eileen N. Duesler; R. T. Paine","Synthesis and Coordination Chemistry of 1,3-Bis(diphenylphosphinomethyl)benzene P,P'-Dioxide","Inorganic Chemistry","2001","40","","2910","2913","10.1021/ic0012367","","","0.71073","MoKα","","0.1782","0.065","","0.1599","0.1514","","","","1.152","2.081","2.081","","","","","has coordinates,has disorder","179277","2020-10-21","18:00:00","" "4319753","10.507","0.002","13.098","0.003","25.151","0.005","78.85","0.02","87.33","0.01","75.59","0.02","3289.1","1.2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C64.5 H58 Er N3 O13.5 P4 -","- C64.5 H58 Er N3 O13.5 P4 -","- C129 H116 Er2 N6 O27 P8 -","2","1","","Yun-Chou Tan; Xin-Min Gan; Jesse L. Stanchfield; Eileen N. Duesler; R. T. Paine","Synthesis and Coordination Chemistry of 1,3-Bis(diphenylphosphinomethyl)benzene P,P'-Dioxide","Inorganic Chemistry","2001","40","","2910","2913","10.1021/ic0012367","","","0.71073","MoKα","","0.1055","0.0548","","0.1387","0.1232","","","","0.995","1.358","1.358","","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00","" "4319754","13.435","0.003","11.973","0.002","16.352","0.003","90","","103.71","0.03","90","","2555.4","0.9","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C29 H33 N5 -","- C29 H33 N5 -","- C116 H132 N20 -","4","2","","Gilles Muller; Jean-Claude G. Bünzli; Kurt J. Schenk; Claude Piguet; Gérard Hopfgartner","Influence of Bulky N-Substituents on the Formation of Lanthanide Triple Helical Complexes with a Ligand Derived from Bis(benzimidazole)pyridine: Structural and Thermodynamic Evidence","Inorganic Chemistry","2001","40","","2642","2651","10.1021/ic001289o","","","0.71073","MoKα","","0.0752","0.0391","","","0.0903","0.1134","","","","","","1.118","","","","has coordinates","179277","2020-10-21","18:00:00","" "4319755","14.166","0.003","19.212","0.004","21.099","0.004","108.91","0.03","98.22","0.03","108.4","0.03","4958","3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C94.4 H109.7 Cl3 Eu N18.7 O12 -","- C95.4 Cl3 Eu N19.2 O12 -","- C190.8 Cl6 Eu2 N38.4 O24 -","2","1","","Gilles Muller; Jean-Claude G. Bünzli; Kurt J. Schenk; Claude Piguet; Gérard Hopfgartner","Influence of Bulky N-Substituents on the Formation of Lanthanide Triple Helical Complexes with a Ligand Derived from Bis(benzimidazole)pyridine: Structural and Thermodynamic Evidence","Inorganic Chemistry","2001","40","","2642","2651","10.1021/ic001289o","","","0.71073","MoKα","","0.0918","0.0767","","0.2022","0.1947","","","","1.479","1.581","1.581","","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00","" "4319756","10.8663","0.0004","10.8991","0.0004","16.0803","0.0006","92.728","0.001","90.921","0.001","103.121","0.001","1851.91","0.12","300","2","300","2","","","","","","","","6","P -1","-P 1","2","","","","- C37 H39 N4 O4 Ru Si -","- C37 H39 N4 O4 Ru Si -","- C74 H78 N8 O8 Ru2 Si2 -","2","1","","Guolin Xu; Tong Ren","Axial Butadiynyl Adducts on a Tetrakis- (di(m-methoxyphenyl)formamidinato)diruthenium Core: First Examples of M-M Bonded Complexes Containing σ-Poly-ynyl Ligand","Inorganic Chemistry","2001","40","","2925","2927","10.1021/ic0012930","","","0.71073","MoKα","","0.0366","0.0296","","","0.0732","0.0764","","","","","","1.037","","","","has coordinates,has disorder","179277","2020-10-21","18:00:00","" "4319757","25.7964","0.0013","16.4755","0.0008","30.677","0.0015","90","","90","","90","","13038","1.1","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C67 H69 N8 O8 Ru2 Si -","- C67 H54 N8 O8 Ru2 Si -","- C536 H432 N64 O64 Ru16 Si8 -","8","1","","Guolin Xu; Tong Ren","Axial Butadiynyl Adducts on a Tetrakis- (di(m-methoxyphenyl)formamidinato)diruthenium Core: First Examples of M-M Bonded Complexes Containing σ-Poly-ynyl Ligand","Inorganic Chemistry","2001","40","","2925","2927","10.1021/ic0012930","","","0.71073","MoKα","","0.0733","0.0385","","","0.0892","0.1197","","","","","","1.183","","","","has coordinates,has disorder","179277","2020-10-21","18:00:00","" "4319758","20.962","0.002","21.07","0.002","23.672","0.002","90","0.009","93.67","0.009","90","0.009","10433.8","1.7","170","","170","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C70 H170 Cl4 N2 O16 Sb4 Si6 -","- C70 Cl4 N2 O16 Sb4 Si6 -","- C280 Cl16 N8 O64 Sb16 Si24 -","4","1","","Y. Kusaka; Y. Ozawa; A. Yagasaki","A New Polyantimonate with an Sb4O16 Core","Inorganic Chemistry","2001","40","","2634","2635","10.1021/ic001308u","","","0.331","Synchrotron","","0.286","0.095","","0.405","","0.242","","","1.301","","","1.376","","","","has coordinates","176432","2020-10-21","18:00:00","" "4319759","14.329","0.0007","16.367","0.0009","22.307","0.0013","90","","95.985","0.003","90","","5203","0.5","120","","120","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C72 H172 N3 O16 Sb4 Si6 -","- C72 N4 O16 Sb4 Si6 -","- C144 N8 O32 Sb8 Si12 -","2","0.5","","Y. Kusaka; Y. Ozawa; A. Yagasaki","A New Polyantimonate with an Sb4O16 Core","Inorganic Chemistry","2001","40","","2634","2635","10.1021/ic001308u","","","0.7107","MoKα","","0.117","0.063","","43.378","","0.182","","","268.633","","","1.463","","","","has coordinates","176432","2020-10-21","18:00:00","" "4319760","17.9423","0.0015","10.1655","0.0009","17.4672","0.0015","90","","108.984","0.002","90","","3012.6","0.5","90","2","90","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","NacNacInCl2","","","- C29 H41 Br0.5 Cl1.5 In N2 -","- C29 H41 Br0.4931 Cl1.4931 In N2 -","- C116 H164 Br1.9724 Cl5.9724 In4 N8 -","4","1","","Matthias Stender; Barrett E. Eichler; Ned J. Hardman; Philip P. Power; Jörg Prust; Mathias Noltemeyer; Herbert W. Roesky","Synthesis and Characterization of HC{C(Me)N(C6H3-2,6-i-Pr2)}2MX2 (M = Al, X = Cl, I; M = Ga, In, X = Me, Cl, I): Sterically Encumbered β-Diketiminate Group 13 Metal Derivatives","Inorganic Chemistry","2001","40","","2794","2799","10.1021/ic001311d","","","0.71073","MoKα","","0.0455","0.0323","","","0.0744","0.081","","","","","","1.015","","","","has coordinates","176467","2020-10-21","18:00:00","" "4319761","17.0709","0.0013","13.0948","0.001","13.7356","0.001","90","","108.432","0.002","90","","2912.9","0.4","90","2","90","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","NacNacGaCl2","","","- C29 H41 Cl2 Ga N2 -","- C29 H41 Cl2 Ga N2 -","- C116 H164 Cl8 Ga4 N8 -","4","1","","Matthias Stender; Barrett E. Eichler; Ned J. Hardman; Philip P. Power; Jörg Prust; Mathias Noltemeyer; Herbert W. Roesky","Synthesis and Characterization of HC{C(Me)N(C6H3-2,6-i-Pr2)}2MX2 (M = Al, X = Cl, I; M = Ga, In, X = Me, Cl, I): Sterically Encumbered β-Diketiminate Group 13 Metal Derivatives","Inorganic Chemistry","2001","40","","2794","2799","10.1021/ic001311d","","","0.71073","MoKα","","0.0564","0.04","","","0.1025","0.1118","","","","","","1.022","","","","has coordinates","179277","2020-10-21","18:00:00","" "4319762","12.6644","0.0005","19.3511","0.0008","13.3291","0.0005","90","","117.002","0.001","90","","2910.5","0.2","90","2","90","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","NacNacGaMe2","","","- C31 H47 Ga N2 -","- C31 H47 Ga N2 -","- C124 H188 Ga4 N8 -","4","1","","Matthias Stender; Barrett E. Eichler; Ned J. Hardman; Philip P. Power; Jörg Prust; Mathias Noltemeyer; Herbert W. Roesky","Synthesis and Characterization of HC{C(Me)N(C6H3-2,6-i-Pr2)}2MX2 (M = Al, X = Cl, I; M = Ga, In, X = Me, Cl, I): Sterically Encumbered β-Diketiminate Group 13 Metal Derivatives","Inorganic Chemistry","2001","40","","2794","2799","10.1021/ic001311d","","","0.71073","MoKα","","0.0696","0.0431","","","0.1075","0.1197","","","","","","1.03","","","","has coordinates","179277","2020-10-21","18:00:00","" "4319763","17.9413","0.0007","9.9216","0.0004","17.1167","0.0007","90","","108.842","0.001","90","","2883.6","0.2","90","2","90","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","NacNacAlCl2","","","- C29 H41 Al Cl2 N2 -","- C29 H41 Al Cl2 N2 -","- C116 H164 Al4 Cl8 N8 -","4","1","","Matthias Stender; Barrett E. Eichler; Ned J. Hardman; Philip P. Power; Jörg Prust; Mathias Noltemeyer; Herbert W. Roesky","Synthesis and Characterization of HC{C(Me)N(C6H3-2,6-i-Pr2)}2MX2 (M = Al, X = Cl, I; M = Ga, In, X = Me, Cl, I): Sterically Encumbered β-Diketiminate Group 13 Metal Derivatives","Inorganic Chemistry","2001","40","","2794","2799","10.1021/ic001311d","","","0.71073","MoKα","","0.0443","0.0326","","","0.0896","0.1005","","","","","","0.864","","","","has coordinates","179277","2020-10-21","18:00:00","" "4319764","18.7802","0.0008","8.6647","0.0004","20.3412","0.0008","90","","113.036","0.001","90","","3046.1","0.2","90","2","90","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","NacNacInI2","","","- C29 H41 I2 In N2 -","- C29 H41 I2 In N2 -","- C116 H164 I8 In4 N8 -","4","1","","Matthias Stender; Barrett E. Eichler; Ned J. Hardman; Philip P. Power; Jörg Prust; Mathias Noltemeyer; Herbert W. Roesky","Synthesis and Characterization of HC{C(Me)N(C6H3-2,6-i-Pr2)}2MX2 (M = Al, X = Cl, I; M = Ga, In, X = Me, Cl, I): Sterically Encumbered β-Diketiminate Group 13 Metal Derivatives","Inorganic Chemistry","2001","40","","2794","2799","10.1021/ic001311d","","","0.71073","MoKα","","0.0284","0.0211","","","0.0434","0.0457","","","","","","1.021","","","","has coordinates","179277","2020-10-21","18:00:00","" "4319765","10.3346","0.0004","12.5671","0.0005","12.908","0.0005","69.829","0.001","76.852","0.001","74.993","0.001","1502.19","0.1","90","2","90","2","","","","","","","","4","P -1","-P 1","2","NacNacInMe2","","","- C31 H47 In N2 -","- C31 H47 In N2 -","- C62 H94 In2 N4 -","2","1","","Matthias Stender; Barrett E. Eichler; Ned J. Hardman; Philip P. Power; Jörg Prust; Mathias Noltemeyer; Herbert W. Roesky","Synthesis and Characterization of HC{C(Me)N(C6H3-2,6-i-Pr2)}2MX2 (M = Al, X = Cl, I; M = Ga, In, X = Me, Cl, I): Sterically Encumbered β-Diketiminate Group 13 Metal Derivatives","Inorganic Chemistry","2001","40","","2794","2799","10.1021/ic001311d","","","0.71073","MoKα","","0.0242","0.0215","","","0.0551","0.0562","","","","","","1.05","","","","has coordinates","179277","2020-10-21","18:00:00","" "4319766","18.8237","0.0007","8.619","0.0003","20.072","0.0007","90","","113.388","0.001","90","","2988.95","0.19","90","2","90","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","NacNacGaI2","","","- C29 H41 Ga I2 N2 -","- C29 H41 Ga I2 N2 -","- C116 H164 Ga4 I8 N8 -","4","1","","Matthias Stender; Barrett E. Eichler; Ned J. Hardman; Philip P. Power; Jörg Prust; Mathias Noltemeyer; Herbert W. Roesky","Synthesis and Characterization of HC{C(Me)N(C6H3-2,6-i-Pr2)}2MX2 (M = Al, X = Cl, I; M = Ga, In, X = Me, Cl, I): Sterically Encumbered β-Diketiminate Group 13 Metal Derivatives","Inorganic Chemistry","2001","40","","2794","2799","10.1021/ic001311d","","","0.71073","MoKα","","0.0216","0.0185","","","0.0504","0.0528","","","","","","0.659","","","","has coordinates","255805","2020-10-21","18:00:00","" "4319767","10.4601","0.0011","32.321","0.037","18.7981","0.0014","90","","105.94","0.02","90","","6111","7","213","2","213","2","","","","","","","synthesis","4","P 1 21/n 1","-P 2yn","14","","","","- C75 H64 Cr2 N12 -","- C75 H64 Cr2 N12 -","- C300 H256 Cr8 N48 -","4","1","","F. Albert Cotton; Lee M. Daniels; Peng Lei; Carlos A. Murillo; Xiaoping Wang","Di- and Trinuclear Complexes with the Mono- and Dianion of 2,6-Bis(phenylamino)pyridine: High-Field Displacement of Chemical Shifts Due to the Magnetic Anisotropy of Quadruple Bonds","Inorganic Chemistry","2001","40","","2778","2784","10.1021/ic001376g","","","0.71073","MoKα","","0.0784","0.0608","","0.155","0.1357","","","","1.145","1.129","1.129","","","","","has coordinates,has disorder","179277","2020-10-21","18:00:00","" "4319768","10.601","0.002","32.432","0.002","18.809","0.004","90","","106.149","0.009","90","","6211.6","1.8","213","2","213","2","","","","","","","synthesis","4","P 1 21/n 1","-P 2yn","14","","","","- C75 H64 Mo2 N12 -","- C75.001 H56 Mo2 N12 -","- C300.004 H224 Mo8 N48 -","4","1","","F. Albert Cotton; Lee M. Daniels; Peng Lei; Carlos A. Murillo; Xiaoping Wang","Di- and Trinuclear Complexes with the Mono- and Dianion of 2,6-Bis(phenylamino)pyridine: High-Field Displacement of Chemical Shifts Due to the Magnetic Anisotropy of Quadruple Bonds","Inorganic Chemistry","2001","40","","2778","2784","10.1021/ic001376g","","","0.71073","MoKα","","0.0605","0.0485","","0.1384","0.1202","","","","1.135","1.103","1.103","","","","","has coordinates,has disorder","179277","2020-10-21","18:00:00","" "4319769","14.521","0.005","25.003","0.005","17.664","0.004","90","","108.03","0.03","90","","6098","3","213","2","213","2","","","","","","","synthesis","4","C 1 2/c 1","-C 2yc","15","","","","- C74 H70 Cr2 N12 -","- C74.03 H56 Cr2 N12 -","- C296.12 H224 Cr8 N48 -","4","0.5","","F. Albert Cotton; Lee M. Daniels; Peng Lei; Carlos A. Murillo; Xiaoping Wang","Di- and Trinuclear Complexes with the Mono- and Dianion of 2,6-Bis(phenylamino)pyridine: High-Field Displacement of Chemical Shifts Due to the Magnetic Anisotropy of Quadruple Bonds","Inorganic Chemistry","2001","40","","2778","2784","10.1021/ic001376g","","","0.71073","MoKα","","0.1099","0.0802","","0.2425","0.2033","","","","1.122","1.104","1.104","","","","","has coordinates","179277","2020-10-21","18:00:00","" "4319770","31.483","0.006","14.08","0.002","26.842","0.004","90","","123.385","0.003","90","","9935","3","213","2","213","2","","","","","","","synthesis","5","C 1 2/c 1","-C 2yc","15","","","","- C108 H140 Cr3 N14 O2 -","- C108 H140 Cr3 N14 O2 -","- C432 H560 Cr12 N56 O8 -","4","0.5","","F. Albert Cotton; Lee M. Daniels; Peng Lei; Carlos A. Murillo; Xiaoping Wang","Di- and Trinuclear Complexes with the Mono- and Dianion of 2,6-Bis(phenylamino)pyridine: High-Field Displacement of Chemical Shifts Due to the Magnetic Anisotropy of Quadruple Bonds","Inorganic Chemistry","2001","40","","2778","2784","10.1021/ic001376g","","","0.71073","MoKα","","0.109","0.0764","","0.2162","0.1873","","","","1.169","1.235","1.235","","","","","has coordinates,has disorder","179277","2020-10-21","18:00:00","" "4319771","31.729","0.002","13.7505","0.0008","27.167","0.002","90","","125.104","0.001","90","","9696.8","1.1","213","2","213","2","","","","","","","synthesis","5","C 1 2/c 1","-C 2yc","15","","","","- C108 H140 N14 Ni3 O2 -","- C108 H124 N14 Ni3 O2 -","- C432 H496 N56 Ni12 O8 -","4","0.5","","F. Albert Cotton; Lee M. Daniels; Peng Lei; Carlos A. Murillo; Xiaoping Wang","Di- and Trinuclear Complexes with the Mono- and Dianion of 2,6-Bis(phenylamino)pyridine: High-Field Displacement of Chemical Shifts Due to the Magnetic Anisotropy of Quadruple Bonds","Inorganic Chemistry","2001","40","","2778","2784","10.1021/ic001376g","","","0.71073","MoKα","","0.1741","0.112","","0.2788","0.2393","","","","1.334","1.479","1.479","","","","","has coordinates","179277","2020-10-21","18:00:00","" "4319772","14.432","0.003","14.544","0.003","15.448","0.003","90","","96.97","0.03","90","","3218.6","1.1","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C23 H25 Cl4 Co N8 O6 -","- C23 H25 Cl4 Co N8 O6 -","- C92 H100 Cl16 Co4 N32 O24 -","4","1","","Delia M. Ciurtin; Yu-Bin Dong; Mark D. Smith; Tosha Barclay; Hans-Conrad zur Loye","Two Versatile N,N'-Bipyridine-Type Ligands for Preparing Organic-Inorganic Coordination Polymers: New Cobalt- and Nickel-Containing Framework Materials","Inorganic Chemistry","2001","40","","2825","2834","10.1021/ic0014336","","","0.7107","MoKα","","0.0754","0.056","","","0.1483","0.1618","","","","","","1.041","","","","has coordinates","179277","2020-10-21","18:00:00","" "4319773","3.856","0.0008","11.032","0.002","12.738","0.003","90","","92.21","0.03","90","","541.5","0.2","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C12 H10 N4 -","- C12 H10 N4 -","- C24 H20 N8 -","2","0.5","","Delia M. Ciurtin; Yu-Bin Dong; Mark D. Smith; Tosha Barclay; Hans-Conrad zur Loye","Two Versatile N,N'-Bipyridine-Type Ligands for Preparing Organic-Inorganic Coordination Polymers: New Cobalt- and Nickel-Containing Framework Materials","Inorganic Chemistry","2001","40","","2825","2834","10.1021/ic0014336","","","0.7107","MoKα","","0.0635","0.0398","","","0.1011","0.1153","","","","","","1.069","","","","has coordinates","179277","2020-10-21","18:00:00","" "4319774","10.885","0.002","4.6131","0.0009","14.978","0.003","90","","92.827","0.004","90","","751.2","0.3","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H18 N4 O2 -","- C14 H18 N4 O2 -","- C28 H36 N8 O4 -","2","0.5","","Delia M. Ciurtin; Yu-Bin Dong; Mark D. Smith; Tosha Barclay; Hans-Conrad zur Loye","Two Versatile N,N'-Bipyridine-Type Ligands for Preparing Organic-Inorganic Coordination Polymers: New Cobalt- and Nickel-Containing Framework Materials","Inorganic Chemistry","2001","40","","2825","2834","10.1021/ic0014336","","","0.71073","MoKα","","0.0897","0.0602","","","0.1703","0.1824","","","","","","1.06","","","","has coordinates","179277","2020-10-21","18:00:00","" "4319775","10.242","0.007","10.802","0.007","15.1","0.01","70.031","0.01","75.168","0.011","76.155","0.011","1496.5","1.7","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C20 H19 Cl4 Co N8 O7 -","- C20 H19 Cl4 Co N8 O7 -","- C40 H38 Cl8 Co2 N16 O14 -","2","1","","Delia M. Ciurtin; Yu-Bin Dong; Mark D. Smith; Tosha Barclay; Hans-Conrad zur Loye","Two Versatile N,N'-Bipyridine-Type Ligands for Preparing Organic-Inorganic Coordination Polymers: New Cobalt- and Nickel-Containing Framework Materials","Inorganic Chemistry","2001","40","","2825","2834","10.1021/ic0014336","","","0.71073","MoKα","","0.1161","0.0618","","","0.1422","0.17","","","","","","0.994","","","","has coordinates","179277","2020-10-21","18:00:00","" "4319776","20.815","0.008","23.427","0.009","17.291","0.006","90","","116.148","0.006","90","","7569","5","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C30.67 H34 N10 Ni O8 -","- C30.668 H34.002 N10 Ni O8 -","- C245.344 H272.016 N80 Ni8 O64 -","8","1","","Delia M. Ciurtin; Yu-Bin Dong; Mark D. Smith; Tosha Barclay; Hans-Conrad zur Loye","Two Versatile N,N'-Bipyridine-Type Ligands for Preparing Organic-Inorganic Coordination Polymers: New Cobalt- and Nickel-Containing Framework Materials","Inorganic Chemistry","2001","40","","2825","2834","10.1021/ic0014336","","","0.71073","MoKα","","0.105","0.0671","","","0.2019","0.227","","","","","","1.054","","","","has coordinates,has disorder","179277","2020-10-21","18:00:00","" "4319777","22.76","0.002","21.0103","0.0019","25.521","0.002","90","","97.151","0.002","90","","12109.1","1.8","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C55.5 H55.5 Co1.5 N15 O9 -","- C55.5 H55.5 Co1.5 N15 O9 -","- C444 H444 Co12 N120 O72 -","8","1","","Delia M. Ciurtin; Yu-Bin Dong; Mark D. Smith; Tosha Barclay; Hans-Conrad zur Loye","Two Versatile N,N'-Bipyridine-Type Ligands for Preparing Organic-Inorganic Coordination Polymers: New Cobalt- and Nickel-Containing Framework Materials","Inorganic Chemistry","2001","40","","2825","2834","10.1021/ic0014336","","","0.71073","MoKα","","0.0857","0.0631","","","0.1915","0.203","","","","","","0.996","","","","has coordinates","176467","2020-10-21","18:00:00","" "4319778","15.8523","0.0009","17.4382","0.001","29.3322","0.0016","99.617","0.001","105.45","0.001","101.132","0.001","7460.9","0.7","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- Ce2 H124 K0.5 N13.5 O157 P4 W34 -","- Ce2 K0.5 O170.5 P4 W34 -","- Ce4 K O341 P8 W68 -","2","1","","Masahiro Sadakane; Michael H. Dickman; Michael T. Pope","Chiral Polyoxotungstates. 1. Stereoselective Interaction of Amino Acids with Enantiomers of [CeIII(α1-P2W17O61)(H2O)x]7-. The Structure of dl-[Ce2(H2O)8(P2W17O61)2]14-","Inorganic Chemistry","2001","40","","2715","2719","10.1021/ic0014383","","","0.71073","MoKα","","0.0915","0.0519","","","0.1133","0.1346","","","","","","1.006","","","","has coordinates","176467","2020-10-21","18:00:00","" "4319779","33.2897","0.0001","14.9295","0.0001","17.3528","0.0002","90","","115.478","0.001","90","","7785.61","0.12","163.15","","163","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- Cs8 P12 S44 U5 -","- Cs8 P12 S44 U5 -","- Cs32 P48 S176 U20 -","4","0.5","","Ryan F. Hess; Kent D. Abney; Jennifer L. Burris; H. Dieter Hochheimer; Peter K. Dorhout","Synthesis and Characterization of Six New Quaternary Actinide Thiophosphate Compounds: Cs8U5(P3S10)2(PS4)6, K10Th3(P2S7)4(PS4)2, and A5An(PS4)3, (A = K, Rb, Cs; An = U, Th)","Inorganic Chemistry","2001","40","","2851","2859","10.1021/ic0014437","","","0.71073","MoKα","","0.1342","0.059","","0.1156","0.0862","","","","0.97","0.966","0.966","","","","","has coordinates","179277","2020-10-21","18:00:00","" "4319780","32.8085","0.0006","9.0482","0.0002","27.2972","0.0003","90","","125.72","0.001","90","","6579","0.2","163.15","","163","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- K10 P10 S36 Th3 -","- K10 P10 S36 Th3 -","- K40 P40 S144 Th12 -","4","0.5","","Ryan F. Hess; Kent D. Abney; Jennifer L. Burris; H. Dieter Hochheimer; Peter K. Dorhout","Synthesis and Characterization of Six New Quaternary Actinide Thiophosphate Compounds: Cs8U5(P3S10)2(PS4)6, K10Th3(P2S7)4(PS4)2, and A5An(PS4)3, (A = K, Rb, Cs; An = U, Th)","Inorganic Chemistry","2001","40","","2851","2859","10.1021/ic0014437","","","0.71073","MoKα","","0.0546","0.0346","","0.0714","0.0648","","","","1.029","1.053","1.053","","","","","has coordinates","179277","2020-10-21","18:00:00","" "4319781","9.7436","0.0001","11.3894","0.0002","20.0163","0.0003","90","","90.041","0.001","90","","2221.28","0.06","163","2","163","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- K5 P3 S12 Th -","- K5 P3 S12 Th -","- K20 P12 S48 Th4 -","4","1","","Ryan F. Hess; Kent D. Abney; Jennifer L. Burris; H. Dieter Hochheimer; Peter K. Dorhout","Synthesis and Characterization of Six New Quaternary Actinide Thiophosphate Compounds: Cs8U5(P3S10)2(PS4)6, K10Th3(P2S7)4(PS4)2, and A5An(PS4)3, (A = K, Rb, Cs; An = U, Th)","Inorganic Chemistry","2001","40","","2851","2859","10.1021/ic0014437","","","0.71073","MoKα","","0.0449","0.0363","","0.078","0.0745","","","","1.025","1.042","1.042","","","","","has coordinates","179277","2020-10-21","18:00:00","" "4319782","13.197","0.004","9.997","0.004","18.189","0.007","90","","100.773","0.011","90","","2357.4","1.5","163.15","","163","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- P3 Rb5 S12 Th -","- P3 Rb5 S12 Th -","- P12 Rb20 S48 Th4 -","4","1","","Ryan F. Hess; Kent D. Abney; Jennifer L. Burris; H. Dieter Hochheimer; Peter K. Dorhout","Synthesis and Characterization of Six New Quaternary Actinide Thiophosphate Compounds: Cs8U5(P3S10)2(PS4)6, K10Th3(P2S7)4(PS4)2, and A5An(PS4)3, (A = K, Rb, Cs; An = U, Th)","Inorganic Chemistry","2001","40","","2851","2859","10.1021/ic0014437","","","0.71073","MoKα","","0.091","0.0501","","0.1111","0.0969","","","","0.926","1.007","1.007","","","","","has coordinates","179277","2020-10-21","18:00:00","" "4319783","13.562","","10.3007","0.0001","18.6738","0.0001","90","","100.67","0.001","90","","2563.59","0.03","163.15","","163","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- Cs5 P3 S12 Th -","- Cs5 P3 S12 Th -","- Cs20 P12 S48 Th4 -","4","1","","Ryan F. Hess; Kent D. Abney; Jennifer L. Burris; H. Dieter Hochheimer; Peter K. Dorhout","Synthesis and Characterization of Six New Quaternary Actinide Thiophosphate Compounds: Cs8U5(P3S10)2(PS4)6, K10Th3(P2S7)4(PS4)2, and A5An(PS4)3, (A = K, Rb, Cs; An = U, Th)","Inorganic Chemistry","2001","40","","2851","2859","10.1021/ic0014437","","","0.71073","MoKα","","0.0611","0.0452","","0.1182","0.1092","","","","1.041","1.071","1.071","","","","","has coordinates","179277","2020-10-21","18:00:00","" "4319784","14.6132","0.0001","17.0884","0.0002","9.7082","0.0001","90","","108.63","","90","","2297.26","0.04","163","2","163","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- K5 P3 S12 U -","- K5 P3 S12 U -","- K20 P12 S48 U4 -","4","1","","Ryan F. Hess; Kent D. Abney; Jennifer L. Burris; H. Dieter Hochheimer; Peter K. Dorhout","Synthesis and Characterization of Six New Quaternary Actinide Thiophosphate Compounds: Cs8U5(P3S10)2(PS4)6, K10Th3(P2S7)4(PS4)2, and A5An(PS4)3, (A = K, Rb, Cs; An = U, Th)","Inorganic Chemistry","2001","40","","2851","2859","10.1021/ic0014437","","","0.71073","MoKα","","0.0618","0.0376","","0.0744","0.0681","","","","1.187","1.258","1.258","","","","","has coordinates","179277","2020-10-21","18:00:00","" "4319785","11.417","0.014","14.664","0.017","16.252","0.017","64.72","0.01","89.79","0.01","67.53","0.01","2232","4","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C37 H41 Cl2 K N4 O12 Re -","- C37 H41 Cl2 K N4 O12 Re -","- C74 H82 Cl4 K2 N8 O24 Re2 -","2","1","","Lindsay H. Uppadine; James E. Redman; Simon W. Dent; Michael G. B. Drew; Paul D. Beer","Ion Pair Cooperative Binding of Potassium Salts by New Rhenium(I) Bipyridine Crown Ether Receptors","Inorganic Chemistry","2001","40","","2860","2869","10.1021/ic001450v","","","0.71073","MoKα","","0.2732","0.0918","","","0.1878","0.255","","","","","","0.846","","","","has coordinates","179277","2020-10-21","18:00:00","" "4319786","10.874","0.003","10.767","0.003","18.868","0.004","90","","101.555","0.012","90","","2164.3","1","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C48 H50 N8 P2 -","- C48 H50 N8 P2 -","- C96 H100 N16 P4 -","2","0.5","","Rudolf J. Wehmschulte; Masood A. Khan; Shawn I. Hossain","Reaction of m-Terphenyldichlorophosphanes with Sodium Azide: Synthesis and Characterization of Stable Azidocyclophosphazenes","Inorganic Chemistry","2001","40","","2756","2762","10.1021/ic0014538","","","0.71073","MoKα","","0.0885","0.0713","","","0.2015","0.2204","","","","","","1.028","","","","has coordinates","179277","2020-10-21","18:00:00","" "4319787","11.931","0.001","12.135","0.002","17.23","0.002","104.92","0.01","96.18","0.01","93.33","0.01","2386.9","0.5","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C26 H29 Cl2 P -","- C26 H29 Cl2 P -","- C104 H116 Cl8 P4 -","4","2","","Rudolf J. Wehmschulte; Masood A. Khan; Shawn I. Hossain","Reaction of m-Terphenyldichlorophosphanes with Sodium Azide: Synthesis and Characterization of Stable Azidocyclophosphazenes","Inorganic Chemistry","2001","40","","2756","2762","10.1021/ic0014538","","","0.71073","MoKα","","0.0525","0.0416","","0.1144","","0.104","","","1.029","","","1.061","","","","has coordinates","179277","2020-10-21","18:00:00","" "4319788","11.4044","0.0011","13.1141","0.0015","27.954","0.003","99.744","0.008","91.285","0.008","102.586","0.008","4013.8","0.8","163","2","163","2","","","","","","","","4","P -1","-P 1","2","","","","- C84 H101 N12 P3 -","- C84 H101 N12 P3 -","- C168 H202 N24 P6 -","2","1","","Rudolf J. Wehmschulte; Masood A. Khan; Shawn I. Hossain","Reaction of m-Terphenyldichlorophosphanes with Sodium Azide: Synthesis and Characterization of Stable Azidocyclophosphazenes","Inorganic Chemistry","2001","40","","2756","2762","10.1021/ic0014538","","","0.71073","MoKα","","0.0991","0.0626","","","0.1525","0.176","","","","","","1.02","","","","has coordinates,has disorder","179277","2020-10-21","18:00:00","" "4319789","8.0597","0.0006","8.204","0.0006","10.285","0.0008","72.184","0.001","84.18","0.001","76.625","0.001","629.54","0.08","120","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C10 H8 N2 O6 V2 Zn -","- C10 H8 N2 O6 V2 Zn -","- C20 H16 N4 O12 V4 Zn2 -","2","1","","Pamela J. Hagrman; Jon Zubieta","Hydrothermal Syntheses and Structural Characterizations of Organic-Inorganic Hybrid Materials of the M(II)-Ligand/Vanadium Oxide System (M(II) = Cu(II) and Zn(II); Ligand = 2,2'-Bipyridine and 2,2':6',2''-Terpyridine)","Inorganic Chemistry","2001","40","","2800","2809","10.1021/ic010024m","","","0.71073","MoKα","","0.032","0.0285","","","0.0683","0.0706","","","","","","1.111","","","","has coordinates","179277","2020-10-21","18:00:00","" "4319790","8.0679","0.0002","9.6449","0.0003","11.6379","0.0003","85.648","0.001","72.627","0.001","72.734","0.001","825.25","0.04","120","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C10 H8 Cu N2 O10.5 V4 -","- C10 H8 Cu N2 O10.5 V4 -","- C20 H16 Cu2 N4 O21 V8 -","2","1","","Pamela J. Hagrman; Jon Zubieta","Hydrothermal Syntheses and Structural Characterizations of Organic-Inorganic Hybrid Materials of the M(II)-Ligand/Vanadium Oxide System (M(II) = Cu(II) and Zn(II); Ligand = 2,2'-Bipyridine and 2,2':6',2''-Terpyridine)","Inorganic Chemistry","2001","40","","2800","2809","10.1021/ic010024m","","","0.71073","MoKα","","0.043","0.0303","","","0.0635","0.068","","","","","","1.075","","","","has coordinates","176467","2020-10-21","18:00:00","" "4319791","16.2789","0.0004","10.5658","0.0003","18.8712","0.0005","90","","90","","90","","3245.84","0.15","96","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C15 H11 Cu N3 O6 V2 -","- C15 H11 Cu N3 O6 V2 -","- C120 H88 Cu8 N24 O48 V16 -","8","1","","Pamela J. Hagrman; Jon Zubieta","Hydrothermal Syntheses and Structural Characterizations of Organic-Inorganic Hybrid Materials of the M(II)-Ligand/Vanadium Oxide System (M(II) = Cu(II) and Zn(II); Ligand = 2,2'-Bipyridine and 2,2':6',2''-Terpyridine)","Inorganic Chemistry","2001","40","","2800","2809","10.1021/ic010024m","","","0.71073","MoKα","","0.0933","0.0513","","","0.0801","0.0906","","","","","","1.072","","","","has coordinates","179277","2020-10-21","18:00:00","" "4319792","9.6981","0.0008","10.1729","0.0009","11.1223","0.001","66.556","0.002","81.654","0.002","74.412","0.002","968.78","0.15","96","2","293","2","","","","","","","","6","P 1","P 1","1","","","","- C30 H22 N6 O17 V6 Zn2 -","- C30 H22 N6 O17 V6 Zn2 -","- C30 H22 N6 O17 V6 Zn2 -","1","1","","Pamela J. Hagrman; Jon Zubieta","Hydrothermal Syntheses and Structural Characterizations of Organic-Inorganic Hybrid Materials of the M(II)-Ligand/Vanadium Oxide System (M(II) = Cu(II) and Zn(II); Ligand = 2,2'-Bipyridine and 2,2':6',2''-Terpyridine)","Inorganic Chemistry","2001","40","","2800","2809","10.1021/ic010024m","","","0.71073","MoKα","","0.0374","0.0313","","","0.0731","0.0754","","","","","","0.995","","","","has coordinates","179277","2020-10-21","18:00:00","" "4319793","12.5283","0.0011","15.0256","0.0014","17.79","0.0016","90.35","0.002","99.36","0.002","107.937","0.002","3138.1","0.5","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H43 Br2 Cu N2 -","- C28 H43 Br2 Cu N2 -","- C112 H172 Br8 Cu4 N8 -","4","2","","Tomislav Pintauer; Jian Qiu; Guido Kickelbick; Krzysztof Matyjaszewski","Synthesis, Characterization, and Bromine Substitution by 4,4'-Di(5-nonyl)-2,2'-bipyridine in CuII(4,4'-di(5-nonyl)-2,2'-bipyridine)Br2","Inorganic Chemistry","2001","40","","2818","2824","10.1021/ic0100267","","","0.71073","MoKα","","0.1049","0.0581","","","0.1373","0.1663","","","","","","1.012","","","","has coordinates","192782","2020-10-21","18:00:00","" "4319794","23.001","0.003","23.001","0.003","4.649","0.001","90","","90","","120","","2130","0.6","293","2","293","2","","","","","","","","5","R 3 :H","R 3","146","","","","- C9 H8.67 Ag N O3.33 -","- C9 H7 Ag N O3.33333 -","- C81 H63 Ag9 N9 O30 -","9","1","","Andrea Erxleben","Synthesis and Structure of {[Ag(SalGly)].0.33H2O}n: An Infinite Double Helical Coordination Polymer","Inorganic Chemistry","2001","40","","2928","2931","10.1021/ic010028r","","","0.71069","MoKα","","0.0587","0.0501","","0.1731","0.1509","","","","1.146","1.154","1.154","","","","","has coordinates","192782","2020-10-21","18:00:00","" "4319795","8.455","0.001","25.509","0.001","6.461","0.001","90","","96.15","0.01","90","","1385.5","0.3","293","2","293","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C6 H14 Ag2 N4 O10 -","- C6 H8 Ag2 N4 O10 -","- C24 H32 Ag8 N16 O40 -","4","1","","Andrea Erxleben","Synthesis and Structure of {[Ag(SalGly)].0.33H2O}n: An Infinite Double Helical Coordination Polymer","Inorganic Chemistry","2001","40","","2928","2931","10.1021/ic010028r","","","0.71069","MoKα","","0.0411","0.0245","","0.1293","0.062","","","","1.061","1.118","1.118","","","","","has coordinates","192782","2020-10-21","18:00:00","" "4319796","8.944","0.0013","9.246","0.0014","11.688","0.002","79.151","0.003","79.863","0.003","74.143","0.002","905.2","0.2","183","2","183","2","","","","","","","","4","P -1","-P 1","2","","","","- C19 H25 N3 O -","- C19 H25 N3 O -","- C38 H50 N6 O2 -","2","1","","Mikhail V. Barybin; Paula L. Diaconescu; Christopher C. Cummins","Coordination Chemistry of a Chelating Amidoximato Ligand","Inorganic Chemistry","2001","40","","2892","2897","10.1021/ic0100370","","","0.71073","MoKα","","0.0592","0.0482","","0.1322","0.1223","","","","1.057","1.081","1.081","","","","","has coordinates","201982","2020-10-21","18:00:00","" "4319797","13.106","0.002","16.438","0.002","17.577","0.003","71.248","0.002","78.844","0.003","83.178","0.003","3511.4","0.9","183","2","183","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H30 Al N3 O -","- C24 H30 Al N3 O -","- C144 H180 Al6 N18 O6 -","6","3","","Mikhail V. Barybin; Paula L. Diaconescu; Christopher C. Cummins","Coordination Chemistry of a Chelating Amidoximato Ligand","Inorganic Chemistry","2001","40","","2892","2897","10.1021/ic0100370","","","0.71073","MoKα","","0.1283","0.083","","0.2572","0.2195","","","","0.995","1.089","1.089","","","","","has coordinates","179277","2020-10-21","18:00:00","" "4319798","12.8446","0.0013","15.318","0.002","24.132","0.002","90","","90","","90","","4748.1","0.9","183","2","183","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C22 H30 Cr N3 O4 -","- C22 H30 Cr N3 O4 -","- C176 H240 Cr8 N24 O32 -","8","1","","Mikhail V. Barybin; Paula L. Diaconescu; Christopher C. Cummins","Coordination Chemistry of a Chelating Amidoximato Ligand","Inorganic Chemistry","2001","40","","2892","2897","10.1021/ic0100370","","","0.71073","MoKα","","0.1037","0.0718","","0.1699","0.1537","","","","1.139","1.23","1.23","","","","","has coordinates","179277","2020-10-21","18:00:00","" "4319799","18.0179","0.0004","22.8589","0.0005","13.5102","0.0007","90","","90","","90","","5564.4","0.3","150","","150","","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C51 H94 Cl3 O3 P4 Re2 -","- C52 H96 Cl3 O5 P4 Re3 -","- C208 H384 Cl12 O20 P16 Re12 -","4","0.5","","Jitendra K. Bera; Phillip E. Fanwick; Richard A. Walton","Reaction of Re2(μ-O2CCH3)4Cl2 with Bis(dicyclohexylphosphino)methane (dcpm): Isolation of the Mixed-Valent Complex O3ReReCl(η2-dcpm)2 Containing an Unsupported Re-Re Bond","Inorganic Chemistry","2001","40","","2914","2917","10.1021/ic0100471","","","0.71073","MO-Kα","","","0.048","","","","0.106","","","","","","1.063","","","","has coordinates","179277","2020-10-21","18:00:00","" "4319800","13.9283","0.0006","13.9283","0.0006","7.3816","0.0004","90","","90","","120","","1240.16","0.1","218","2","218","2","","","","","","","","6","P 63/m","-P 6c","176","","","","- C3 H18 F9 O18 Pu S3 -","- C3 H18 F9 O18 Pu S3 -","- C6 H36 F18 O36 Pu2 S6 -","2","0.166667","","John H. Matonic; Brian L. Scott; Mary P. Neu","High-Yield Synthesis and Single-Crystal X-ray Structure of a Plutonium(III) Aquo Complex: [Pu(H2O)9][CF3SO3]3","Inorganic Chemistry","2001","40","","2638","2639","10.1021/ic015509p","","","0.71073","MoKα","","0.0292","0.0243","","0.0466","0.0452","","","","1.217","1.223","1.223","","","","","has coordinates","179278","2020-10-21","18:00:00","" "4319801","7.7856","0.0009","5.6264","0.0006","12.413","0.0014","90","","99.057","0.002","90","","536.97","0.1","293","0.2","293","0.2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- Cl3 H O6 Pb3 Se2 -","- Cl3 O6 Pb3 Se2 -","- Cl6 O12 Pb6 Se4 -","2","0.5","","Yetta Porter; P. Shiv Halasyamani","A Low Temperature Method for the Synthesis of New Lead Selenite Chlorides: Pb3(SeO3)(SeO2OH)Cl3 and Pb3(SeO3)2Cl2","Inorganic Chemistry","2001","40","","2640","2641","10.1021/ic015524u","","","0.71073","MoKα","","0.0558","0.0521","","0.1577","0.1552","","","","1.151","1.193","1.193","","","","","has coordinates","176467","2020-10-21","18:00:00","" "4319802","13.4213","0.0011","5.5809","0.0005","13","0.0011","90","","94.301","0.002","90","","971","0.14","293","0.2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- Cl2 O6 Pb3 Se2 -","- Cl2 O6 Pb3 Se2 -","- Cl8 O24 Pb12 Se8 -","4","0.5","","Yetta Porter; P. Shiv Halasyamani","A Low Temperature Method for the Synthesis of New Lead Selenite Chlorides: Pb3(SeO3)(SeO2OH)Cl3 and Pb3(SeO3)2Cl2","Inorganic Chemistry","2001","40","","2640","2641","10.1021/ic015524u","","","0.71073","MoKα","","0.0313","0.0289","","0.0843","0.0826","","","","1.001","1.017","1.017","","","","","has coordinates","179278","2020-10-21","18:00:00","" "4319803","11.8239","0.0005","13.0316","0.0007","15.0851","0.0009","92.237","0.005","99.544","0.004","90.658","0.004","2290.1","0.2","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C27 H27 F3 P Rh -","- C27 H27 F3 P Rh -","- C108 H108 F12 P4 Rh4 -","4","2","","José Vicente; Juan Gil-Rubio; Delia Bautista","Synthesis and Reactivity of Fluoro Complexes. Part 1. Cyclooctadiene Rhodium(I) Complexes","Inorganic Chemistry","2001","40","","2636","2637","10.1021/ic015526e","","","0.71073","MoKα","","0.0269","0.0211","","0.052","0.0507","","","","1.066","1.127","1.127","","","","","has coordinates","179278","2020-10-21","18:00:00","" "4319804","12.7652","0.0007","11.3795","0.0007","14.6419","0.0008","90","","95.728","0.004","90","","2116.3","0.2","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H27 F P Rh -","- C26 H27 F P Rh -","- C104 H108 F4 P4 Rh4 -","4","1","","José Vicente; Juan Gil-Rubio; Delia Bautista","Synthesis and Reactivity of Fluoro Complexes. Part 1. Cyclooctadiene Rhodium(I) Complexes","Inorganic Chemistry","2001","40","","2636","2637","10.1021/ic015526e","","","0.71073","MoKα","","0.0244","0.0205","","0.0498","0.049","","","","1.057","1.106","1.106","","","","","has coordinates","179278","2020-10-21","18:00:00","" "4319805","17.282","0.001","12.0452","0.0009","10.1336","0.0008","90","","116.301","0.002","90","","1891.1","0.2","250.2","","","","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C17 H23 Fe N5 O3 -","- C17 H23 Fe N5 O3 -","- C68 H92 Fe4 N20 O12 -","4","1","","Shinya Hayami; Zhong-ze Gu; Yasuaki Einaga; Yoshio Kobayasi; Yumiko Ishikawa; Yasuhiro Yamada; Akira Fujishima; Osamu Sato","A Novel LIESST Iron(II) Complex Exhibiting a High Relaxation Temperature","Inorganic Chemistry","2001","40","","3240","3242","10.1021/ic000708e","","","0.7107","MoKα","","","0.0382","","","","0.1093","","","","","","1.802","","","","has coordinates","176467","2020-10-21","18:00:00","" "4319806","11.0377","0.0006","11.1307","0.0005","13.6286","0.0007","82.941","0.001","84.877","0.001","60.826","0.001","1450.05","0.13","193","2","193","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H29 P S4 W -","- C28 H29 P S4 W -","- C56 H58 P2 S8 W2 -","2","1","","Naomi L. Kruhlak; Meiping Wang; P. Michael Boorman; Masood Parvez; Robert McDonald","Syntheses, Structures, and Stabilities of [PPh4][WS3(SR)] (R = iBu, iPr, tBu, Benzyl, Allyl) and [PPh4][MoS3(StBu)]","Inorganic Chemistry","2001","40","","3141","3148","10.1021/ic000970n","","","0.71073","MoKα","","0.0334","0.0282","","","0.0698","0.0717","","","","","","1.015","","","","has coordinates,has disorder","179278","2020-10-21","18:00:00","" "4319807","9.499","0.006","15.913","0.005","18.582","0.006","90","","99.29","0.04","90","","2772","2","170","","170","","","","","","","","synthesized by authors","5","P 1 21/c 1","-P 2ybc","14","","","","- C27 H27 P S4 W -","- C27 H27 P S4 W -","- C108 H108 P4 S16 W4 -","4","1","","Naomi L. Kruhlak; Meiping Wang; P. Michael Boorman; Masood Parvez; Robert McDonald","Syntheses, Structures, and Stabilities of [PPh4][WS3(SR)] (R = iBu, iPr, tBu, Benzyl, Allyl) and [PPh4][MoS3(StBu)]","Inorganic Chemistry","2001","40","","3141","3148","10.1021/ic000970n","","","0.7107","MoKα","","0.037","0.037","","0.027","0.027","","","","1.38","1.38","1.38","","","","","has coordinates","201982","2020-10-21","18:00:00","" "4319808","10.667","0.002","17.578","0.002","16.117","0.003","90","","101.67","0.01","90","","2959.5","0.9","296","","296","","","","","","","","synthesized by authors","5","P 1 21/n 1","-P 2yn","14","","","","- C28 H29 P S4 W -","- C28 H29 P S4 W -","- C112 H116 P4 S16 W4 -","4","1","","Naomi L. Kruhlak; Meiping Wang; P. Michael Boorman; Masood Parvez; Robert McDonald","Syntheses, Structures, and Stabilities of [PPh4][WS3(SR)] (R = iBu, iPr, tBu, Benzyl, Allyl) and [PPh4][MoS3(StBu)]","Inorganic Chemistry","2001","40","","3141","3148","10.1021/ic000970n","","","0.7107","MoKα","","0.044","0.044","","0.042","0.042","","","","1.72","1.72","1.72","","","","","has coordinates","201982","2020-10-21","18:00:00","" "4319809","10.558","0.003","17.477","0.003","15.954","0.003","90","","101.18","0.02","90","","2888","1.1","150","","150","","","","","","","","synthesized by authors","5","P 1 21/n 1","-P 2yn","14","","","","- C28 H29 Mo P S4 -","- C28 H29 Mo P S4 -","- C112 H116 Mo4 P4 S16 -","4","1","","Naomi L. Kruhlak; Meiping Wang; P. Michael Boorman; Masood Parvez; Robert McDonald","Syntheses, Structures, and Stabilities of [PPh4][WS3(SR)] (R = iBu, iPr, tBu, Benzyl, Allyl) and [PPh4][MoS3(StBu)]","Inorganic Chemistry","2001","40","","3141","3148","10.1021/ic000970n","","","0.7107","MoKα","","0.049","0.049","","0.048","0.048","","","","2.96","2.96","2.96","","","","","has coordinates","201982","2020-10-21","18:00:00","" "4319810","16.2111","0.0009","11.008","0.0006","18.1339","0.001","90","","111.722","0.001","90","","3006.2","0.3","193","2","193","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C31 H27 P S4 W -","- C31 H27 P S4 W -","- C124 H108 P4 S16 W4 -","4","1","","Naomi L. Kruhlak; Meiping Wang; P. Michael Boorman; Masood Parvez; Robert McDonald","Syntheses, Structures, and Stabilities of [PPh4][WS3(SR)] (R = iBu, iPr, tBu, Benzyl, Allyl) and [PPh4][MoS3(StBu)]","Inorganic Chemistry","2001","40","","3141","3148","10.1021/ic000970n","","","0.71073","MoKα","","0.0879","0.0409","","","0.0576","0.0659","","","","","","0.819","","","","has coordinates","201982","2020-10-21","18:00:00","" "4319811","9.4716","0.0009","10.4336","0.001","14.4186","0.0014","100.183","0.002","90.457","0.002","91.747","0.002","1401.7","0.2","193","2","193","2","","","","","","","","5","P -1","-P 1","2","","","","- C27 H25 P S4 W -","- C27 H25 P S4 W -","- C54 H50 P2 S8 W2 -","2","1","","Naomi L. Kruhlak; Meiping Wang; P. Michael Boorman; Masood Parvez; Robert McDonald","Syntheses, Structures, and Stabilities of [PPh4][WS3(SR)] (R = iBu, iPr, tBu, Benzyl, Allyl) and [PPh4][MoS3(StBu)]","Inorganic Chemistry","2001","40","","3141","3148","10.1021/ic000970n","","","0.71073","MoKα","","0.0538","0.0413","","","0.093","0.0968","","","","","","0.976","","","","has coordinates","201982","2020-10-21","18:00:00","" "4319812","21.908","0.008","8.984","0.003","18.31","0.006","90","","112.902","0.004","90","","3320","2","163","2","163","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C30 H26 F6 N4 O8 Pt2 S2 -","- C30 H26 F6 N4 O8 Pt2 S2 -","- C120 H104 F24 N16 O32 Pt8 S8 -","4","0.5","","Ulrich Fekl; Rudi van Eldik; Chris Richardson; Ward T. Robinson","Bowl-Shaped and Highly Inert Bis(μ-hydroxo)platinum(II) Dimer","Inorganic Chemistry","2001","40","","3247","3251","10.1021/ic0009977","","","0.71073","MoKα","","0.0215","0.0189","","","0.0475","0.0481","","","","","","1.082","","","","has coordinates","179278","2020-10-21","18:00:00","" "4319813","9.252","0.003","10.071","0.004","25.987","0.01","90","","90.012","0.005","90","","2421.4","1.6","163","2","163","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C16 H20 Cl2 N6 O8 Pt S2 -","- C16 H20 Cl2 N6 O8 Pt S2 -","- C64 H80 Cl8 N24 O32 Pt4 S8 -","4","1","","Ulrich Fekl; Rudi van Eldik; Chris Richardson; Ward T. Robinson","Bowl-Shaped and Highly Inert Bis(μ-hydroxo)platinum(II) Dimer","Inorganic Chemistry","2001","40","","3247","3251","10.1021/ic0009977","","","0.71073","MoKα","","0.04","0.0311","","","0.0808","0.0829","","","","","","1.094","","","","has coordinates","179278","2020-10-21","18:00:00","" "4319814","12.159","0.004","15.21","0.005","17.271","0.006","90","","90.622","0.007","90","","3193.9","1.9","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C27 H44 Cu N6 Ni O7 -","- C27 H40 Cu N6 Ni O7 -","- C108 H160 Cu4 N24 Ni4 O28 -","4","1","","En-Qing Gao; Jin-Kui Tang; Dai-Zheng Liao; Zong-Hui Jiang; Shi-Ping Yan; Geng-Lin Wang","Oxamato-Bridged Trinuclear NiIICuIINiII Complexes with Irregular Spin State Structures and a Binuclear NiIICuII Complex with an Unusual Supramolecular Structure: Crystal Structure and Magnetic Properties","Inorganic Chemistry","2001","40","","3134","3140","10.1021/ic001023h","","","0.71073","MoKα","","0.0832","0.0508","","","0.1287","0.1502","","","","","","1.03","","","","has coordinates","179278","2020-10-21","18:00:00","" "4319815","11.7769","0.0018","13.955","0.002","18.041","0.003","101.071","0.003","103.473","0.003","114.277","0.003","2486","0.7","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C37 H51 Cl2 Cu N10 Ni2 O16.5 -","- C37 H46 Cl2 Cu N10 Ni2 O16.5 -","- C74 H92 Cl4 Cu2 N20 Ni4 O33 -","2","1","","En-Qing Gao; Jin-Kui Tang; Dai-Zheng Liao; Zong-Hui Jiang; Shi-Ping Yan; Geng-Lin Wang","Oxamato-Bridged Trinuclear NiIICuIINiII Complexes with Irregular Spin State Structures and a Binuclear NiIICuII Complex with an Unusual Supramolecular Structure: Crystal Structure and Magnetic Properties","Inorganic Chemistry","2001","40","","3134","3140","10.1021/ic001023h","","","0.71073","MoKα","","0.1414","0.0629","","","0.1489","0.1907","","","","","","0.936","","","","has coordinates","176467","2020-10-21","18:00:00","" "4319816","35.376","0.004","10.7433","0.0011","14.3949","0.0014","90","","90","","90","","5470.9","1","298","2","298","2","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C39 H78 Cl2 Cu N10 Ni2 O14 -","- C39 H78 Cl2 Cu N10 Ni2 O14 -","- C156 H312 Cl8 Cu4 N40 Ni8 O56 -","4","1","","En-Qing Gao; Jin-Kui Tang; Dai-Zheng Liao; Zong-Hui Jiang; Shi-Ping Yan; Geng-Lin Wang","Oxamato-Bridged Trinuclear NiIICuIINiII Complexes with Irregular Spin State Structures and a Binuclear NiIICuII Complex with an Unusual Supramolecular Structure: Crystal Structure and Magnetic Properties","Inorganic Chemistry","2001","40","","3134","3140","10.1021/ic001023h","","","0.71073","MoKα","","0.1458","0.0623","","","0.1294","0.1591","","","","","","0.946","","","","has coordinates","179278","2020-10-21","18:00:00","" "4319817","20.572","0.004","17.279","0.006","22.023","0.019","90","","103.13","0.04","90","","7624","7","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C22 H44 Cl2 Cu3 N6 O18 -","- C22 H36 Cl2 Cu3 N6 O18 -","- C176 H288 Cl16 Cu24 N48 O144 -","8","1","","Javier Tercero; Carmen Diaz; Mohamed Salah El Fallah; Joan Ribas; Xavier Solans; Miguel Angel Maestro; José Mahía","Synthesis, Characterization, and Magnetic Properties of Self-assembled Compounds Based on Discrete Homotrinuclear Complexes of Cu(II)","Inorganic Chemistry","2001","40","","3077","3083","10.1021/ic001028e","","","0.71069","MoKα","","0.115","0.0441","","0.1667","0.1187","","","","1.02","1.154","1.154","","","","","has coordinates","179278","2020-10-21","18:00:00","" "4319818","16.7555","0.0007","13.5173","0.0005","17.124","0.0007","90","","104.984","0.001","90","","3746.5","0.3","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C21 H48 Cl2 Cu3 N6 O17 -","- C21 H48 Cl2 Cu3 N6 O17 -","- C84 H192 Cl8 Cu12 N24 O68 -","4","1","","Javier Tercero; Carmen Diaz; Mohamed Salah El Fallah; Joan Ribas; Xavier Solans; Miguel Angel Maestro; José Mahía","Synthesis, Characterization, and Magnetic Properties of Self-assembled Compounds Based on Discrete Homotrinuclear Complexes of Cu(II)","Inorganic Chemistry","2001","40","","3077","3083","10.1021/ic001028e","","","0.71073","MoKα","","0.1013","0.059","","","0.1691","0.1951","","","","","","1.013","","","","has coordinates","179278","2020-10-21","18:00:00","" "4319819","21.2859","0.0004","12.8286","0.0001","12.6456","0.0002","90","","90","","90","","3453.11","0.09","298","2","298","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C19 H42 Cl2 Cu3 N6 O17 -","- C19 H42 Cl2 Cu3 N6 O17 -","- C76 H168 Cl8 Cu12 N24 O68 -","4","1","","Javier Tercero; Carmen Diaz; Mohamed Salah El Fallah; Joan Ribas; Xavier Solans; Miguel Angel Maestro; José Mahía","Synthesis, Characterization, and Magnetic Properties of Self-assembled Compounds Based on Discrete Homotrinuclear Complexes of Cu(II)","Inorganic Chemistry","2001","40","","3077","3083","10.1021/ic001028e","","","0.71073","MoKα","","0.0607","0.0439","","","0.0931","0.1017","","","","","","1.08","","","","has coordinates,has disorder","179278","2020-10-21","18:00:00","" "4319820","13.995","0.005","9.192","0.004","20.378","0.003","90","","97.47","0.02","90","","2599.2","1.5","296.2","","","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C23 H24 Cl2 Cu N6 O8 -","- C20 Cl2 Cu N6 O8 -","- C80 Cl8 Cu4 N24 O32 -","4","1","","Hideki Ohtsu; Shinobu Itoh; Shigenori Nagatomo; Teizo Kitagawa; Seiji Ogo; Yoshihito Watanabe; Shunichi Fukuzumi","Characterization of Imidazolate-Bridged Dinuclear and Mononuclear Hydroperoxo Complexes","Inorganic Chemistry","2001","40","","3200","3207","10.1021/ic001036v","","","0.7107","MoKα","","","0.059","","","","0.086","","","","","","1.074","","","","has coordinates","176467","2020-10-21","18:00:00","" "4319821","14.231","0.005","10.413","0.005","19.402","0.004","90","","109.92","0.02","90","","2703.1","1.7","296.2","","","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C22 H21 Cl2 Cu N6 O8 -","- C21 Cl2 Cu N6 O8 -","- C84 Cl8 Cu4 N24 O32 -","4","1","","Hideki Ohtsu; Shinobu Itoh; Shigenori Nagatomo; Teizo Kitagawa; Seiji Ogo; Yoshihito Watanabe; Shunichi Fukuzumi","Characterization of Imidazolate-Bridged Dinuclear and Mononuclear Hydroperoxo Complexes","Inorganic Chemistry","2001","40","","3200","3207","10.1021/ic001036v","","","0.7107","MoKα","","","0.0554","","","","0.072","","","","","","1.076","","","","has coordinates","176467","2020-10-21","18:00:00","" "4319822","10.812","0.002","10.868","0.002","15.158","0.003","73.09","0.03","69.75","0.03","87.51","0.03","1595.5","0.7","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C27 H28 Mo3 O5 Ru S5 -","- C27 H28 Mo3 O5 Ru S5 -","- C54 H56 Mo6 O10 Ru2 S10 -","2","1","","Konrad Herbst; Magda Monari; Michael Brorson","Heterobimetallic, Cubane-like Mo3S4M' Cluster Cores Containing the Noble Metals M' = Ru, Os, Rh, Ir. Unprecedented Tri(μ-carbonyl) Bridge Between Ruthenium Atoms in [{(η5-Cp')3Mo3S4Ru}2(μ-CO)3]2+","Inorganic Chemistry","2001","40","","2979","2985","10.1021/ic001129c","","","0.71073","MoKα","","0.1548","0.0527","","","0.0936","0.114","","","","","","0.798","","","","has coordinates","179278","2020-10-21","18:00:00","" "4319823","23.909","0.001","17.497","0.001","15.854","0.001","90","","91.067","0.002","90","","6631.1","0.6","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C53 H56 Mo6 O9 Ru2 S10 -","- C53 H56 Mo6 O9 Ru2 S10 -","- C212 H224 Mo24 O36 Ru8 S40 -","4","0.5","","Konrad Herbst; Magda Monari; Michael Brorson","Heterobimetallic, Cubane-like Mo3S4M' Cluster Cores Containing the Noble Metals M' = Ru, Os, Rh, Ir. Unprecedented Tri(μ-carbonyl) Bridge Between Ruthenium Atoms in [{(η5-Cp')3Mo3S4Ru}2(μ-CO)3]2+","Inorganic Chemistry","2001","40","","2979","2985","10.1021/ic001129c","","","0.71069","MoKα","","0.2087","0.073","","","0.1723","0.2364","","","","","","0.984","","","","has coordinates,has disorder","179278","2020-10-21","18:00:00","" "4319824","10.0581","0.0011","13.925","0.0015","17.7511","0.0018","86.354","0.004","88.273","0.004","69.43","0.004","2322.9","0.4","293","2","293","2","","","","","","","","8","P -1","-P 1","2","","","","- C43 H43 Cl Mo3 O3 P Rh S5 -","- C45.82 H43 Cl Mo3 O3 P2 Rh S4 -","- C91.64 H86 Cl2 Mo6 O6 P4 Rh2 S8 -","2","1","","Konrad Herbst; Magda Monari; Michael Brorson","Heterobimetallic, Cubane-like Mo3S4M' Cluster Cores Containing the Noble Metals M' = Ru, Os, Rh, Ir. Unprecedented Tri(μ-carbonyl) Bridge Between Ruthenium Atoms in [{(η5-Cp')3Mo3S4Ru}2(μ-CO)3]2+","Inorganic Chemistry","2001","40","","2979","2985","10.1021/ic001129c","","","0.71073","MoKα","","0.1962","0.0464","","","0.0716","0.0895","","","","","","0.756","","","","has coordinates,has disorder","179278","2020-10-21","18:00:00","" "4319825","15.1665","0.0009","18.7297","0.0011","21.7848","0.0012","67.709","0.005","81.345","0.005","79.304","0.005","5604.5","0.6","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C122 H160 Cl2 I2 N10 Rh2 -","- C122 H160 Cl2 I2 N10 Rh2 -","- C244 H320 Cl4 I4 N20 Rh4 -","2","1","","James E. Redman; Neil Feeder; Simon J. Teat; Jeremy K. M. Sanders","Coordination Chemistry of Rh(III) Porphyrins: Complexes with Hydrazine, Disulfide, and Diselenide Bridging Ligands","Inorganic Chemistry","2001","40","","3217","3221","10.1021/ic0011314","","","0.6923","Synchrotron","","0.1087","0.0702","","","0.1891","0.2013","","","","","","0.997","","","","has coordinates,has disorder","179278","2020-10-21","18:00:00","" "4319826","15.231","0.002","18.438","0.003","22.377","0.003","65.943","0.005","83.689","0.005","81.358","0.005","5664.9","1.4","200","2","200","2","","","","","","","","6","P -1","-P 1","2","","","","- C123 H162 Cl2 I2 N10 Rh2 -","- C123 H162 Cl2 I2 N10 Rh2 -","- C246 H324 Cl4 I4 N20 Rh4 -","2","1","","James E. Redman; Neil Feeder; Simon J. Teat; Jeremy K. M. Sanders","Coordination Chemistry of Rh(III) Porphyrins: Complexes with Hydrazine, Disulfide, and Diselenide Bridging Ligands","Inorganic Chemistry","2001","40","","3217","3221","10.1021/ic0011314","","","0.6923","Synchrotron","","0.1816","0.1544","","","0.3393","0.3509","","","","","","1.143","","","","has coordinates,has disorder","179278","2020-10-21","18:00:00","" "4319827","15.117","0.0004","18.798","0.0008","21.987","0.0009","68.404","0.0014","81.457","0.002","79.604","0.002","5691","0.4","180","2","180","2","","","","","","","","6","P -1","-P 1","2","","","","- C123 H162 Cl2 I2 N10 Rh2 -","- C123 H162 Cl2 I2 N10 Rh2 -","- C246 H324 Cl4 I4 N20 Rh4 -","2","1","","James E. Redman; Neil Feeder; Simon J. Teat; Jeremy K. M. Sanders","Coordination Chemistry of Rh(III) Porphyrins: Complexes with Hydrazine, Disulfide, and Diselenide Bridging Ligands","Inorganic Chemistry","2001","40","","3217","3221","10.1021/ic0011314","","","0.7107","MoKα","","0.1222","0.0863","","","0.1988","0.2219","","","","","","1.032","","","","has coordinates,has disorder","179278","2020-10-21","18:00:00","" "4319828","16.3158","0.0013","26.431","0.002","12.7523","0.001","90","","100.83","0.002","90","","5401.4","0.7","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C60 H79 I N5 Rh -","- C60 H79 I N5 Rh -","- C240 H316 I4 N20 Rh4 -","4","1","","James E. Redman; Neil Feeder; Simon J. Teat; Jeremy K. M. Sanders","Coordination Chemistry of Rh(III) Porphyrins: Complexes with Hydrazine, Disulfide, and Diselenide Bridging Ligands","Inorganic Chemistry","2001","40","","3217","3221","10.1021/ic0011314","","","0.6884","Synchrotron","","0.0937","0.0632","","","0.1177","0.1251","","","","","","1.073","","","","has coordinates,has disorder","179278","2020-10-21","18:00:00","" "4319829","16.2361","0.0013","18.6695","0.0015","20.6876","0.0016","72.554","0.002","87.348","0.002","67.114","0.002","5493.8","0.8","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C120 H156 I2 N10 Rh2 -","- C120 H156 I2 N10 Rh2 -","- C240 H312 I4 N20 Rh4 -","2","1","","James E. Redman; Neil Feeder; Simon J. Teat; Jeremy K. M. Sanders","Coordination Chemistry of Rh(III) Porphyrins: Complexes with Hydrazine, Disulfide, and Diselenide Bridging Ligands","Inorganic Chemistry","2001","40","","3217","3221","10.1021/ic0011314","","","0.6884","Synchrotron","","0.1358","0.0895","","","0.217","0.2322","","","","","","1.065","","","","has coordinates,has disorder","179278","2020-10-21","18:00:00","" "4319830","9.8833","0.0005","9.6719","0.0005","12.1136","0.0007","90","","107.29","0.001","90","","1105.62","0.1","193","2","193","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C14 H27 N4 O15 Pr -","- C14 H27 N4 O15 Pr -","- C28 H54 N8 O30 Pr2 -","2","1","","Pascale Delangle; Christian Husson; Colette Lebrun; Jacques Pécaut; Philippe J. A. Vottéro","Solid State and Solution Studies of Lanthanide(III) Complexes of Cyclohexanetriols, Models of the Coordination Sites Found in Sugars","Inorganic Chemistry","2001","40","","2953","2962","10.1021/ic001160e","","","0.71073","MoKα","","0.025","0.0231","","","0.0578","0.0586","","","","","","1.018","","","","has coordinates","179278","2020-10-21","18:00:00","" "4319831","9.8771","0.0002","9.6617","0.0003","12.0966","0.0003","90","","107.313","0.001","90","","1102.07","0.05","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C14 H27 N4 Nd O15 -","- C14 H24 N4 Nd O15 -","- C28 H48 N8 Nd2 O30 -","2","1","","Pascale Delangle; Christian Husson; Colette Lebrun; Jacques Pécaut; Philippe J. A. Vottéro","Solid State and Solution Studies of Lanthanide(III) Complexes of Cyclohexanetriols, Models of the Coordination Sites Found in Sugars","Inorganic Chemistry","2001","40","","2953","2962","10.1021/ic001160e","","","0.71073","MoKα","","0.0247","0.0235","","","0.0584","0.0643","","","","","","1.083","","","","has coordinates","179278","2020-10-21","18:00:00","" "4319832","16.787","0.005","8.155","0.002","15.632","0.006","90","","107.69","0.04","90","","2038.8","1.2","293","2","293","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C12 H26 Ho N3 O16 -","- C12 H26 Ho N3 O16 -","- C48 H104 Ho4 N12 O64 -","4","1","","Pascale Delangle; Christian Husson; Colette Lebrun; Jacques Pécaut; Philippe J. A. Vottéro","Solid State and Solution Studies of Lanthanide(III) Complexes of Cyclohexanetriols, Models of the Coordination Sites Found in Sugars","Inorganic Chemistry","2001","40","","2953","2962","10.1021/ic001160e","","","0.71073","MoKα","","0.046","0.045","","","0.1064","0.1073","","","","","","1.055","","","","has coordinates","179278","2020-10-21","18:00:00","" "4319833","16.857","0.005","8.15","0.002","15.732","0.006","90","","107.92","0.04","90","","2056.5","1.2","293","2","293","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C12 H26 N3 O16 Yb -","- C12 H26 N3 O16 Yb -","- C48 H104 N12 O64 Yb4 -","4","1","","Pascale Delangle; Christian Husson; Colette Lebrun; Jacques Pécaut; Philippe J. A. Vottéro","Solid State and Solution Studies of Lanthanide(III) Complexes of Cyclohexanetriols, Models of the Coordination Sites Found in Sugars","Inorganic Chemistry","2001","40","","2953","2962","10.1021/ic001160e","","","0.71073","MoKα","","0.033","0.0324","","","0.0816","0.0819","","","","","","1.043","","","","has coordinates","179278","2020-10-21","18:00:00","" "4319834","10.7358","0.0001","19.0206","0.0002","15.0504","0.0001","90","","105.299","0.001","90","","2964.4","0.05","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C15 H26 F9 Nd O16 S3 -","- C15 H26 F9 Nd O16 S3 -","- C60 H104 F36 Nd4 O64 S12 -","4","1","","Pascale Delangle; Christian Husson; Colette Lebrun; Jacques Pécaut; Philippe J. A. Vottéro","Solid State and Solution Studies of Lanthanide(III) Complexes of Cyclohexanetriols, Models of the Coordination Sites Found in Sugars","Inorganic Chemistry","2001","40","","2953","2962","10.1021/ic001160e","","","0.71073","MoKα","","0.045","0.0395","","","0.1049","0.1079","","","","","","1.145","","","","has coordinates","179278","2020-10-21","18:00:00","" "4319835","14.4589","0.0002","12.1379","0.0001","13.3084","0.0001","90","","116.135","0.001","90","","2096.84","0.04","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H24 N3 O15 Pr -","- C12 H24 N3 O15 Pr -","- C48 H96 N12 O60 Pr4 -","4","1","","Pascale Delangle; Christian Husson; Colette Lebrun; Jacques Pécaut; Philippe J. A. Vottéro","Solid State and Solution Studies of Lanthanide(III) Complexes of Cyclohexanetriols, Models of the Coordination Sites Found in Sugars","Inorganic Chemistry","2001","40","","2953","2962","10.1021/ic001160e","","","0.71073","MoKα","","0.0249","0.0223","","","0.0565","0.0574","","","","","","1.077","","","","has coordinates","179278","2020-10-21","18:00:00","" "4319836","14.4172","0.0004","12.0804","0.0003","13.2703","0.0003","90","","116.128","0.001","90","","2075.05","0.09","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H24 N3 Nd O15 -","- C12 H24 N3 Nd O15 -","- C48 H96 N12 Nd4 O60 -","4","1","","Pascale Delangle; Christian Husson; Colette Lebrun; Jacques Pécaut; Philippe J. A. Vottéro","Solid State and Solution Studies of Lanthanide(III) Complexes of Cyclohexanetriols, Models of the Coordination Sites Found in Sugars","Inorganic Chemistry","2001","40","","2953","2962","10.1021/ic001160e","","","0.71073","MoKα","","0.0352","0.0323","","","0.0819","0.0835","","","","","","1.113","","","","has coordinates","179278","2020-10-21","18:00:00","" "4319837","9.343","0.0004","19.9349","0.0005","10.3519","0.0004","90","","109.988","0.001","90","","1811.92","0.11","193","2","193","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C18 H38 La2 N6 O28 -","- C18 H36 La2 N6 O28 -","- C36 H72 La4 N12 O56 -","2","1","","Pascale Delangle; Christian Husson; Colette Lebrun; Jacques Pécaut; Philippe J. A. Vottéro","Solid State and Solution Studies of Lanthanide(III) Complexes of Cyclohexanetriols, Models of the Coordination Sites Found in Sugars","Inorganic Chemistry","2001","40","","2953","2962","10.1021/ic001160e","","","0.71073","MoKα","","0.0407","0.04","","","0.0981","0.0985","","","","","","1.066","","","","has coordinates","179278","2020-10-21","18:00:00","" "4319838","12.2964","0.0016","10.3191","0.0015","17.533","0.004","90","","98.085","0.01","90","","2202.6","0.7","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C13 H25.5 La N3.5 O15 -","- C13 H25.5 La N3.5 O15 -","- C52 H102 La4 N14 O60 -","4","1","","Pascale Delangle; Christian Husson; Colette Lebrun; Jacques Pécaut; Philippe J. A. Vottéro","Solid State and Solution Studies of Lanthanide(III) Complexes of Cyclohexanetriols, Models of the Coordination Sites Found in Sugars","Inorganic Chemistry","2001","40","","2953","2962","10.1021/ic001160e","","","0.71073","MoKα","","0.031","0.0258","","","0.0681","0.0703","","","","","","1.029","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00","" "4319839","4.1744","0.0006","4.1744","0.0006","6.5047","0.0013","90","","90","","90","","113.35","0.03","293","2","293","2","","","","","","","","2","I 4/m m m","-I 4 2","139","","","","- F2 Kr -","- F2 Kr -","- F4 Kr2 -","2","0.0625","","John F. Lehmann; David A. Dixon; Gary J. Schrobilgen","X-ray Crystal Structures of α-KrF2, [KrF][MF6] (M = As, Sb, Bi), [Kr2F3][SbF6].KrF2, [Kr2F3]2[SbF6]2.KrF2, and [Kr2F3][AsF6].[KrF][AsF6]; Synthesis and Characterization of [Kr2F3][PF6].nKrF2; and Theoretical Studies of KrF2, KrF+, Kr2F3+, and the [KrF][MF6] (M = P, As, Sb, Bi) Ion Pairs","Inorganic Chemistry","2001","40","","3002","3017","10.1021/ic001167w","","","0.71073","MoKα","","0.0251","0.0251","","","0.0548","0.0548","","","","","","1.293","","","","has coordinates","179278","2020-10-21","18:00:00","" "4319840","5.1753","0.0002","10.2019","0.0007","10.5763","0.0008","90","","95.298","0.002","90","","556.02","0.06","153","2","153","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- As F7 Kr -","- As F7 Kr -","- As4 F28 Kr4 -","4","1","","John F. Lehmann; David A. Dixon; Gary J. Schrobilgen","X-ray Crystal Structures of α-KrF2, [KrF][MF6] (M = As, Sb, Bi), [Kr2F3][SbF6].KrF2, [Kr2F3]2[SbF6]2.KrF2, and [Kr2F3][AsF6].[KrF][AsF6]; Synthesis and Characterization of [Kr2F3][PF6].nKrF2; and Theoretical Studies of KrF2, KrF+, Kr2F3+, and the [KrF][MF6] (M = P, As, Sb, Bi) Ion Pairs","Inorganic Chemistry","2001","40","","3002","3017","10.1021/ic001167w","","","0.71073","MoKα","","0.0344","0.0265","","","0.063","0.0652","","","","","","1.013","","","","has coordinates","179278","2020-10-21","18:00:00","" "4319841","5.2922","0.0006","10.4444","0.0013","10.7959","0.0013","90","","94.693","0.004","90","","594.73","0.12","160","2","160","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- F7 Kr Sb -","- F7 Kr Sb -","- F28 Kr4 Sb4 -","4","1","","John F. Lehmann; David A. Dixon; Gary J. Schrobilgen","X-ray Crystal Structures of α-KrF2, [KrF][MF6] (M = As, Sb, Bi), [Kr2F3][SbF6].KrF2, [Kr2F3]2[SbF6]2.KrF2, and [Kr2F3][AsF6].[KrF][AsF6]; Synthesis and Characterization of [Kr2F3][PF6].nKrF2; and Theoretical Studies of KrF2, KrF+, Kr2F3+, and the [KrF][MF6] (M = P, As, Sb, Bi) Ion Pairs","Inorganic Chemistry","2001","40","","3002","3017","10.1021/ic001167w","","","0.71073","MoKα","","0.0455","0.0266","","","0.0496","0.0527","","","","","","0.92","","","","has coordinates","179278","2020-10-21","18:00:00","" "4319842","5.336","0.0011","10.513","0.002","11.046","0.002","90","","94.79","0.03","90","","617.5","0.2","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- Bi F7 Kr -","- Bi F7 Kr -","- Bi4 F28 Kr4 -","4","1","","John F. Lehmann; David A. Dixon; Gary J. Schrobilgen","X-ray Crystal Structures of α-KrF2, [KrF][MF6] (M = As, Sb, Bi), [Kr2F3][SbF6].KrF2, [Kr2F3]2[SbF6]2.KrF2, and [Kr2F3][AsF6].[KrF][AsF6]; Synthesis and Characterization of [Kr2F3][PF6].nKrF2; and Theoretical Studies of KrF2, KrF+, Kr2F3+, and the [KrF][MF6] (M = P, As, Sb, Bi) Ion Pairs","Inorganic Chemistry","2001","40","","3002","3017","10.1021/ic001167w","","","0.71073","MoKα","","0.0434","0.0344","","","0.0884","0.0912","","","","","","1.069","","","","has coordinates","179278","2020-10-21","18:00:00","" "4319843","8.0416","0.0016","30.814","0.006","8.1365","0.0016","90","","111.945","0.003","90","","1870.1","0.6","148","2","148","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- F20 Kr5 Sb2 -","- F20 Kr5 Sb2 -","- F80 Kr20 Sb8 -","4","1","","John F. Lehmann; David A. Dixon; Gary J. Schrobilgen","X-ray Crystal Structures of α-KrF2, [KrF][MF6] (M = As, Sb, Bi), [Kr2F3][SbF6].KrF2, [Kr2F3]2[SbF6]2.KrF2, and [Kr2F3][AsF6].[KrF][AsF6]; Synthesis and Characterization of [Kr2F3][PF6].nKrF2; and Theoretical Studies of KrF2, KrF+, Kr2F3+, and the [KrF][MF6] (M = P, As, Sb, Bi) Ion Pairs","Inorganic Chemistry","2001","40","","3002","3017","10.1021/ic001167w","","","0.71073","MoKα","","0.071","0.0376","","","0.0672","0.074","","","","","","0.932","","","","has coordinates","179278","2020-10-21","18:00:00","" "4319844","8.032","0.003","8.559","0.004","8.948","0.004","69.659","0.009","63.754","0.01","82.595","0.011","517.1","0.4","160","2","160","2","","","","","","","","3","P -1","-P 1","2","","","","- F11 Kr3 Sb -","- F11 Kr3 Sb -","- F22 Kr6 Sb2 -","2","1","","John F. Lehmann; David A. Dixon; Gary J. Schrobilgen","X-ray Crystal Structures of α-KrF2, [KrF][MF6] (M = As, Sb, Bi), [Kr2F3][SbF6].KrF2, [Kr2F3]2[SbF6]2.KrF2, and [Kr2F3][AsF6].[KrF][AsF6]; Synthesis and Characterization of [Kr2F3][PF6].nKrF2; and Theoretical Studies of KrF2, KrF+, Kr2F3+, and the [KrF][MF6] (M = P, As, Sb, Bi) Ion Pairs","Inorganic Chemistry","2001","40","","3002","3017","10.1021/ic001167w","","","0.71073","MoKα","","0.0483","0.0402","","","0.1011","0.1039","","","","","","1.038","","","","has coordinates","179278","2020-10-21","18:00:00","" "4319845","6.2474","0.001","24.705","0.004","8.8616","0.0006","90","","90.304","0.006","90","","1367.7","0.3","153","2","153","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- As2 F16 Kr3 -","- As2 F16 Kr3 -","- As8 F64 Kr12 -","4","1","","John F. Lehmann; David A. Dixon; Gary J. Schrobilgen","X-ray Crystal Structures of α-KrF2, [KrF][MF6] (M = As, Sb, Bi), [Kr2F3][SbF6].KrF2, [Kr2F3]2[SbF6]2.KrF2, and [Kr2F3][AsF6].[KrF][AsF6]; Synthesis and Characterization of [Kr2F3][PF6].nKrF2; and Theoretical Studies of KrF2, KrF+, Kr2F3+, and the [KrF][MF6] (M = P, As, Sb, Bi) Ion Pairs","Inorganic Chemistry","2001","40","","3002","3017","10.1021/ic001167w","","","0.71073","MoKα","","0.0914","0.0471","","","0.0812","0.0936","","","","","","1.008","","","","has coordinates","179278","2020-10-21","18:00:00","" "4319846","10.3726","0.0005","21.903","0.001","17.6723","0.0008","90","","97.121","0.001","90","","3984","0.3","173","2","173","2","","","","","","","Dr. Du-Hwan Jo, Prof. L. Que","8","P 1 21/c 1","-P 2ybc","14","","","","- C37.5 H54 Cl F3 Fe N4 O5 S -","- C37 H53 F3 Fe N4 O5 S -","- C148 H212 F12 Fe4 N16 O20 S4 -","4","1","","Du-Hwan Jo; Yu-Min Chiou; Lawrence Que","Models for Extradiol Cleaving Catechol Dioxygenases: Syntheses, Structures, and Reactivities of Iron(II)-Monoanionic Catecholate Complexes","Inorganic Chemistry","2001","40","","3181","3190","10.1021/ic001185d","","","0.71073","MoKα","","0.0529","0.0373","","0.0965","0.0909","","","","1.071","1.151","1.151","","","","","has coordinates","176467","2020-10-21","18:00:00","" "4319847","9.696","0.004","14.704","0.007","15.315","0.013","89.65","0.07","85.33","0.07","81.43","0.04","2152","2","570","2","570","2","","","","","","","Prof. L. Que","6","P -1","-P 1","2","40206","","","- C51 H48 B Fe N4 O2 -","- C51 H48 B Fe N4 O2 -","- C102 H96 B2 Fe2 N8 O4 -","2","1","","Du-Hwan Jo; Yu-Min Chiou; Lawrence Que","Models for Extradiol Cleaving Catechol Dioxygenases: Syntheses, Structures, and Reactivities of Iron(II)-Monoanionic Catecholate Complexes","Inorganic Chemistry","2001","40","","3181","3190","10.1021/ic001185d","","","0.71073","MoKα","","0.0812","0.0482","","0.1094","0.0956","","","","1.043","1.112","1.112","","","","","has coordinates","179278","2020-10-21","18:00:00","" "4319848","8.517","0.001","50.379","0.006","9.874","0.001","90","0.003","105.938","0.003","90","0.003","4073.9","0.8","173","2","173","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","00016","","","- C37 H52 F3 Fe N4 O5 S -","- C37 H52 F3 Fe N4 O5 S -","- C148 H208 F12 Fe4 N16 O20 S4 -","4","1","","Du-Hwan Jo; Yu-Min Chiou; Lawrence Que","Models for Extradiol Cleaving Catechol Dioxygenases: Syntheses, Structures, and Reactivities of Iron(II)-Monoanionic Catecholate Complexes","Inorganic Chemistry","2001","40","","3181","3190","10.1021/ic001185d","","","0.71073","MoKα","","0.1115","0.0563","","","0.1213","0.138","","","","","","0.894","","","","has coordinates","179278","2020-10-21","18:00:00","" "4319849","11.934","0.004","16.54","0.15","12.408","0.004","90","","101.01","0.03","90","","2404","2","177","2","177","2","","","","","","","Prof. L. Que","6","P 1 21/n 1","-P 2yn","14","40205","","","- C21 H24 Cl Fe N6 O6 -","- C21 H24 Cl Fe N6 O6 -","- C84 H96 Cl4 Fe4 N24 O24 -","4","1","","Du-Hwan Jo; Yu-Min Chiou; Lawrence Que","Models for Extradiol Cleaving Catechol Dioxygenases: Syntheses, Structures, and Reactivities of Iron(II)-Monoanionic Catecholate Complexes","Inorganic Chemistry","2001","40","","3181","3190","10.1021/ic001185d","","","0.71073","MoKα","","0.0976","0.0539","","0.1512","0.129","","","","1.02","1.092","1.092","","","","","has coordinates","179278","2020-10-21","18:00:00","" "4319850","11.7163","0.0008","12.5811","0.0006","14.4254","0.0009","86.335","0.005","66.244","0.005","79.738","0.005","1915","0.2","173","","173","","","","","","","","","5","P -1","-P 1","2","","","","- C48 H38 Cu N4 O2 -","- C48 H38 Cu N4 O2 -","- C96 H76 Cu2 N8 O4 -","2","1","","Christophe Jeandon; Bénédicte Krattinger; Romain Ruppert; Henry J. Callot","Biladienones from the Photooxidation of ameso-gem-Disubstituted Phlorin: Crystal and Molecular Structures of the 3N + O Coordinated Nickel(II) and Copper(II) Complexes","Inorganic Chemistry","2001","40","","3149","3153","10.1021/ic001205b","","","0.71073","Mo-Kα","","0.147","0.05","","0.342","","0.066","","","6.698","","","1.114","","","","has coordinates","179278","2020-10-21","18:00:00","" "4319851","12.384","0.001","13.484","0.001","14.285","0.001","66.612","0.008","71.521","0.008","79.266","0.008","2071.5","0.3","173","","173","","","","","","","","","6","P -1","-P 1","2","","","","- C49 H40 Cl2 N4 Ni O2 -","- C49 H40 Cl2 N4 Ni O2 -","- C98 H80 Cl4 N8 Ni2 O4 -","2","1","","Christophe Jeandon; Bénédicte Krattinger; Romain Ruppert; Henry J. Callot","Biladienones from the Photooxidation of ameso-gem-Disubstituted Phlorin: Crystal and Molecular Structures of the 3N + O Coordinated Nickel(II) and Copper(II) Complexes","Inorganic Chemistry","2001","40","","3149","3153","10.1021/ic001205b","","","0.71073","Mo-Kα","","0.105","0.07","","0.114","","0.081","","","1.747","","","1.245","","","","has coordinates","179278","2020-10-21","18:00:00","" "4319852","41.726","0.003","9.1582","0.0003","20.275","0.001","90","","101.546","0.005","90","","7591","0.7","294","","294","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C48 H38 N4 Ni O2 -","- C48 H37 N4 Ni O2 -","- C384 H296 N32 Ni8 O16 -","8","1","","Christophe Jeandon; Bénédicte Krattinger; Romain Ruppert; Henry J. Callot","Biladienones from the Photooxidation of ameso-gem-Disubstituted Phlorin: Crystal and Molecular Structures of the 3N + O Coordinated Nickel(II) and Copper(II) Complexes","Inorganic Chemistry","2001","40","","3149","3153","10.1021/ic001205b","","","0.71073","Mo-Kα","","0.276","0.065","","0.422","","0.086","","","12.264","","","1.538","","","","has coordinates","179278","2020-10-21","18:00:00","" "4319853","12.847","0.003","15.677","0.003","22.024","0.004","90","","90","","90","","4435.7","1.6","120","2","120","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C16 H32 As Co F6 N4 O3 -","- C16 H32 As Co F6 N4 O3 -","- C128 H256 As8 Co8 F48 N32 O24 -","8","1","","Louise Broge; Inger Søtofte; Carl Erik Olsen; Johan Springborg","Cobalt(III) Complexes of [35]Adamanzane, 1,5,9,13-Tetraazabicyclo[7.7.3]nonadecane. Report of an Inert, Chelate Hydrogen Carbonate Ion","Inorganic Chemistry","2001","40","","3124","3129","10.1021/ic001208o","","","0.71073","MoKα","","0.2514","0.0814","","0.1827","0.1203","","","","1.056","1.163","1.163","","","","","has coordinates","179278","2020-10-21","18:00:00","" "4319854","8.919","0.002","15.782","0.003","9.021","0.002","90","","103.06","0.03","90","","1236.9","0.5","120","2","120","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C16 H35 Br4 Co N4 O4 Zn -","- C16 H33 Br4 Co N4 O4 Zn -","- C32 H66 Br8 Co2 N8 O8 Zn2 -","2","1","","Louise Broge; Inger Søtofte; Carl Erik Olsen; Johan Springborg","Cobalt(III) Complexes of [35]Adamanzane, 1,5,9,13-Tetraazabicyclo[7.7.3]nonadecane. Report of an Inert, Chelate Hydrogen Carbonate Ion","Inorganic Chemistry","2001","40","","3124","3129","10.1021/ic001208o","","","0.71073","MoKα","","0.0898","0.0667","","0.164","0.1526","","","","1.003","1.07","1.07","","","","","has coordinates","179278","2020-10-21","18:00:00","" "4319855","12.356","0.003","11.251","0.002","15.951","0.003","90","","90","","90","","2217.5","0.8","120","2","120","2","","","","","","","","8","P n m a","-P 2ac 2n","62","","","","- C15 H34 As Co F6 N4 O5 S -","- C15 H34 As Co F6 N4 O5 S -","- C60 H136 As4 Co4 F24 N16 O20 S4 -","4","0.5","","Louise Broge; Inger Søtofte; Carl Erik Olsen; Johan Springborg","Cobalt(III) Complexes of [35]Adamanzane, 1,5,9,13-Tetraazabicyclo[7.7.3]nonadecane. Report of an Inert, Chelate Hydrogen Carbonate Ion","Inorganic Chemistry","2001","40","","3124","3129","10.1021/ic001208o","","","0.71073","MoKα","","0.0538","0.0426","","0.1134","0.1064","","","","1.097","1.121","1.121","","","","","has coordinates","179278","2020-10-21","18:00:00","" "4319856","18.3","0.003","18.3","0.003","13.242","0.003","90","","90","","90","","4434.6","1.4","173","2","173","2","","","","","","","","7","P 4/n :2","-P 4a","85","","","","- C64 H144 Cl Cs Fe8 N8 O32 -","- C64 H96 Cl Cs Fe8 N8 O32.012 -","- C128 H192 Cl2 Cs2 Fe16 N16 O64.024 -","2","0.25","","O. Waldmann; R. Koch; S. Schromm; J. Schülein; P. Müller; I. Bernt; R. W. Saalfrank; F. Hampel; E. Balthes","Magnetic Anisotropy of a Cyclic Octanuclear Fe(III) Cluster and Magneto-Structural Correlations in Molecular Ferric Wheels","Inorganic Chemistry","2001","40","","2986","2995","10.1021/ic0012827","","","0.71073","MoKα","","0.0689","0.0449","","","0.1278","0.1431","","","","","","0.979","","","","has coordinates","179278","2020-10-21","18:00:00","" "4319857","15.9744","0.001","16.1255","0.001","17.1825","0.0011","90","","96.191","0.001","90","","4400.3","0.5","173","2","173","2","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C47 H50 Ag F3 N2 O3 S -","- C47 H50 Ag F3 N2 O3 S -","- C188 H200 Ag4 F12 N8 O12 S4 -","4","1","","Eric Bosch; Charles L. Barnes","Design and Synthesis of a Sterically Hindered Pyridine and Its Encapsulation of Silver(I) Cation","Inorganic Chemistry","2001","40","","3234","3236","10.1021/ic001305h","","","0.71073","MoKα","","0.0394","0.0344","","","0.0823","0.0848","","","","","","1.034","","","","has coordinates","179278","2020-10-21","18:00:00","" "4319858","10.034","0.002","10.299","0.002","18.192","0.004","91.42","0.02","93.98","0.02","105.98","0.02","1801.1","0.7","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H24 F12 Hg P4 -","- C30 H24 F12 Hg P4 -","- C60 H48 F24 Hg2 P8 -","2","1","","Berthold Hoge; Christoph Thösen; Ingo Pantenburg","Synthesis and Properties of Mercury Bis(trifluoromethyl)phosphanides and Their Phosphane Complexes","Inorganic Chemistry","2001","40","","3084","3088","10.1021/ic001335k","","","0.71073","MoKα","","0.1107","0.0869","","0.2367","0.2206","","","","1.006","1.103","1.103","","","","","has coordinates","179278","2020-10-21","18:00:00","" "4319859","11.709","0.002","13.487","0.003","15.151","0.003","65.701","0.014","70.61","0.014","75.5","0.02","2038.9","0.8","293","2","293","2","","","","","","","","6","P -1","-P 1","2","Tetraacetylacetonate (3,6-bis(2-pyridyl)-1,2,4,5-tetrazine) diruthenium(II) bis-dichloromethane solvate","","","- C34 H40 Cl4.07 N6 O8 Ru2 -","- C34 H36 Cl4.08 N6 O8 Ru2 -","- C68 H72 Cl8.16 N12 O16 Ru4 -","2","1","","Sudha Chellamma; Marya Lieberman","Synthesis and Properties of [Ru2(acac)4(bptz)]n+ (n = 0, 1) and Crystal Structure of [Ru2(acac)4(bptz)]","Inorganic Chemistry","2001","40","","3177","3180","10.1021/ic001374w","","","0.71073","MoKα","","0.1169","0.061","","0.1633","0.1334","","","","1.042","1.11","1.11","","","","","has coordinates,has disorder","179278","2020-10-21","18:00:00","" "4319860","11.848","0.001","11.276","0.001","19.688","0.003","90","","94.01","0.01","90","","2623.8","0.5","298","","298","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C20 H31 Cl2 N7 O8 Zn -","- C20 H19 Cl2 N7 O8 Zn -","- C80 H76 Cl8 N28 O32 Zn4 -","4","1","","Carlos Lodeiro; A. Jorge Parola; Fernando Pina; Carla Bazzicalupi; Andrea Bencini; Antonio Bianchi; Claudia Giorgi; Andrea Masotti; Barbara Valtancoli","Protonation and Zn(II) Coordination by Dipyridine-Containing Macrocycles with Different Molecular Architecture. A Case of pH-Controlled Metal Jumping Outside-Inside the Macrocyclic Cavity","Inorganic Chemistry","2001","40","","2968","2975","10.1021/ic001381k","","","1.5418","CuKα","","0.0635","0.0574","","","0.1707","0.1772","","","","","","1.053","","","","has coordinates","179278","2020-10-21","18:00:00","" "4319861","8.758","0.009","9.662","0.003","19.19","0.007","91.17","0.03","97.12","0.05","94.23","0.05","1606.2","1.8","298","","298","","","","","","","","","5","P -1","-P 1","2","","","","- C20 H37 Cl4 N7 O17 -","- C20 H35 Cl4 N7 O17 -","- C40 H70 Cl8 N14 O34 -","2","1","","Carlos Lodeiro; A. Jorge Parola; Fernando Pina; Carla Bazzicalupi; Andrea Bencini; Antonio Bianchi; Claudia Giorgi; Andrea Masotti; Barbara Valtancoli","Protonation and Zn(II) Coordination by Dipyridine-Containing Macrocycles with Different Molecular Architecture. A Case of pH-Controlled Metal Jumping Outside-Inside the Macrocyclic Cavity","Inorganic Chemistry","2001","40","","2968","2975","10.1021/ic001381k","","","0.71069","MoKα","","0.1056","0.0672","","","0.1795","0.1957","","","","","","1.05","","","","has coordinates","201982","2020-10-21","18:00:00","" "4319862","12.2591","0.0014","13.7902","0.0013","34.848","0.004","90","","94.636","0.014","90","","5872","1.1","140","2","140","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C57 H95.5 Fe P3 Ru -","- C57 H95.5 Fe P3 Ru -","- C228 H382 Fe4 P12 Ru4 -","4","1","","Andrew J. Toner; Bruno Donnadieu; Sylviane Sabo-Etienne; Bruno Chaudret; Xavier Sava; François Mathey; Pascal Le Floch","Preparation and Characterization of Ruthenium(II) Monophosphaferrocene Complexes. Reactivity, Dynamic Solution Behavior, and X-ray Structure of [RuH2(η2-H2)(PCy3)2(2-phenyl-3,4-dimethylphosphaferrocene)]","Inorganic Chemistry","2001","40","","3034","3038","10.1021/ic001404v","","","0.71073","MoK\?","","0.062","0.0439","","","0.1136","0.1273","","","","","","1.025","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00","" "4319863","20.091","0.005","13.527","0.003","9.976","0.002","90","","90","","90","","2711.2","1.1","213","","213","","","","","","","","see paper","5","P b c a","-P 2ac 2ab","61","gama-1 phase","Di-mu-chlorotetrakis(1-methylboratabenzene)diyttrium","","- C24 H32 B4 Cl2 Y2 -","- C24 H32 B4 Cl2 Y2 -","- C96 H128 B16 Cl8 Y8 -","4","0.5","","Xiaolai Zheng; Bing Wang; Ulli Englert; Gerhard E. Herberich","Three Conformational Polymorphs of Di-μ-chlorotetrakis(1-methylboratabenzene)diyttrium: Synthesis, X-ray Structures, Quantum Chemical Calculations, and Lattice Energy Minimizations1","Inorganic Chemistry","2001","40","","3117","3123","10.1021/ic0014641","","","0.71073","Mo-Kα","","0.1662","0.0494","","","0.0557","0.0668","","","","","","0.706","","","","has coordinates","288183","2023-12-08","14:42:59","" "4319864","6.6124","0.0008","14.352","0.009","14.12","0.001","90","","95.57","0.01","90","","1333.7","0.9","293","","293","","","","","","","","see paper","5","P 1 21/n 1","-P 2yn","14","alpha-1 phase","Di-mu-chlorotetrakis(1-methylboratabenzene)diyttrium","","- C24 H32 B4 Cl2 Y2 -","- C24 H32 B4 Cl2 Y2 -","- C48 H64 B8 Cl4 Y4 -","2","0.5","","Xiaolai Zheng; Bing Wang; Ulli Englert; Gerhard E. Herberich","Three Conformational Polymorphs of Di-μ-chlorotetrakis(1-methylboratabenzene)diyttrium: Synthesis, X-ray Structures, Quantum Chemical Calculations, and Lattice Energy Minimizations1","Inorganic Chemistry","2001","40","","3117","3123","10.1021/ic0014641","","","0.71073","Mo-Kα","","0.1141","0.0407","","","0.0571","0.0654","","","","","","0.835","","","","has coordinates","288183","2023-12-08","14:42:59","" "4319865","8.542","0.002","13.712","0.006","11.76","0.01","90","","102.6","0.04","90","","1344.3","1.3","293","","293","","","","","","","","see paper","5","P 1 21/a 1","-P 2yab","14","beta-1 phase","Di-mu-chlorotetrakis(1-methylboratabenzene)diyttrium","","- C24 H32 B4 Cl2 Y2 -","- C24 H32 B4 Cl2 Y2 -","- C48 H64 B8 Cl4 Y4 -","2","0.5","","Xiaolai Zheng; Bing Wang; Ulli Englert; Gerhard E. Herberich","Three Conformational Polymorphs of Di-μ-chlorotetrakis(1-methylboratabenzene)diyttrium: Synthesis, X-ray Structures, Quantum Chemical Calculations, and Lattice Energy Minimizations1","Inorganic Chemistry","2001","40","","3117","3123","10.1021/ic0014641","","","0.56087","Ag-Kα","","0.1159","0.0386","","","0.0426","0.049","","","","","","0.712","","","","has coordinates","288183","2023-12-08","14:42:59","" "4319866","8.3926","0.0017","13.788","0.003","20.091","0.004","90","","90.438","0.004","90","","2324.8","0.8","173","2","173","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C22 H14 Ag Cl2 F3 N2 O3 S -","- C22 H14 Ag Cl2 F3 N2 O3 S -","- C88 H56 Ag4 Cl8 F12 N8 O12 S4 -","4","1","","Eric Bosch; Charles L. Barnes","1,2-Bis(2-pyridylethynyl)benzene, a Novel Trans-Chelating Bipyridyl Ligand. Structural Characterization of the Complexes with Silver(I) Triflate and Palladium(II) Chloride","Inorganic Chemistry","2001","40","","3097","3100","10.1021/ic010058u","","","0.71073","MoKα","","0.0586","0.0366","","","0.0817","0.089","","","","","","0.955","","","","has coordinates","179278","2020-10-21","18:00:00","" "4319867","7.4297","0.0009","8.41","0.001","15.1003","0.0018","80.269","0.002","87.255","0.002","70.697","0.002","877.64","0.18","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H12 Cl2 N2 Pd -","- C20 H12 Cl2 N2 Pd -","- C40 H24 Cl4 N4 Pd2 -","2","1","","Eric Bosch; Charles L. Barnes","1,2-Bis(2-pyridylethynyl)benzene, a Novel Trans-Chelating Bipyridyl Ligand. Structural Characterization of the Complexes with Silver(I) Triflate and Palladium(II) Chloride","Inorganic Chemistry","2001","40","","3097","3100","10.1021/ic010058u","","","0.71073","MoKα","","0.0285","0.0259","","","0.0687","0.0702","","","","","","1.039","","","","has coordinates","179278","2020-10-21","18:00:00","" "4319868","9.8992","0.0018","11.828","0.002","13.672","0.002","110.194","0.016","97.087","0.014","106.108","0.012","1400.2","0.5","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C30 H16 Au Cl F10 N P -","- C30 H16 Au Cl F10 N P -","- C60 H32 Au2 Cl2 F20 N2 P2 -","2","1","","Eduardo J. Fernández; Manuel Gil; M. Elena Olmos; Olga Crespo; Antonio Laguna; Peter G. Jones","Ability of a Au(III)-N Unit to Bond Two Aurophilically Interacting Gold(I) Centers","Inorganic Chemistry","2001","40","","3018","3024","10.1021/ic0100875","","","0.71073","MoKα","","0.0266","0.0225","","","0.0527","0.0536","","","","","","1.036","","","","has coordinates","179278","2020-10-21","18:00:00","" "4319869","9.241","0.002","13.752","0.002","15.6517","0.001","100.404","0.01","102.338","0.01","101.282","0.01","1853.5","0.5","173","2","173","2","","","","","","","","8","P -1","-P 1","2","","","","- C31.5 H19 Au Cl4 F10 N O4 P -","- C31.5 H18 Au Cl4 F10 N O4 P -","- C63 H36 Au2 Cl8 F20 N2 O8 P2 -","2","1","","Eduardo J. Fernández; Manuel Gil; M. Elena Olmos; Olga Crespo; Antonio Laguna; Peter G. Jones","Ability of a Au(III)-N Unit to Bond Two Aurophilically Interacting Gold(I) Centers","Inorganic Chemistry","2001","40","","3018","3024","10.1021/ic0100875","","","0.71073","MoKα","","0.0722","0.0498","","","0.1151","0.1244","","","","","","0.996","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00","" "4319870","10.0862","0.0008","14.8036","0.0012","19.3597","0.0016","99.163","0.003","98.068","0.003","104.58","0.003","2712.2","0.4","143","2","143","2","","","","","","","","6","P -1","-P 1","2","","","","- C30 H15 Au F10 N P -","- C30 H15 Au F10 N P -","- C120 H60 Au4 F40 N4 P4 -","4","2","","Eduardo J. Fernández; Manuel Gil; M. Elena Olmos; Olga Crespo; Antonio Laguna; Peter G. Jones","Ability of a Au(III)-N Unit to Bond Two Aurophilically Interacting Gold(I) Centers","Inorganic Chemistry","2001","40","","3018","3024","10.1021/ic0100875","","","0.71073","MoKα","","0.0809","0.0349","","","0.055","0.0617","","","","","","0.802","","","","has coordinates","179278","2020-10-21","18:00:00","" "4319871","13.4946","0.0012","14.2351","0.0012","18.5302","0.0016","77.029","0.003","84.443","0.003","83.508","0.003","3437.1","0.5","143","2","143","2","","","","","","","","8","P -1","-P 1","2","","","","- C68 H48 Au3 Cl5 F10 N O4 P3 -","- C68 H48 Au3 Cl5 F10 N O4 P3 -","- C136 H96 Au6 Cl10 F20 N2 O8 P6 -","2","1","","Eduardo J. Fernández; Manuel Gil; M. Elena Olmos; Olga Crespo; Antonio Laguna; Peter G. Jones","Ability of a Au(III)-N Unit to Bond Two Aurophilically Interacting Gold(I) Centers","Inorganic Chemistry","2001","40","","3018","3024","10.1021/ic0100875","","","0.71073","MoKα","","0.0384","0.0277","","","0.0624","0.0651","","","","","","1.034","","","","has coordinates,has disorder","179278","2020-10-21","18:00:00","" "4319872","14.3302","","16.1694","","19.3652","","90","","101","","90","","4404.68","","153.2","","153.2","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C48.5 H64.5 N4.5 O2 Zn -","- C48.5 H64.5 N4.5 O2 Zn -","- C194 H258 N18 O8 Zn4 -","4","1","","Gregory A. Morris; Hongying Zhou; Charlotte L. Stern; SonBinh T. Nguyen","A General High-Yield Route to Bis(salicylaldimine) Zinc(II) Complexes: Application to the Synthesis of Pyridine-Modified Salen-Type Zinc(II) Complexes","Inorganic Chemistry","2001","40","","3222","3227","10.1021/ic010090o","","","0.7107","MoKα","","0.1143","0.06","","0.13","","0.06","","","2.826","","","3.3","","","","has coordinates","176467","2020-10-21","18:00:00","" "4319873","10.588","0.002","13.021","0.003","16.951","0.003","85.157","0.003","74.477","0.003","79.69","0.003","2213.7","0.8","153.2","","153.2","","","","","","","","","5","P -1","-P 1","2","","","","- C48 H56 N6 O2 Zn -","- C48 H56 N6 O2 Zn -","- C96 H112 N12 O4 Zn2 -","2","1","","Gregory A. Morris; Hongying Zhou; Charlotte L. Stern; SonBinh T. Nguyen","A General High-Yield Route to Bis(salicylaldimine) Zinc(II) Complexes: Application to the Synthesis of Pyridine-Modified Salen-Type Zinc(II) Complexes","Inorganic Chemistry","2001","40","","3222","3227","10.1021/ic010090o","","","0.7107","MoKα","","0.1201","0.064","","0.135","","0.066","","","1.248","","","1.65","","","","has coordinates","176467","2020-10-21","18:00:00","" "4319874","10.0184","0.0015","7.1551","0.001","15.79","0.002","90","","108.326","0.002","90","","1074.5","0.3","228","2","228","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C9 H12 I O Re -","- C9 H12 I O Re -","- C36 H48 I4 O4 Re4 -","4","1","","Yi Han; C. Jeff Harlan; Philipp Stoessel; Brian J. Frost; Jack R. Norton; Susie Miller; Brian Bridgewater; Qiang Xu","Rhenium Oxo Complexes of a Chelating Diyne Ligand. Synthesis and Study of the Kinetics of Protonation","Inorganic Chemistry","2001","40","","2942","2952","10.1021/ic0100931","","","0.71073","MoKα","","0.0304","0.0293","","","0.0772","0.078","","","","","","1.109","","","","has coordinates","179278","2020-10-21","18:00:00","" "4319875","16.5689","0.0001","16.5689","0.0001","7.452","0.0001","90","","90","","90","","2045.79","0.03","163","2","163","2","","","","","","","","4","P -4 21 c","P -4 2n","114","","","","- C10 H15 O Re -","- C10 H15 O Re -","- C80 H120 O8 Re8 -","8","1","","Yi Han; C. Jeff Harlan; Philipp Stoessel; Brian J. Frost; Jack R. Norton; Susie Miller; Brian Bridgewater; Qiang Xu","Rhenium Oxo Complexes of a Chelating Diyne Ligand. Synthesis and Study of the Kinetics of Protonation","Inorganic Chemistry","2001","40","","2942","2952","10.1021/ic0100931","","","0.71073","MoKα","","0.0511","0.0349","","0.0681","0.0615","","","","1.087","1.045","1.045","","","","","has coordinates","179278","2020-10-21","18:00:00","" "4319876","23.889","0.002","23.889","0.002","9.7525","0.0011","90","","90","","90","","5565.6","0.9","228","2","228","2","","","","","","","","7","I 4/m","-I 4","87","","","","- C15 H21 B2 F8 I N3 Re -","- C15 H21 B2 F8 I N3 Re -","- C120 H168 B16 F64 I8 N24 Re8 -","8","0.5","","Yi Han; C. Jeff Harlan; Philipp Stoessel; Brian J. Frost; Jack R. Norton; Susie Miller; Brian Bridgewater; Qiang Xu","Rhenium Oxo Complexes of a Chelating Diyne Ligand. Synthesis and Study of the Kinetics of Protonation","Inorganic Chemistry","2001","40","","2942","2952","10.1021/ic0100931","","","0.71073","MoKα","","0.081","0.0588","","","0.1696","0.1932","","","","","","1.073","","","","has coordinates","179278","2020-10-21","18:00:00","" "4319877","10.6281","0.0006","10.6867","0.0006","29.8237","0.0015","90","","95.789","0.001","90","","3370.1","0.3","228","2","228","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C33 H18 B F15 I O Re -","- C33 H18 B F15 I O Re -","- C132 H72 B4 F60 I4 O4 Re4 -","4","1","","Yi Han; C. Jeff Harlan; Philipp Stoessel; Brian J. Frost; Jack R. Norton; Susie Miller; Brian Bridgewater; Qiang Xu","Rhenium Oxo Complexes of a Chelating Diyne Ligand. Synthesis and Study of the Kinetics of Protonation","Inorganic Chemistry","2001","40","","2942","2952","10.1021/ic0100931","","","0.71073","MoKα","","0.0798","0.0379","","","0.0614","0.0684","","","","","","1.008","","","","has coordinates","179278","2020-10-21","18:00:00","" "4319878","8.9812","0.0016","18.417","0.003","9.716","0.0017","90","","94.068","0.003","90","","1603","0.5","228","2","228","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C12 H21 I O P Re -","- C12 H21 I O P Re -","- C48 H84 I4 O4 P4 Re4 -","4","1","","Yi Han; C. Jeff Harlan; Philipp Stoessel; Brian J. Frost; Jack R. Norton; Susie Miller; Brian Bridgewater; Qiang Xu","Rhenium Oxo Complexes of a Chelating Diyne Ligand. Synthesis and Study of the Kinetics of Protonation","Inorganic Chemistry","2001","40","","2942","2952","10.1021/ic0100931","","","0.71073","MoKα","","0.0301","0.0219","","","0.0415","0.0428","","","","","","1.083","","","","has coordinates","179278","2020-10-21","18:00:00","" "4319879","12.576","0.001","12.76","0.001","29.964","0.001","86.3","0.003","81.231","0.003","62.911","0.002","4230.7","0.5","150","","150","","","","","","","","?","6","P -1","-P 1","2","","","","- C72 H93 B3 Br9 Cr N18 -","- C72 H93 B3 Br9 Cr N18 -","- C144 H186 B6 Br18 Cr2 N36 -","2","1","","Tim J. Brunker; Tony Hascall; Andrew R. Cowley; Leigh H. Rees; Dermot O'Hare","Variable Coordination Modes of Hydrotris(3-isopropyl-4-bromopyrazolyl)borate (Tp') in Fe(II), Mn(II), Cr(II), and Cr(III) Complexes: Formation of MTp'Cl (M = Fe and Mn), Structural Isomerism in CrTp'2, and the Observation of Tp'- as an Uncoordinated Anion","Inorganic Chemistry","2001","40","","3170","3176","10.1021/ic010125k","","","0.71069","MoKα","","","0.054","","","","0.0426","","","","","","1.11","","","","has coordinates","176467","2020-10-21","18:00:00","" "4319880","10.87","0.001","14.462","0.001","15.798","0.001","90","","90","","90","","2483.5","0.3","150","2","150","2","","","","","","","","7","C c m 21","C 2c -2c","36","","","","- C18 H25 B Br3 Cl Fe N6 -","- C18 H25 B Br3 Cl Fe N6 -","- C72 H100 B4 Br12 Cl4 Fe4 N24 -","4","0.5","","Tim J. Brunker; Tony Hascall; Andrew R. Cowley; Leigh H. Rees; Dermot O'Hare","Variable Coordination Modes of Hydrotris(3-isopropyl-4-bromopyrazolyl)borate (Tp') in Fe(II), Mn(II), Cr(II), and Cr(III) Complexes: Formation of MTp'Cl (M = Fe and Mn), Structural Isomerism in CrTp'2, and the Observation of Tp'- as an Uncoordinated Anion","Inorganic Chemistry","2001","40","","3170","3176","10.1021/ic010125k","","","0.71073","MoKα","","0.0339","0.0291","","","0.0661","0.0669","","","","","","1.018","","","","has coordinates","179278","2020-10-21","18:00:00","" "4319881","10.781","0.0004","14.314","0.0005","15.768","0.0004","90","","90","","90","","2433.31","0.14","293","2","293","2","","","","","","","synthesis as described","7","C c m 21","C 2c -2c","36","","","","- C18 H25 B Br3 Cl Mn N6 -","- C18 H25 B Br3 Cl Mn N6 -","- C72 H100 B4 Br12 Cl4 Mn4 N24 -","4","0.5","","Tim J. Brunker; Tony Hascall; Andrew R. Cowley; Leigh H. Rees; Dermot O'Hare","Variable Coordination Modes of Hydrotris(3-isopropyl-4-bromopyrazolyl)borate (Tp') in Fe(II), Mn(II), Cr(II), and Cr(III) Complexes: Formation of MTp'Cl (M = Fe and Mn), Structural Isomerism in CrTp'2, and the Observation of Tp'- as an Uncoordinated Anion","Inorganic Chemistry","2001","40","","3170","3176","10.1021/ic010125k","","","0.71073","MoKα","","0.0209","0.0199","","0.049","0.0484","","","","1.044","1.052","1.052","","","","","has coordinates","179278","2020-10-21","18:00:00","" "4319882","10.126","0.0008","14.329","0.0007","20.877","0.0018","107.851","0.005","91.252","0.004","109.921","0.004","2683.7","0.4","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C41 H62 B2 Br6 Cr N12 -","- C41 H62 B2 Br6 Cr N12 -","- C82 H124 B4 Br12 Cr2 N24 -","2","1","","Tim J. Brunker; Tony Hascall; Andrew R. Cowley; Leigh H. Rees; Dermot O'Hare","Variable Coordination Modes of Hydrotris(3-isopropyl-4-bromopyrazolyl)borate (Tp') in Fe(II), Mn(II), Cr(II), and Cr(III) Complexes: Formation of MTp'Cl (M = Fe and Mn), Structural Isomerism in CrTp'2, and the Observation of Tp'- as an Uncoordinated Anion","Inorganic Chemistry","2001","40","","3170","3176","10.1021/ic010125k","","","0.71073","MoKα","","0.1181","0.0599","","","0.132","0.1526","","","","","","1","","","","has coordinates","179278","2020-10-21","18:00:00","" "4319883","12.982","0.0008","13.065","0.0009","15.927","0.0007","98.032","0.004","105.392","0.003","101.759","0.003","2495.5","0.3","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C38.5 H56 B2 Br6 Cr N12 -","- C38.5 H56 B2 Br6 Cr N12 -","- C77 H112 B4 Br12 Cr2 N24 -","2","1","","Tim J. Brunker; Tony Hascall; Andrew R. Cowley; Leigh H. Rees; Dermot O'Hare","Variable Coordination Modes of Hydrotris(3-isopropyl-4-bromopyrazolyl)borate (Tp') in Fe(II), Mn(II), Cr(II), and Cr(III) Complexes: Formation of MTp'Cl (M = Fe and Mn), Structural Isomerism in CrTp'2, and the Observation of Tp'- as an Uncoordinated Anion","Inorganic Chemistry","2001","40","","3170","3176","10.1021/ic010125k","","","0.71073","MoKα","","0.0729","0.0417","","","0.1007","0.1108","","","","","","1.006","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00","" "4319884","14.9903","0.0011","14.9903","0.0011","12.8345","0.0017","90","","90","","120","","2497.6","0.4","295","2","295","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C18 H38 Co7 N6 O20 -","- C18 H38 Co7 N6 O20 -","- C54 H114 Co21 N18 O60 -","3","0.166667","","Ray-Kuang Chiang; Chi-Chun Huang; Ching-Shuei Wur","Hydrothermal Synthesis and Structural Characterization of a Coordination Polymer Containing Heptanuclear Co7(μ3-OH)8 Clusters","Inorganic Chemistry","2001","40","","3237","3239","10.1021/ic010164w","","","0.71073","MoKα","","0.0584","0.0499","","","0.0801","0.0824","","","","","","1.243","","","","has coordinates","179278","2020-10-21","18:00:00","" "4319885","16.299","0.004","18.902","0.004","16.313","0.004","90","","90.214","0.006","90","","5026","2","203","2","203","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C86 H149 N14 O14.5 S -","- C86 H149 N14 O14.5 S -","- C172 H298 N28 O29 S2 -","2","1","","Md. Alamgir Hossain; José M. Llinares; Douglas Powell; Kristin Bowman-James","Multiple Hydrogen Bond Stabilization of a Sandwich Complex of Sulfate between Two Macrocyclic Tetraamides","Inorganic Chemistry","2001","40","","2936","2937","10.1021/ic015508x","","","0.71073","MoKα","","0.2349","0.0648","","","0.1337","0.1697","","","","","","0.708","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00","" "4319886","19.4527","0.0002","19.4527","0.0002","6.172","0.0001","90","","90","","120","","2022.63","0.04","293","2","293","2","","","","","","","","4","R 3 m :H","R 3 -2""","160","","","","- Na6 P4 Pb3 S16 -","- Na6 P4 Pb3 S16 -","- Na18 P12 Pb9 S48 -","3","0.166667","","Jennifer A. Aitken; Mercouri G. Kanatzidis","α-Na6Pb3(PS4)4, a Noncentrosymmetric Thiophosphate with the Novel, Saucer-Shaped [Pb3(PS4)4]6- Cluster, and Its Metastable, 3-Dimensionally Polymerized Allotrope β-Na6Pb3(PS4)4","Inorganic Chemistry","2001","40","","2938","2939","10.1021/ic015511g","","","0.71073","MoKα","","0.0201","0.0196","","","0.0496","0.0497","","","","","","1.175","","","","has coordinates","288183","2023-12-08","14:42:59","" "4319887","13.73","0.002","13.73","0.002","13.73","0.002","90","","90","","90","","2588.3","0.7","293","2","293","2","","","","","","","","4","I -4 3 d","I -4bd 2c 3","220","","","","- Na1.5 P Pb0.75 S4 -","- Na1.5 P Pb0.75 S4 -","- Na24 P16 Pb12 S64 -","16","0.333333","","Jennifer A. Aitken; Mercouri G. Kanatzidis","α-Na6Pb3(PS4)4, a Noncentrosymmetric Thiophosphate with the Novel, Saucer-Shaped [Pb3(PS4)4]6- Cluster, and Its Metastable, 3-Dimensionally Polymerized Allotrope β-Na6Pb3(PS4)4","Inorganic Chemistry","2001","40","","2938","2939","10.1021/ic015511g","","","0.71073","MoKα","","0.0373","0.0302","","","0.0681","0.0697","","","","","","1.162","","","","has coordinates","288183","2023-12-08","14:42:59","" "4319888","6.6807","0.0003","10.2939","0.0003","10.3962","0.0004","89.342","0.002","74.61","0.002","83.373","0.002","684.57","0.05","91","2","91","2","","","","","","","","3","P -1","-P 1","2","","","","- C9 H18 B10 -","- C9 H18 B10 -","- C18 H36 B20 -","2","1","","Jesse Taylor; John Caruso; Amy Newlon; Ulrich Englich; Karin Ruhlandt-Senge; James T. Spencer","Polyhedral-Based Nonlinear Optical Materials. 3.1 Synthetic Studies of Cyclopentadiene- and Cycloheptatriene-Substituted Polyhedral Compounds: Synthesis of 1,12-[(C7H7)C2B10H10(C5H3Me2)] and Related Species","Inorganic Chemistry","2001","40","","3381","3388","10.1021/ic000777t","","","0.71073","MoKα","","0.0602","0.0487","","","0.1272","0.1367","","","","","","1.025","","","","has coordinates","179278","2020-10-21","18:00:00","" "4319889","7.7207","0.0007","15.873","0.0014","15.5493","0.0013","90","","99.146","0.002","90","","1881.4","0.3","95","2","95","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C16 H26 B10 -","- C16 H26 B10 -","- C64 H104 B40 -","4","1","","Jesse Taylor; John Caruso; Amy Newlon; Ulrich Englich; Karin Ruhlandt-Senge; James T. Spencer","Polyhedral-Based Nonlinear Optical Materials. 3.1 Synthetic Studies of Cyclopentadiene- and Cycloheptatriene-Substituted Polyhedral Compounds: Synthesis of 1,12-[(C7H7)C2B10H10(C5H3Me2)] and Related Species","Inorganic Chemistry","2001","40","","3381","3388","10.1021/ic000777t","","","0.71073","MoKα","","0.1143","0.0761","","","0.205","0.2317","","","","","","1.034","","","","has coordinates","179278","2020-10-21","18:00:00","" "4319890","12.5774","0.0003","13.0335","0.0002","13.4917","0.0003","72.485","0.001","84.767","0.001","73.453","0.001","2021.74","0.07","150","1","150","1","","","","","","","","7","P -1","-P 1","2","","","","- C47 H34 Mn N3 O3 P2 S2 -","- C47 H34 Mn N3 O3 P2 S2 -","- C94 H68 Mn2 N6 O6 P4 S4 -","2","1","","Wen-Feng Liaw; Chien-Kuo Hsieh; Ging-Yi Lin; Gene-Hsiang Lee","Syntheses, Reactivity, and π-Donating Ligand Metathesis Reaction of Five-Coordinate Sixteen-Electron Manganese(I) Complexes: Crystal Structures of [Mn(CO)3(-TeC6H4-o-NH-)]-, [(Mn(CO)3)2(μ-SC6H4-o-S-S-C6H4-o-μ-S-)], [(CO)3Mn(μ-SC6H4-o-NH2-)]2, and [(CO)3Mn(μ-SC8N2H4-o-S-)]22-","Inorganic Chemistry","2001","40","","3468","3475","10.1021/ic000795a","","","0.71073","MoKα","","0.0628","0.0413","","0.098","0.0908","","","","1.041","1.091","1.091","","","","","has coordinates","179278","2020-10-21","18:00:00","" "4319891","11.2562","0.0002","25.1443","0.0002","20.0981","0.0003","90","","104.49","0.001","90","","5507.41","0.14","295","2","295","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C22 H22 Mn2 N2 O7 S2 -","- C22 H22 Mn2 N2 O7 S2 -","- C176 H176 Mn16 N16 O56 S16 -","8","2","","Wen-Feng Liaw; Chien-Kuo Hsieh; Ging-Yi Lin; Gene-Hsiang Lee","Syntheses, Reactivity, and π-Donating Ligand Metathesis Reaction of Five-Coordinate Sixteen-Electron Manganese(I) Complexes: Crystal Structures of [Mn(CO)3(-TeC6H4-o-NH-)]-, [(Mn(CO)3)2(μ-SC6H4-o-S-S-C6H4-o-μ-S-)], [(CO)3Mn(μ-SC6H4-o-NH2-)]2, and [(CO)3Mn(μ-SC8N2H4-o-S-)]22-","Inorganic Chemistry","2001","40","","3468","3475","10.1021/ic000795a","","","0.71073","MoKα","","0.1366","0.0748","","0.1641","0.1379","","","","1.099","1.19","1.19","","","","","has coordinates","179278","2020-10-21","18:00:00","" "4319892","9.9473","0.0001","10.1823","0.0002","13.3691","0.0002","91.652","0.001","102.69","0.001","92.07","0.001","1319.23","0.04","150","1","150","1","","","","","","","","4","P -1","-P 1","2","","","","- C12 H12 N2 Te2 -","- C12 H12 N2 Te2 -","- C48 H48 N8 Te8 -","4","2","","Wen-Feng Liaw; Chien-Kuo Hsieh; Ging-Yi Lin; Gene-Hsiang Lee","Syntheses, Reactivity, and π-Donating Ligand Metathesis Reaction of Five-Coordinate Sixteen-Electron Manganese(I) Complexes: Crystal Structures of [Mn(CO)3(-TeC6H4-o-NH-)]-, [(Mn(CO)3)2(μ-SC6H4-o-S-S-C6H4-o-μ-S-)], [(CO)3Mn(μ-SC6H4-o-NH2-)]2, and [(CO)3Mn(μ-SC8N2H4-o-S-)]22-","Inorganic Chemistry","2001","40","","3468","3475","10.1021/ic000795a","","","0.71073","MoKα","","0.0347","0.0243","","0.058","0.0523","","","","1.05","1.027","1.027","","","","","has coordinates","179278","2020-10-21","18:00:00","" "4319893","9.872","0.002","14.268","0.003","14.428","0.003","89.68","0.03","89.08","0.03","81.23","0.03","2008.2","0.7","295","2","295","2","","","","","","","","7","P -1","-P 1","2","","","","- C45 H35 Mn N2 O3 P2 Te -","- C45 H35 Mn N2 O3 P2 Te -","- C90 H70 Mn2 N4 O6 P4 Te2 -","2","1","","Wen-Feng Liaw; Chien-Kuo Hsieh; Ging-Yi Lin; Gene-Hsiang Lee","Syntheses, Reactivity, and π-Donating Ligand Metathesis Reaction of Five-Coordinate Sixteen-Electron Manganese(I) Complexes: Crystal Structures of [Mn(CO)3(-TeC6H4-o-NH-)]-, [(Mn(CO)3)2(μ-SC6H4-o-S-S-C6H4-o-μ-S-)], [(CO)3Mn(μ-SC6H4-o-NH2-)]2, and [(CO)3Mn(μ-SC8N2H4-o-S-)]22-","Inorganic Chemistry","2001","40","","3468","3475","10.1021/ic000795a","","","0.71073","MoKα","","0.0525","0.0329","","0.0974","0.0904","","","","1.074","1.176","1.176","","","","","has coordinates","179278","2020-10-21","18:00:00","" "4319894","10.632","0.0001","12.4082","0.0003","16.6646","0.0002","90","","94.703","0.001","90","","2191.06","0.06","295","2","295","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H8 Mn2 O6 S4 -","- C18 H8 Mn2 O6 S4 -","- C72 H32 Mn8 O24 S16 -","4","1","","Wen-Feng Liaw; Chien-Kuo Hsieh; Ging-Yi Lin; Gene-Hsiang Lee","Syntheses, Reactivity, and π-Donating Ligand Metathesis Reaction of Five-Coordinate Sixteen-Electron Manganese(I) Complexes: Crystal Structures of [Mn(CO)3(-TeC6H4-o-NH-)]-, [(Mn(CO)3)2(μ-SC6H4-o-S-S-C6H4-o-μ-S-)], [(CO)3Mn(μ-SC6H4-o-NH2-)]2, and [(CO)3Mn(μ-SC8N2H4-o-S-)]22-","Inorganic Chemistry","2001","40","","3468","3475","10.1021/ic000795a","","","0.71073","MoKα","","0.0475","0.0319","","0.0728","0.0665","","","","1.023","1.052","1.052","","","","","has coordinates","179278","2020-10-21","18:00:00","" "4319895","10.4175","0.0008","12.9879","0.001","17.7625","0.0014","110.209","0.001","96.944","0.002","103.643","0.002","2137.1","0.3","193","2","193","2","","","","","","","","6","P -1","-P 1","2","[FeL2](ClO4)2","","","- C39.5 H40.5 Cl2 Fe2 N6 O14.5 -","- C39.5 H28 Cl2 Fe2 N6 O14.5 -","- C79 H56 Cl4 Fe4 N12 O29 -","2","1","","Ana Ion; Jean-Claude Moutet; Eric Saint-Aman; Guy Royal; Sophie Tingry; Jacques Pecaut; Stephane Menage; Raymond Ziessel","Iron(II) Complexes Containing a Ferrocenyl Framework Attached to 2,2'-bipyridine or 1,10-phenanthroline Subunits: Formation of Stable Fe-bis(2,2'-bipyridine)-like and Fe-bis(1,10-phenanthroline)-like Complexes","Inorganic Chemistry","2001","40","","3632","3636","10.1021/ic000859h","","","0.71073","MoKα","","0.0891","0.0478","","","0.1218","0.1351","","","","","","0.948","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00","" "4319896","20.1487","0.0014","15.9302","0.001","12.9045","0.0009","90","","116.549","0.001","90","","3705.2","0.4","193","2","193","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","[FeL3](ClO4)2","","","- C40 H30 Cl2 Fe2 N4 O12 -","- C40 H30 Cl2 Fe2 N4 O12 -","- C160 H120 Cl8 Fe8 N16 O48 -","4","0.5","","Ana Ion; Jean-Claude Moutet; Eric Saint-Aman; Guy Royal; Sophie Tingry; Jacques Pecaut; Stephane Menage; Raymond Ziessel","Iron(II) Complexes Containing a Ferrocenyl Framework Attached to 2,2'-bipyridine or 1,10-phenanthroline Subunits: Formation of Stable Fe-bis(2,2'-bipyridine)-like and Fe-bis(1,10-phenanthroline)-like Complexes","Inorganic Chemistry","2001","40","","3632","3636","10.1021/ic000859h","","","0.71073","MoKα","","0.0992","0.0614","","","0.1437","0.1566","","","","","","0.931","","","","has coordinates","179278","2020-10-21","18:00:00","" "4319897","9.153","0.0015","18.0851","0.0009","12.6484","0.0008","90","","105.409","0.009","90","","2018.5","0.4","293","","293","","","","","","","","","8","P 1 21/m 1","-P 2yb","11","","","","- C43 H39 B Cl2 F4 O P2 Pd -","- C43 H39 B Cl2 F4 O P2 Pd -","- C86 H78 B2 Cl4 F8 O2 P4 Pd2 -","2","0.5","","Richard J. van Haaren; Kees Goubitz; Jan Fraanje; Gino P. F. van Strijdonck; Henk Oevering; Betty Coussens; Joost N. H. Reek; Paul C. J. Kamer; Piet W. N. M. van Leeuwen","An X-ray Study of the Effect of the Bite Angle of Chelating Ligands on the Geometry of Palladium(allyl) Complexes: Implications for the Regioselectivity in the Allylic Alkylation","Inorganic Chemistry","2001","40","","3363","3372","10.1021/ic0009167","","","1.5418","CuKα","","0.093","0.091","","0.104","","0.103","","","1.002","","","1.025","","","","has coordinates","176432","2020-10-21","18:00:00","" "4319898","10.9718","0.0009","16.101","0.002","18.681","0.001","90","","91.601","0.004","90","","3298.8","0.5","293","","293","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C32 H33 F3 O3 P2 Pd S -","- C32 H33 F3 O3 P2 Pd S -","- C128 H132 F12 O12 P8 Pd4 S4 -","4","1","","Richard J. van Haaren; Kees Goubitz; Jan Fraanje; Gino P. F. van Strijdonck; Henk Oevering; Betty Coussens; Joost N. H. Reek; Paul C. J. Kamer; Piet W. N. M. van Leeuwen","An X-ray Study of the Effect of the Bite Angle of Chelating Ligands on the Geometry of Palladium(allyl) Complexes: Implications for the Regioselectivity in the Allylic Alkylation","Inorganic Chemistry","2001","40","","3363","3372","10.1021/ic0009167","","","1.5418","CuKα","","0.072","0.065","","0.07","","0.067","","","1.058","","","1.089","","","","has coordinates","176432","2020-10-21","18:00:00","" "4319899","15.827","0.003","13.067","0.002","18.267","0.003","90","","108.01","0.01","90","","3592.7","1.1","293","","293","","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C39 H37 B F4 Fe P2 Pd -","- C39 H37 B F4 Fe P2 Pd -","- C156 H148 B4 F16 Fe4 P8 Pd4 -","4","1","","Richard J. van Haaren; Kees Goubitz; Jan Fraanje; Gino P. F. van Strijdonck; Henk Oevering; Betty Coussens; Joost N. H. Reek; Paul C. J. Kamer; Piet W. N. M. van Leeuwen","An X-ray Study of the Effect of the Bite Angle of Chelating Ligands on the Geometry of Palladium(allyl) Complexes: Implications for the Regioselectivity in the Allylic Alkylation","Inorganic Chemistry","2001","40","","3363","3372","10.1021/ic0009167","","","1.5418","CuKα","","0.07","0.067","","0.082","","0.08","","","1.203","","","1.211","","","","has coordinates","176432","2020-10-21","18:00:00","" "4319900","11.822","0.001","12.519","0.002","14.435","0.002","83.84","0.01","78.01","0.01","67.568","0.008","1930.7","0.5","253","","293","","","","","","","","","7","P -1","-P 1","2","","","","- C41 H37 B F4 O P2 Pd -","- C41 H37 B F3.996 O P2 Pd -","- C82 H74 B2 F7.992 O2 P4 Pd2 -","2","1","","Richard J. van Haaren; Kees Goubitz; Jan Fraanje; Gino P. F. van Strijdonck; Henk Oevering; Betty Coussens; Joost N. H. Reek; Paul C. J. Kamer; Piet W. N. M. van Leeuwen","An X-ray Study of the Effect of the Bite Angle of Chelating Ligands on the Geometry of Palladium(allyl) Complexes: Implications for the Regioselectivity in the Allylic Alkylation","Inorganic Chemistry","2001","40","","3363","3372","10.1021/ic0009167","","","1.5418","CuKα","","0.07","0.059","","0.067","","0.061","","","0.853","","","0.854","","","","has coordinates","176432","2020-10-21","18:00:00","" "4319901","16.2614","0.0009","12.7546","0.0007","23.2873","0.0012","90","","90","","90","","4830","0.5","173","2","173","2","","","","","","","","6","P b c n","-P 2n 2ab","60","[Co(TPP)(1-BuNH2)2]SbF6","bis(1-butylamine)(5,10,15,20-mesotetraphenylporphinato)cobalt(III) hexafluoroantimonate(V)","","- C52 H50 Co F6 N6 Sb -","- C52 H50 Co F6 N6 Sb -","- C208 H200 Co4 F24 N24 Sb4 -","4","0.5","","Orde Q. Munro; Sibongiseni C. Shabalala; Nicola J. Brown","Structural, Computational, and 59Co NMR Studies of Primary and Secondary Amine Complexes of Co(III) Porphyrins","Inorganic Chemistry","2001","40","","3303","3317","10.1021/ic000976c","","","0.71073","MoKα","","0.0867","0.0592","","","0.0852","0.0925","","","","","","1.182","","","","has coordinates,has disorder","288183","2023-12-08","14:42:59","" "4319902","17.0323","0.0008","12.2935","0.0006","23.4079","0.0011","90","","90","","90","","4901.3","0.4","173","2","173","2","","","","","","","","6","P b c n","-P 2n 2ab","60","[Co(TPP)(BzNH2)2]SbF6","bis(benzylamine)(5,10,15,20-mesotetraphenylporphinato)cobalt(III) hexafluoroantimonate(V)","","- C58 H46 Co F6 N6 Sb -","- C58 H46 Co F6 N6 Sb -","- C232 H184 Co4 F24 N24 Sb4 -","4","0.5","","Orde Q. Munro; Sibongiseni C. Shabalala; Nicola J. Brown","Structural, Computational, and 59Co NMR Studies of Primary and Secondary Amine Complexes of Co(III) Porphyrins","Inorganic Chemistry","2001","40","","3303","3317","10.1021/ic000976c","","","0.71073","MoKα","","0.0433","0.0342","","","0.0759","0.0803","","","","","","1.098","","","","has coordinates","288183","2023-12-08","14:42:59","" "4319903","10.6378","0.0005","22.0466","0.0011","10.9585","0.0005","90","","94.214","0.001","90","","2563.1","0.2","173","2","173","2","","","","","","","","6","P 1 21 1","P 2yb","4","[Co(TPP)(PhCH2CH2NH2)2]SbF6","bis(phenethylamine)(5,10,15,20-mesotetraphenylporphinato)cobalt(III) hexafluoroantimonate(V)","","- C60 H50 Co F6 N6 Sb -","- C60 H50 Co F6 N6 Sb -","- C120 H100 Co2 F12 N12 Sb2 -","2","1","","Orde Q. Munro; Sibongiseni C. Shabalala; Nicola J. Brown","Structural, Computational, and 59Co NMR Studies of Primary and Secondary Amine Complexes of Co(III) Porphyrins","Inorganic Chemistry","2001","40","","3303","3317","10.1021/ic000976c","","","0.71073","MoKα","","0.0388","0.0334","","","0.0708","0.0745","","","","","","1.109","","","","has coordinates,has disorder","288183","2023-12-08","14:42:59","" "4319904","13.4112","0.0009","19.0611","0.0012","19.663","0.0013","90","","93.245","0.001","90","","5018.4","0.6","173","2","173","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","[Co(TPP)(1-MePipz)2]SbF6","bis(1-methylpiperazine)(5,10,15,20-mesotetraphenylporphinato)cobalt(III) hexafluoroantimonate(V)","","- C54 H52 Co F6 N8 O Sb -","- C54 H52 Co F6 N8 O Sb -","- C216 H208 Co4 F24 N32 O4 Sb4 -","4","1","","Orde Q. Munro; Sibongiseni C. Shabalala; Nicola J. Brown","Structural, Computational, and 59Co NMR Studies of Primary and Secondary Amine Complexes of Co(III) Porphyrins","Inorganic Chemistry","2001","40","","3303","3317","10.1021/ic000976c","","","0.71073","MoKα","","0.1547","0.0951","","","0.236","0.2759","","","","","","1.04","","","","has coordinates","288183","2023-12-08","14:42:59","" "4319905","19.511","0.003","18.803","0.002","14.1254","0.0003","90","","111.089","0.0005","90","","4835","0.9","173.2","","","","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- C74 H88 Cl16 Na4 O32 Ru2 -","- C74 Cl16 Na4 O32 Ru2 -","- C148 Cl32 Na8 O64 Ru4 -","2","0.25","","Hitoshi Miyasaka; Ho-Chol Chang; Katsunori Mochizuki; Susumu Kitagawa","Syntheses, Structures, and Physicochemical Properties of Diruthenium Compounds of Tetrachlorocatecholate with Metal-Metal Bonded Ru3+(μ-OR)2Ru3+ and Ru3.5+(μ-OR)2Ru3.5+ Cores (R = CH3 and C2H5)","Inorganic Chemistry","2001","40","","3544","3554","10.1021/ic0010252","","","0.7107","MoKα","","","0.0416","","","","0.0656","","","","","","0.954","","","","has coordinates","176467","2020-10-21","18:00:00","" "4319906","12.657","0.001","16.582","0.0005","20.887","0.002","76.303","0.002","87.1994","0.0008","80.4219","0.0007","4199.5","0.5","173.2","","","","","","","","","","","6","P -1","-P 1","2","","","","- C61 H74 Cl16 Na3 O27 Ru2 -","- C61 Cl16 Na3 O27 Ru2 -","- C122 Cl32 Na6 O54 Ru4 -","2","1","","Hitoshi Miyasaka; Ho-Chol Chang; Katsunori Mochizuki; Susumu Kitagawa","Syntheses, Structures, and Physicochemical Properties of Diruthenium Compounds of Tetrachlorocatecholate with Metal-Metal Bonded Ru3+(μ-OR)2Ru3+ and Ru3.5+(μ-OR)2Ru3.5+ Cores (R = CH3 and C2H5)","Inorganic Chemistry","2001","40","","3544","3554","10.1021/ic0010252","","","0.7107","MoKα","","","0.0598","","","","0.0705","","","","","","1.644","","","","has coordinates","176467","2020-10-21","18:00:00","" "4319907","21.6069","0.0003","15.769","0.001","24.4792","0.0004","90","","90","","90","","8340.5","0.6","173.2","","","","","","","","","","","6","C m c 21","C 2c -2","36","","","","- C60 H72 Cl16 Na3 O27 Ru2 -","- C60 Cl16 Na3 O27 Ru2 -","- C240 Cl64 Na12 O108 Ru8 -","4","0.5","","Hitoshi Miyasaka; Ho-Chol Chang; Katsunori Mochizuki; Susumu Kitagawa","Syntheses, Structures, and Physicochemical Properties of Diruthenium Compounds of Tetrachlorocatecholate with Metal-Metal Bonded Ru3+(μ-OR)2Ru3+ and Ru3.5+(μ-OR)2Ru3.5+ Cores (R = CH3 and C2H5)","Inorganic Chemistry","2001","40","","3544","3554","10.1021/ic0010252","","","0.7107","MoKα","","","0.0975","","","","0.1028","","","","","","2.088","","","","has coordinates","176467","2020-10-21","18:00:00","" "4319908","12.9343","0.0008","26.275","0.002","15.3341","0.0005","90","","114.004","0.001","90","","4760.6","0.5","173.2","","","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C80 H70 Cl16 Na2 O16 P2 Ru2 -","- C80 Cl16 Na2 O16 P2 Ru2 -","- C160 Cl32 Na4 O32 P4 Ru4 -","2","0.5","","Hitoshi Miyasaka; Ho-Chol Chang; Katsunori Mochizuki; Susumu Kitagawa","Syntheses, Structures, and Physicochemical Properties of Diruthenium Compounds of Tetrachlorocatecholate with Metal-Metal Bonded Ru3+(μ-OR)2Ru3+ and Ru3.5+(μ-OR)2Ru3.5+ Cores (R = CH3 and C2H5)","Inorganic Chemistry","2001","40","","3544","3554","10.1021/ic0010252","","","0.7107","MoKα","","","0.0815","","","","0.0879","","","","","","1.273","","","","has coordinates","176467","2020-10-21","18:00:00","" "4319909","13.529","0.001","12.0061","0.0009","30.1766","0.0005","90","","100.751","0.0004","90","","4815.6","0.5","173.2","","","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C46 H32 Cl8 N4 O6 P Ru -","- C46 Cl8 N4 O6 P Ru -","- C184 Cl32 N16 O24 P4 Ru4 -","4","1","","Hitoshi Miyasaka; Ho-Chol Chang; Katsunori Mochizuki; Susumu Kitagawa","Syntheses, Structures, and Physicochemical Properties of Diruthenium Compounds of Tetrachlorocatecholate with Metal-Metal Bonded Ru3+(μ-OR)2Ru3+ and Ru3.5+(μ-OR)2Ru3.5+ Cores (R = CH3 and C2H5)","Inorganic Chemistry","2001","40","","3544","3554","10.1021/ic0010252","","","0.7107","MoKα","","","0.0458","","","","0.0555","","","","","","1.244","","","","has coordinates","176467","2020-10-21","18:00:00","" "4319910","17.874","0.002","13.565","0.001","21.841","0.001","90","","97.663","0.002","90","","5248.3","0.7","173.2","","","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C50 H44 Cl8 N4 O6 P Ru -","- C50 Cl8 N4 O6 P Ru -","- C200 Cl32 N16 O24 P4 Ru4 -","4","1","","Hitoshi Miyasaka; Ho-Chol Chang; Katsunori Mochizuki; Susumu Kitagawa","Syntheses, Structures, and Physicochemical Properties of Diruthenium Compounds of Tetrachlorocatecholate with Metal-Metal Bonded Ru3+(μ-OR)2Ru3+ and Ru3.5+(μ-OR)2Ru3.5+ Cores (R = CH3 and C2H5)","Inorganic Chemistry","2001","40","","3544","3554","10.1021/ic0010252","","","0.7107","MoKα","","","0.0738","","","","0.0756","","","","","","1.322","","","","has coordinates","176467","2020-10-21","18:00:00","" "4319911","10.2472","0.0005","10.0343","0.0005","19.7082","0.0009","90","","92.659","0.001","90","","2024.28","0.17","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C24 H48 Br4 K2 O14 U -","- C24 H48 Br4 K2 O14 U -","- C48 H96 Br8 K4 O28 U2 -","2","0.5","","Janet A. Danis; Mavis R. Lin; Brian L. Scott; Bryan W. Eichhorn; Wolfgang H. Runde","Coordination Trends in Alkali Metal Crown Ether Uranyl Halide Complexes: The Series [A(Crown)]2[UO2X4] Where A = Li, Na, K and X = Cl, Br","Inorganic Chemistry","2001","40","","3389","3394","10.1021/ic0011056","","","0.71073","MoKα","","0.0293","0.0249","","","0.067","0.0686","","","","","","1.252","","","","has coordinates","179279","2020-10-21","18:00:00","" "4319912","14.5026","0.0007","14.5308","0.0007","15.4121","0.0007","90","","92.523","0.001","90","","3244.7","0.3","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C20 H40 Cl4 Na2 O12 U -","- C20 H40 Cl4 Na2 O12 U -","- C80 H160 Cl16 Na8 O48 U4 -","4","1","","Janet A. Danis; Mavis R. Lin; Brian L. Scott; Bryan W. Eichhorn; Wolfgang H. Runde","Coordination Trends in Alkali Metal Crown Ether Uranyl Halide Complexes: The Series [A(Crown)]2[UO2X4] Where A = Li, Na, K and X = Cl, Br","Inorganic Chemistry","2001","40","","3389","3394","10.1021/ic0011056","","","0.71073","MoKα","","0.043","0.0287","","0.0745","0.07","","","","1.306","1.418","1.418","","","","","has coordinates","264242","2021-04-16","08:52:17","" "4319913","15.456","0.0007","16.0178","0.0007","13.6571","0.0006","90","","90","","90","","3381.1","0.3","293","2","293","2","","","","","","","","6","P c c n","-P 2ab 2ac","56","","","","- C20 H40 Br4 Na2 O12 U -","- C20 H40 Br4 Na2 O12 U -","- C80 H160 Br16 Na8 O48 U4 -","4","0.5","","Janet A. Danis; Mavis R. Lin; Brian L. Scott; Bryan W. Eichhorn; Wolfgang H. Runde","Coordination Trends in Alkali Metal Crown Ether Uranyl Halide Complexes: The Series [A(Crown)]2[UO2X4] Where A = Li, Na, K and X = Cl, Br","Inorganic Chemistry","2001","40","","3389","3394","10.1021/ic0011056","","","0.71073","MoKα","","0.0388","0.0297","","","0.0755","0.0791","","","","","","1.149","","","","has coordinates","264242","2021-04-16","08:52:17","" "4319914","13.3401","0.0012","14.9628","0.0013","13.1511","0.0011","90","","90","","90","","2625","0.4","293","2","293","2","","","","","","","","6","F m m 2","F 2 -2","42","","","","- C16 H32 Cl4 Li2 O10 U -","- C16 Cl4 Li2 O10 U -","- C64 Cl16 Li8 O40 U4 -","4","0.25","","Janet A. Danis; Mavis R. Lin; Brian L. Scott; Bryan W. Eichhorn; Wolfgang H. Runde","Coordination Trends in Alkali Metal Crown Ether Uranyl Halide Complexes: The Series [A(Crown)]2[UO2X4] Where A = Li, Na, K and X = Cl, Br","Inorganic Chemistry","2001","40","","3389","3394","10.1021/ic0011056","","","0.71073","MoKα","","0.0408","0.0403","","","0.0918","0.0921","","","","","","1.143","","","","has coordinates","179279","2020-10-21","18:00:00","" "4319915","13.6561","0.0012","15.0387","0.0013","13.4092","0.0012","90","","90","","90","","2753.8","0.4","293","2","293","2","","","","","","","","6","C m c a","-C 2ac 2","64","","","","- C16 H32 Br4 Li2 O10 U -","- C16 Br4 Li2 O10 U -","- C64 Br16 Li8 O40 U4 -","4","","","Janet A. Danis; Mavis R. Lin; Brian L. Scott; Bryan W. Eichhorn; Wolfgang H. Runde","Coordination Trends in Alkali Metal Crown Ether Uranyl Halide Complexes: The Series [A(Crown)]2[UO2X4] Where A = Li, Na, K and X = Cl, Br","Inorganic Chemistry","2001","40","","3389","3394","10.1021/ic0011056","","","0.71073","MoKα","","0.0592","0.0506","","","0.1261","0.1272","","","","","","2.725","","","","has coordinates","179279","2020-10-21","18:00:00","" "4319916","8.559","0.008","11.145","0.004","14.255","0.006","94.54","0.03","94.85","0.08","109.43","0.07","1269.4","1.5","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C16 H16 Cu F6 N4 O6 S4 -","- C16 H16 Cu F6 N4 O6 S4 -","- C32 H32 Cu2 F12 N8 O12 S8 -","2","1","","Valeria Amendola; Luigi Fabbrizzi; Luca Gianelli; Cristina Maggi; Carlo Mangano; Piersandro Pallavicini; Michele Zema","Electrochemical Assembling/Disassembling of Helicates with Hysteresis","Inorganic Chemistry","2001","40","","3579","3587","10.1021/ic001155a","","","0.71073","MoKα","","0.1434","0.0949","","","0.2889","0.3297","","","","","","1.064","","","","has coordinates","179279","2020-10-21","18:00:00","" "4319917","16.475","0.007","11.926","0.004","16.271","0.005","90","","118.5","0.03","90","","2809.5","1.9","293","2","293","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C22 H24 Cu F6 N4 O6 S2 -","- C22 H24 Cu F6 N4 O6 S2 -","- C88 H96 Cu4 F24 N16 O24 S8 -","4","0.5","","Valeria Amendola; Luigi Fabbrizzi; Luca Gianelli; Cristina Maggi; Carlo Mangano; Piersandro Pallavicini; Michele Zema","Electrochemical Assembling/Disassembling of Helicates with Hysteresis","Inorganic Chemistry","2001","40","","3579","3587","10.1021/ic001155a","","","0.71069","MoKα","","0.0881","0.0451","","","0.1176","0.1468","","","","","","1.081","","","","has coordinates","179279","2020-10-21","18:00:00","" "4319918","13.872","0.007","18.79","0.006","20.971","0.011","90","","95.79","0.05","90","","5438","4","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C56 H54 Cl2 Cu2 N10 O8 -","- C56 H54 Cl2 Cu2 N10 O8 -","- C224 H216 Cl8 Cu8 N40 O32 -","4","1","","Valeria Amendola; Luigi Fabbrizzi; Luca Gianelli; Cristina Maggi; Carlo Mangano; Piersandro Pallavicini; Michele Zema","Electrochemical Assembling/Disassembling of Helicates with Hysteresis","Inorganic Chemistry","2001","40","","3579","3587","10.1021/ic001155a","","","0.71073","MoKα","","0.1081","0.0584","","","0.145","0.1628","","","","","","1.033","","","","has coordinates","179279","2020-10-21","18:00:00","" "4319919","9.42","0.05","9.969","0.009","12.06","0.019","93.08","0.09","104.9","0.2","102.28","0.17","1062","6","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C20 H24 Cl Cu N4 O4 -","- C20 H24 Cl Cu N4 O4 -","- C40 H48 Cl2 Cu2 N8 O8 -","2","1","","Valeria Amendola; Luigi Fabbrizzi; Luca Gianelli; Cristina Maggi; Carlo Mangano; Piersandro Pallavicini; Michele Zema","Electrochemical Assembling/Disassembling of Helicates with Hysteresis","Inorganic Chemistry","2001","40","","3579","3587","10.1021/ic001155a","","","0.71073","MoKα","","0.1923","0.0702","","","0.1551","0.1986","","","","","","0.991","","","","has coordinates","179279","2020-10-21","18:00:00","" "4319920","9.686","0.001","11.588","0.002","13.564","0.002","113.6","0.01","90.66","0.01","99.98","0.02","1368.5","0.4","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","Bis(dithioimidodiphosphinate)nickel(II) ditetrahydrophuran","","- C56 H56 N2 Ni O2 P4 S4 -","- C56 H56 N2 Ni O2 P4 S4 -","- C56 H56 N2 Ni O2 P4 S4 -","1","0.5","","Eugenio Simón-Manso; Mauricio Valderrama; Daphne Boys","Synthesis and Single-crystal Characterization of the Square Planar Complex [Ni{(SPPh2)2N-S,S'}2].2THF","Inorganic Chemistry","2001","40","","3647","3649","10.1021/ic001184l","","","0.71073","MoKα","","0.0596","0.0451","","0.131","","0.1237","","","1.058","","","1.138","","","","has coordinates","179279","2020-10-21","18:00:00","" "4319921","16.071","0.003","16.071","0.003","24.844","0.003","90","","90","","90","","6416.6","1.9","301.2","","301.2","","","","","","","","","7","I -4","I -4","82","","","","- C124 H108 B2 Cu6 F8 P8 Se4 -","- C124 H108 B2 Cu6 F8 P8 Se4 -","- C248 H216 B4 Cu12 F16 P16 Se8 -","2","0.25","","Vivian Wing-Wah Yam; Chi-Ho Lam; Wendy Kit-Mai Fung; Kung-Kai Cheung","Syntheses, Photophysics, and Photochemistry of Trinuclear Copper(I) Thiolate and Hexanuclear Copper(I) Selenolate Complexes: X-ray Crystal Structures of [Cu6(μ-dppm)4(μ3-SePh)4](BF4)2 and [Cu6{μ-(Ph2P)2NH}4(μ3-SePh)4](BF4)2","Inorganic Chemistry","2001","40","","3435","3442","10.1021/ic0012322","","","0.7107","MoKalpha","","","0.0553","","","0.0736","","","","","2.5","2.5","","","","","has coordinates","176467","2020-10-21","18:00:00","" "4319922","17.718","0.003","15.838","0.003","25.509","0.003","90","","99.2","0.02","90","","7066","2","301.2","","301.2","","","","","","","","","9","P 1 21 1","P 2yb","4","","","","- C129 H118 B2 Cu6 F8 N4 O3 P8 Se4 -","- C129 H118 B2 Cu6 F8 N4 O3 P8 Se4 -","- C258 H236 B4 Cu12 F16 N8 O6 P16 Se8 -","2","1","","Vivian Wing-Wah Yam; Chi-Ho Lam; Wendy Kit-Mai Fung; Kung-Kai Cheung","Syntheses, Photophysics, and Photochemistry of Trinuclear Copper(I) Thiolate and Hexanuclear Copper(I) Selenolate Complexes: X-ray Crystal Structures of [Cu6(μ-dppm)4(μ3-SePh)4](BF4)2 and [Cu6{μ-(Ph2P)2NH}4(μ3-SePh)4](BF4)2","Inorganic Chemistry","2001","40","","3435","3442","10.1021/ic0012322","","","0.7107","MoKalpha","","","0.0793","","","0.1071","","","","","2.357","2.357","","","","","has coordinates","176467","2020-10-21","18:00:00","" "4319923","10.092","0.005","21.818","0.008","6.523","0.004","90","","90","","90","","1436.3","1.2","293","2","293","2","","","","","","","","5","P n n m","-P 2 2n","58","","","","- C18 H48 Ag2 N8 O12 -","- C18 H48 Ag2 N8 O12 -","- C36 H96 Ag4 N16 O24 -","2","0.25","","Shao-Liang Zheng; Ming-Liang Tong; Ruo-Wen Fu; Xiao-Ming Chen; Seik-Weng Ng","Toward Designed Assembly of Microporous Coordination Networks Constructed from Silver(I)-Hexamethylenetetramine Layers","Inorganic Chemistry","2001","40","","3562","3569","10.1021/ic001237z","","","0.71073","MoKα","","0.0568","0.0446","","","0.1186","0.1264","","","","","","1.055","","","","has coordinates","179279","2020-10-21","18:00:00","" "4319924","6.604","0.002","24.078","0.01","10.514","0.006","90","","93.38","","90","","1668.9","1.3","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C13 H21 Ag N5 O6.5 -","- C13 H21 Ag N5 O6.5 -","- C52 H84 Ag4 N20 O26 -","4","1","","Shao-Liang Zheng; Ming-Liang Tong; Ruo-Wen Fu; Xiao-Ming Chen; Seik-Weng Ng","Toward Designed Assembly of Microporous Coordination Networks Constructed from Silver(I)-Hexamethylenetetramine Layers","Inorganic Chemistry","2001","40","","3562","3569","10.1021/ic001237z","","","0.71073","MoKα","","0.0679","0.0478","","","0.1162","0.1263","","","","","","1.032","","","","has coordinates","176467","2020-10-21","18:00:00","" "4319925","6.621","0.002","23.534","0.007","10.414","0.003","90","","94.25","0.01","90","","1618.2","0.8","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C13 H21 Ag N5 O6.5 -","- C13 H21 Ag N5 O6.5 -","- C52 H84 Ag4 N20 O26 -","4","1","","Shao-Liang Zheng; Ming-Liang Tong; Ruo-Wen Fu; Xiao-Ming Chen; Seik-Weng Ng","Toward Designed Assembly of Microporous Coordination Networks Constructed from Silver(I)-Hexamethylenetetramine Layers","Inorganic Chemistry","2001","40","","3562","3569","10.1021/ic001237z","","","0.71073","MoKα","","0.0538","0.0376","","","0.0906","0.0987","","","","","","1.035","","","","has coordinates","176467","2020-10-21","18:00:00","" "4319926","23.026","0.007","6.527","0.001","10.466","0.004","90","","90","","90","","1572.9","0.8","293","2","293","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C13 H15 Ag N6 O6 -","- C13 H15 Ag N6 O6 -","- C52 H60 Ag4 N24 O24 -","4","0.5","","Shao-Liang Zheng; Ming-Liang Tong; Ruo-Wen Fu; Xiao-Ming Chen; Seik-Weng Ng","Toward Designed Assembly of Microporous Coordination Networks Constructed from Silver(I)-Hexamethylenetetramine Layers","Inorganic Chemistry","2001","40","","3562","3569","10.1021/ic001237z","","","0.71073","MoKα","","0.0659","0.038","","","0.0757","0.0848","","","","","","1.023","","","","has coordinates","179279","2020-10-21","18:00:00","" "4319927","12.154","0.01","15.125","0.016","11.03","0.007","90","","90","","90","","2028","3","293","2","293","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C19 H25 Ag N4 O4 -","- C19 H25 Ag N4 O4 -","- C76 H100 Ag4 N16 O16 -","4","1","","Shao-Liang Zheng; Ming-Liang Tong; Ruo-Wen Fu; Xiao-Ming Chen; Seik-Weng Ng","Toward Designed Assembly of Microporous Coordination Networks Constructed from Silver(I)-Hexamethylenetetramine Layers","Inorganic Chemistry","2001","40","","3562","3569","10.1021/ic001237z","","","0.71073","MoKα","","0.065","0.0414","","","0.0989","0.111","","","","","","1.022","","","","has coordinates","179279","2020-10-21","18:00:00","" "4319928","12.256","0.008","15.028","0.008","11.013","0.003","90","","90","","90","","2028.4","1.8","293","2","293","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C19 H25 Ag N4 O4 -","- C19 H25 Ag N4 O4 -","- C76 H100 Ag4 N16 O16 -","4","1","","Shao-Liang Zheng; Ming-Liang Tong; Ruo-Wen Fu; Xiao-Ming Chen; Seik-Weng Ng","Toward Designed Assembly of Microporous Coordination Networks Constructed from Silver(I)-Hexamethylenetetramine Layers","Inorganic Chemistry","2001","40","","3562","3569","10.1021/ic001237z","","","0.71073","MoKα","","0.0741","0.0461","","","0.1044","0.1156","","","","","","1.012","","","","has coordinates","179279","2020-10-21","18:00:00","" "4319929","12.193","0.007","11.044","0.003","33.57","0.017","90","","90","","90","","4521","4","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C20 H29 Ag N4 O5 -","- C20 H29 Ag N4 O5 -","- C160 H232 Ag8 N32 O40 -","8","1","","Shao-Liang Zheng; Ming-Liang Tong; Ruo-Wen Fu; Xiao-Ming Chen; Seik-Weng Ng","Toward Designed Assembly of Microporous Coordination Networks Constructed from Silver(I)-Hexamethylenetetramine Layers","Inorganic Chemistry","2001","40","","3562","3569","10.1021/ic001237z","","","0.71073","MoKα","","0.1245","0.0579","","","0.1234","0.149","","","","","","0.968","","","","has coordinates","179279","2020-10-21","18:00:00","" "4319930","17.228","0.008","11.979","0.004","11.177","0.005","90","","90","","90","","2306.6","1.7","293","2","293","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C16 H34 Ag2 N8 O8 -","- C16 H34 Ag2 N8 O8 -","- C64 H136 Ag8 N32 O32 -","4","0.5","","Shao-Liang Zheng; Ming-Liang Tong; Ruo-Wen Fu; Xiao-Ming Chen; Seik-Weng Ng","Toward Designed Assembly of Microporous Coordination Networks Constructed from Silver(I)-Hexamethylenetetramine Layers","Inorganic Chemistry","2001","40","","3562","3569","10.1021/ic001237z","","","0.71073","MoKα","","0.0935","0.0499","","","0.1176","0.1362","","","","","","0.988","","","","has coordinates","179279","2020-10-21","18:00:00","" "4319931","11.889","0.002","12.158","0.002","13.225","0.002","76.689","0.013","85.589","0.014","62.898","0.012","1655.1","0.5","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","Aqua Tris(trifluoroacetate), bis(phenanthroline), gadolinium","","- C30 H18 F9 Gd N4 O7 -","- C30 H18 F8.994 Gd N4 O7 -","- C60 H36 F17.988 Gd2 N8 O14 -","2","1","","Alberto Rizzi; Ricardo Baggio; Rafael Calvo; Maria T. Garland; Octavio Peña; Mireille Perec","Synthesis, Crystal Structure, and Magnetic Properties of the Mixed-Ligand Complex [Gd(CF3CO2)3(phen)2(H2O)]","Inorganic Chemistry","2001","40","","3623","3625","10.1021/ic001243v","","","0.71073","MoKα","","0.0426","0.0371","","","0.0957","0.0997","","","","","","1.052","","","","has coordinates","179279","2020-10-21","18:00:00","" "4319932","7.9453","0.0005","10.3439","0.0007","11.6252","0.0007","90","","90","","90","","955.42","0.11","298","","298","","","","","","","","synthesis as described","5","C 2 2 21","C 2c 2","20","","sodium tin trisilicate dihydrate","","- H4 Na2 O11 Si3 Sn -","- Na2 O11 Si3 Sn -","- Na8 O44 Si12 Sn4 -","4","0.5","","Artur Ferreira; Zhi Lin; João Rocha; Cláudia M. Morais; Marta Lopes; Christian Fernandez","Ab Initio Structure Determination of a Small-Pore Framework Sodium Stannosilicate","Inorganic Chemistry","2001","40","","3330","3335","10.1021/ic0012571","powder diffraction","x-ray","1.54056","CuKα~1~","","","","","","","","","0.0495","1.93","","","","","","","has coordinates","213922","2020-10-21","18:00:00","" "4319933","13.989","0.0007","24.8","0.002","11.0608","0.0006","90","","95.566","0.005","90","","3819.2","0.4","293","2","293","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C24 H54 Ga P3 S6 -","- C24 H54 Ga P3 S6 -","- C96 H216 Ga4 P12 S24 -","4","1","","Jin-Ho Park; Paul O'Brien; Andrew J. P. White; David J. Williams","Variable Coordination Modes in Dialkyldithiophosphinato Complexes of Group 13 Metals: The X-ray Single Crystal Structures of Tris(diisobutyldithiophosphinato)gallium(III) and -indium(III)","Inorganic Chemistry","2001","40","","3629","3631","10.1021/ic001331f","","","1.54178","CuKα","","0.07","0.0614","","0.1798","0.1649","","","","1.047","1.058","1.058","","","","","has coordinates","176467","2020-10-21","18:00:00","" "4319934","14.551","0.0013","14.551","0.0013","30.608","0.002","90","","90","","120","","5612.4","0.8","293","2","293","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C24 H54 In P3 S6 -","- C24 H54 In P3 S6 -","- C144 H324 In6 P18 S36 -","6","0.333333","","Jin-Ho Park; Paul O'Brien; Andrew J. P. White; David J. Williams","Variable Coordination Modes in Dialkyldithiophosphinato Complexes of Group 13 Metals: The X-ray Single Crystal Structures of Tris(diisobutyldithiophosphinato)gallium(III) and -indium(III)","Inorganic Chemistry","2001","40","","3629","3631","10.1021/ic001331f","","","0.71073","MoKα","","0.0414","0.032","","0.0748","0.0704","","","","1.056","1.084","1.084","","","","","has coordinates","176467","2020-10-21","18:00:00","" "4319935","8.4643","0.001","22.526","0.002","22.743","0.002","118.684","0.004","90.71","0.001","91.511","0.004","3801.3","0.7","155","2","155","2","","","","","","","synthetic","6","P -1","-P 1","2","alpha isomer","","","- C16 H40 Cl12 N2 O6 W6 -","- C16 H40 Cl12 N2 O6 W6 -","- C64 H160 Cl48 N8 O24 W24 -","4","2","","Nathan R. M. Crawford; Jeffrey R. Long","Edge-Bridged Octahedral Tungsten-Oxygen-Chlorine Clusters: Synthesis and Characterization of Two D3d-Symmetric [W6O6Cl12]2- Isomers and [W6O7Cl11]3-","Inorganic Chemistry","2001","40","","3456","3462","10.1021/ic0013734","","","0.71073","MoKα","","0.1514","0.0763","","0.2005","0.1746","","","","1.067","1.258","1.258","","","","","has coordinates","179279","2020-10-21","18:00:00","" "4319936","11.6748","0.0003","24.8097","0.0008","14.5093","0.0004","90","","113.12","0.001","90","","3865.06","0.19","163","2","163","2","","","","","","","synthetic","6","P 1 21/n 1","-P 2yn","14","beta isomer","","","- C16 H40 Cl12 N2 O6 W6 -","- C16 H40 Cl12 N2 O6 W6 -","- C64 H160 Cl48 N8 O24 W24 -","4","1","","Nathan R. M. Crawford; Jeffrey R. Long","Edge-Bridged Octahedral Tungsten-Oxygen-Chlorine Clusters: Synthesis and Characterization of Two D3d-Symmetric [W6O6Cl12]2- Isomers and [W6O7Cl11]3-","Inorganic Chemistry","2001","40","","3456","3462","10.1021/ic0013734","","","0.71073","MoKα","","0.0402","0.0226","","0.0405","0.0384","","","","0.878","0.976","0.976","","","","","has coordinates","179279","2020-10-21","18:00:00","" "4319937","19.545","0.004","18.563","0.003","13.422","0.002","90","","92.545","0.005","90","","4864.9","1.5","147","2","147","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C24 H60 Cl11 N3 O7 W6 -","- C24 H60 Cl11 N3 O7 W6 -","- C96 H240 Cl44 N12 O28 W24 -","4","0.5","","Nathan R. M. Crawford; Jeffrey R. Long","Edge-Bridged Octahedral Tungsten-Oxygen-Chlorine Clusters: Synthesis and Characterization of Two D3d-Symmetric [W6O6Cl12]2- Isomers and [W6O7Cl11]3-","Inorganic Chemistry","2001","40","","3456","3462","10.1021/ic0013734","","","0.71073","MoKα","","0.1454","0.043","","0.0779","0.0625","","","","0.768","0.974","0.974","","","","","has coordinates","179279","2020-10-21","18:00:00","" "4319938","13.93","0.005","14.783","0.005","11.137","0.006","89.87","0.04","107.47","0.03","96.68","0.03","2171.5","1.6","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C42 H44 Cl0.5 Cr0.5 N9 O8 Ru -","- C48.5 H30 Cl0.5 Cr0.5 N9 O Ru -","- C97 H60 Cl Cr N18 O2 Ru2 -","2","1","","Takuhiro Otsuka; Akiko Sekine; Naoki Fujigasaki; Yuji Ohashi; Youkoh Kaizu","Energy-Transfer Rate in Crystals of Double-Complex Salts Composed of [Ru(N-N)3]2+ (N-N = 2,2'-Bipyridine or 1,10-Phenanthroline) and [Cr(CN)6]3-: Effect of Relative Orientation between Donor and Acceptor","Inorganic Chemistry","2001","40","","3406","3412","10.1021/ic0013936","","","0.71073","MoKα","","0.2008","0.1189","","","0.3165","0.3642","","","","","","1.208","","","","has coordinates","176467","2020-10-21","18:00:00","" "4319939","22.414","0.002","13.7686","0.0015","22.207","0.002","90","","90.713","0.008","90","","6852.8","1.1","293","2","293","2","","","","","","","","7","C 1 2 1","C 2y","5","","","","- C66 H48 Cl Cr N18 O8 Ru2 -","- C66 H48 Cl Cr N18 O8 Ru2 -","- C264 H192 Cl4 Cr4 N72 O32 Ru8 -","4","1","","Takuhiro Otsuka; Akiko Sekine; Naoki Fujigasaki; Yuji Ohashi; Youkoh Kaizu","Energy-Transfer Rate in Crystals of Double-Complex Salts Composed of [Ru(N-N)3]2+ (N-N = 2,2'-Bipyridine or 1,10-Phenanthroline) and [Cr(CN)6]3-: Effect of Relative Orientation between Donor and Acceptor","Inorganic Chemistry","2001","40","","3406","3412","10.1021/ic0013936","","","0.71069","MoKa","","0.0751","0.0489","","0.7482","0.1367","","","","1.062","1.073","1.073","","","","","has coordinates","179279","2020-10-21","18:00:00","" "4319940","22.414","0.003","13.814","0.004","22.299","0.004","90","","90.531","0.013","90","","6904","3","296","2","296","2","","","","","","","","7","C 1 2 1","C 2y","5","","","","- C66 H48 Br Cr N18 O8 Ru2 -","- C66 H48 Br Cr N18 O8 Ru2 -","- C264 H192 Br4 Cr4 N72 O32 Ru8 -","4","1","","Takuhiro Otsuka; Akiko Sekine; Naoki Fujigasaki; Yuji Ohashi; Youkoh Kaizu","Energy-Transfer Rate in Crystals of Double-Complex Salts Composed of [Ru(N-N)3]2+ (N-N = 2,2'-Bipyridine or 1,10-Phenanthroline) and [Cr(CN)6]3-: Effect of Relative Orientation between Donor and Acceptor","Inorganic Chemistry","2001","40","","3406","3412","10.1021/ic0013936","","","0.71073","MoKa","","0.1691","0.0553","","0.1298","0.0942","","","","0.963","1.126","1.126","","","","","has coordinates","179279","2020-10-21","18:00:00","" "4319941","7.4073","0.0006","9.847","0.0008","11.9043","0.001","110.756","0.002","97.626","0.001","103.771","0.002","765.75","0.11","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C7 H8 Cu2 N16 -","- C7 H8 Cu2 N16 -","- C14 H16 Cu4 N32 -","2","1","","Lei Zhang; Liang-Fu Tang; Zhi-Hong Wang; Miao Du; Miguel Julve; Francesc Lloret; Ji-Tao Wang","Ferromagnetic Coupling in a One-Dimensional Molecular Railroad Copper(II) Azido Compound Containing a Defective Double Cubane Motif","Inorganic Chemistry","2001","40","","3619","3622","10.1021/ic001406f","","","0.71073","MoKα","","0.0328","0.0301","","","0.086","0.0882","","","","","","1.093","","","","has coordinates","179279","2020-10-21","18:00:00","" "4319942","11.7551","0.0005","16.799","0.0006","18.7648","0.0009","90","","104.621","0.008","90","","3585.6","0.3","294","","294","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C53 H97 Cl5 N2 O29 Pt -","- C53 H90 Cl5 N2 O29 Pt -","- C106 H180 Cl10 N4 O58 Pt2 -","2","1","","Dominique Armspach; Dominique Matt","Metal-Capped α-Cyclodextrins: Squaring the Circle","Inorganic Chemistry","2001","40","","3505","3509","10.1021/ic001414w","","","0.71073","Mo-Kα","","0.094","0.05","","1.387","","0.063","","","9.83","","","1.02","","","","has coordinates","176432","2020-10-21","18:00:00","" "4319943","38.867","0.007","8.438","0.008","11.239","0.006","90","","90.994","0.009","90","","3685","4","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C31 H16 Fe0.5 N4 S12 -","- C31 H16 Fe0.5 N4 S12 -","- C124 H64 Fe2 N16 S48 -","4","0.5","","Miguel Clemente-León; Eugenio Coronado; José R. Galán-Mascarós; Carlos Giménez-Saiz; Carlos J. Gómez-García; Elisabet Ribera; José Vidal-Gancedo; Concepció Rovira; E. Canadell; Vladimir Laukhin","Hybrid Molecular Materials Based upon Organic π-Electron Donors and Metal Complexes. Radical Salts of Bis(ethylenethia)tetrathiafulvalene (BET-TTF) with the Octahedral Anions Hexacyanoferrate(III) and Nitroprusside. The First Kappa Phase in the BET-TTF Family","Inorganic Chemistry","2001","40","","3526","3533","10.1021/ic001431l","","","0.71069","MoKα","","0.2131","0.0754","","","0.1711","0.2202","","","","","","0.945","","","","has coordinates,has disorder","288183","2023-12-08","14:42:59","" "4319944","16.237","0.006","18.097","0.008","12.663","0.007","90","","106.016","0.009","90","","3576","3","293","2","293","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C26 H18 Cl2 Fe N6 O S12 -","- C25.98 H18 Cl2 Fe N6 O1.02 S12 -","- C103.92 H72 Cl8 Fe4 N24 O4.08 S48 -","4","0.5","","Miguel Clemente-León; Eugenio Coronado; José R. Galán-Mascarós; Carlos Giménez-Saiz; Carlos J. Gómez-García; Elisabet Ribera; José Vidal-Gancedo; Concepció Rovira; E. Canadell; Vladimir Laukhin","Hybrid Molecular Materials Based upon Organic π-Electron Donors and Metal Complexes. Radical Salts of Bis(ethylenethia)tetrathiafulvalene (BET-TTF) with the Octahedral Anions Hexacyanoferrate(III) and Nitroprusside. The First Kappa Phase in the BET-TTF Family","Inorganic Chemistry","2001","40","","3526","3533","10.1021/ic001431l","","","0.71069","MoKα","","0.4742","0.086","","","0.2091","0.3897","","","","","","0.783","","","","has coordinates,has disorder","288183","2023-12-08","14:42:59","" "4319945","11.638","0.003","13.124","0.003","11.48","0.003","108.66","0.02","110.25","0.02","103.25","0.02","1440.1","0.8","294","2","294","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H31 B9 O2 P2 -","- C26 H31 B9 O2 P2 -","- C52 H62 B18 O4 P4 -","2","1","","C. Viñas; R. Núñez; I. Rojo; F. Teixidor; R. Kivekäs; R. Sillanpää","Proton Mediated Partial Degradation of Closo-dicarbaboranes","Inorganic Chemistry","2001","40","","3259","3260","10.1021/ic001477e","","","0.71069","MoKα","","0.1506","0.0547","","","0.111","0.137","","","","","","1.001","","","","has coordinates","179279","2020-10-21","18:00:00","" "4319946","8.9575","0.0019","3.6596","0.0007","16.2","0.003","90","","96.834","0.003","90","","527.28","0.18","193","2","193","2","","","","","","","","4","P 1 2/c 1","-P 2yc","13","","","","- C2 H12 N14 O -","- C2 H12 N14 O -","- C4 H24 N28 O2 -","2","0.5","","Anton Hammerl; Thomas M. Klapötke; Heinrich Nöth; Marcus Warchhold; Gerhard Holl; Manfred Kaiser; Uldis Ticmanis","[N2H5]+2[N4C-NN-CN4]2-: A New High-Nitrogen High-Energetic Material","Inorganic Chemistry","2001","40","","3570","3575","10.1021/ic010063y","","","0.71073","MoKα","","0.065","0.0499","","","0.1286","0.1383","","","","","","1.05","","","","has coordinates","211332","2020-10-21","18:00:00","" "4319947","4.6208","0.0006","8.5854","0.0012","9.2705","0.0013","108.486","0.002","95.29","0.002","102.991","0.002","334.51","0.08","193","2","193","2","","","","","","","","3","P -1","-P 1","2","","","","- C2 H18 N18 -","- C2 H18 N18 -","- C2 H18 N18 -","1","0.5","","Anton Hammerl; Thomas M. Klapötke; Heinrich Nöth; Marcus Warchhold; Gerhard Holl; Manfred Kaiser; Uldis Ticmanis","[N2H5]+2[N4C-NN-CN4]2-: A New High-Nitrogen High-Energetic Material","Inorganic Chemistry","2001","40","","3570","3575","10.1021/ic010063y","","","0.71073","MoKα","","0.0417","0.0354","","","0.0949","0.0989","","","","","","1.045","","","","has coordinates","211332","2020-10-21","18:00:00","" "4319948","28.232","0.003","10.1021","0.0009","20.5468","0.0018","90","","129.689","0.001","90","","4509.4","0.7","110","2","110","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C48 H72 Cd F4 O2 P2 -","- C48 H72 Cd F4 O2 P2 -","- C192 H288 Cd4 F16 O8 P8 -","4","0.5","","Donald J. Darensbourg; Jacob R. Wildeson; Jason C. Yarbrough; Robert E. Taylor","Tricyclohexylphosphine Derivatives of Bis(2,6-difluorophenoxide)cadmium: A Solution and Solid-State NMR Study","Inorganic Chemistry","2001","40","","3639","3642","10.1021/ic010104q","","","0.71073","MoKα","","0.1055","0.0737","","","0.1751","0.1956","","","","","","1","","","","has coordinates,has disorder","179279","2020-10-21","18:00:00","" "4319949","8.894","0.002","9","0.002","11.383","0.002","90","","90.68","0.02","90","","911.1","0.3","173","2","173","2","","","","","","","","1","P 1 21/n 1","-P 2yn","14","","cyclooctaselenium","","- Se8 -","- Se8 -","- Se32 -","4","1","","Arto Maaninen; Jari Konu; Risto S. Laitinen; Tristram Chivers; Gabriele Schatte; Jarkko Pietikäinen; Markku Ahlgrén","Preparation, Crystal Structure, and Spectroscopic Characterization of [(Se2SN2)Cl]2","Inorganic Chemistry","2001","40","","3539","3543","10.1021/ic010141h","","","0.71073","MoKα","","0.1256","0.0593","","","0.1247","0.1676","","","","","","1.298","","","","has coordinates","201982","2020-10-21","18:00:00","" "4319950","8.5721","0.0007","7.8336","0.0006","15.2277","0.001","90","","90","","90","","1022.55","0.13","120","2","173","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- Cl N2 S Se2 -","- Cl N2 S Se2 -","- Cl8 N16 S8 Se16 -","8","1","","Arto Maaninen; Jari Konu; Risto S. Laitinen; Tristram Chivers; Gabriele Schatte; Jarkko Pietikäinen; Markku Ahlgrén","Preparation, Crystal Structure, and Spectroscopic Characterization of [(Se2SN2)Cl]2","Inorganic Chemistry","2001","40","","3539","3543","10.1021/ic010141h","","","0.71073","MoKα","","0.0348","0.0287","","","0.0531","0.0547","","","","","","1.269","","","","has coordinates","179279","2020-10-21","18:00:00","" "4319951","9.5015","0.001","5.472","0.001","14.523","0.004","90","0.03","95.01","0.03","90","0.02","752.2","0.3","293","2","293","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- C6 H16 Mn3 N2 O12 P4 -","- C3 H4 Mn3 N2 O12 P4 -","- C6 H8 Mn6 N4 O24 P8 -","2","0.25","","Sergio Fernández; José L. Pizarro; José L. Mesa; Luis Lezama; María I. Arriortua; Roger Olazcuaga; Teófilo Rojo","Hydrothermal Synthesis and Structural Characterization of the (CnH2n+6N2)[Mn3(HPO3)4] (n= 3-8) New Layered Inorganic-Organic Hybrid Manganese(II) Phosphites. Crystal Structure and Spectroscopic and Magnetic Properties of (C3H12N2)[Mn3(HPO3)4]","Inorganic Chemistry","2001","40","","3476","3483","10.1021/ic010166g","","","0.7107","MoKα","","0.0519","0.0259","","","0.0517","0.056","","","","","","0.858","","","","has coordinates","179279","2020-10-21","18:00:00","" "4319952","15.4804","0.0004","15.4804","0.0004","15.4804","0.0004","90","","90","","90","","3709.77","0.17","213","2","293","2","","","","","","","synthesis","5","P 21 3","P 2ac 2ab 3","198","","","","- C38 H36 Cl4 Mn P2 -","- C38 H36 Cl4 Mn P2 -","- C152 H144 Cl16 Mn4 P8 -","4","0.333333","","F. Albert Cotton; Lee M. Daniels; Penglin Huang","Correlation of Structure and Triboluminescence for Tetrahedral Manganese(II) Compounds","Inorganic Chemistry","2001","40","","3576","3578","10.1021/ic0101836","","","0.71073","MoKα","","0.0369","0.0343","","0.0966","0.088","","","","1.101","1.097","1.097","","","","","has coordinates","179279","2020-10-21","18:00:00","" "4319953","9.016","0.003","36.901","0.022","15.495","0.003","90","","90.72","0.03","90","","5155","4","213","2","213","2","","","","","","","synthesis","5","P 1 21/n 1","-P 2yn","14","","","","- C8 H24 Cl4 Mn N2 -","- C8 H24 Cl4 Mn N2 -","- C96 H288 Cl48 Mn12 N24 -","12","3","","F. Albert Cotton; Lee M. Daniels; Penglin Huang","Correlation of Structure and Triboluminescence for Tetrahedral Manganese(II) Compounds","Inorganic Chemistry","2001","40","","3576","3578","10.1021/ic0101836","","","0.71073","MoKα","","0.0703","0.0566","","0.1587","0.1419","","","","1.123","1.099","1.099","","","","","has coordinates","179279","2020-10-21","18:00:00","" "4319954","13.362","0.001","13.362","0.001","14.411","0.001","90","","90","","90","","2573","0.3","293","2","293","2","","","","","","","synthesis","5","P -4 21 m","P -4 2ab","113","","","","- C16 H40 Br4 Mn N2 -","- C16 H29.35 Br4 Mn N2 -","- C64 H117.4 Br16 Mn4 N8 -","4","0.5","","F. Albert Cotton; Lee M. Daniels; Penglin Huang","Correlation of Structure and Triboluminescence for Tetrahedral Manganese(II) Compounds","Inorganic Chemistry","2001","40","","3576","3578","10.1021/ic0101836","","","0.71073","MoKα","","0.1053","0.0413","","0.1216","0.0964","","","","1.019","1.061","1.061","","","","","has coordinates,has disorder","179279","2020-10-21","18:00:00","" "4319955","9.9735","0.0012","10.191","0.003","10.538","0.002","65.323","0.011","63.493","0.012","89.44","0.02","850.2","0.4","213","2","293","2","","","","","","","synthesis","6","P 1","P 1","1","","Mangnese dibromide bis(triphenyl phosphine oxide)","","- C36 H30 Br2 Mn O2 P2 -","- C36 H30 Br2 Mn O2 P2 -","- C36 H30 Br2 Mn O2 P2 -","1","1","","F. Albert Cotton; Lee M. Daniels; Penglin Huang","Correlation of Structure and Triboluminescence for Tetrahedral Manganese(II) Compounds","Inorganic Chemistry","2001","40","","3576","3578","10.1021/ic0101836","","","0.71073","MoKα","","0.0382","0.0372","","0.0991","0.0971","","","","1.044","1.033","1.033","","","","","has coordinates","179279","2020-10-21","18:00:00","" "4319956","17.816","0.003","10.164","0.001","18.807","0.003","90","","90","","90","","3405.6","0.9","213","2","293","2","","","","","","","synthesis","6","P c a 21","P 2c -2ac","29","","Manganese dibromide bis(triphenylarsine oxide)","","- C36 H30 As2 Br2 Mn O2 -","- C36 H30 As2 Br2 Mn O2 -","- C144 H120 As8 Br8 Mn4 O8 -","4","1","","F. Albert Cotton; Lee M. Daniels; Penglin Huang","Correlation of Structure and Triboluminescence for Tetrahedral Manganese(II) Compounds","Inorganic Chemistry","2001","40","","3576","3578","10.1021/ic0101836","","","0.71073","MoKα","","0.0718","0.0596","","0.1601","0.1438","","","","1.097","1.077","1.077","","","","","has coordinates","179279","2020-10-21","18:00:00","" "4319957","10.094","0.004","10.439","0.002","34.852","0.015","83.17","0.04","86.09","0.02","75.16","0.03","3522","2","213","2","293","2","","","","","","","synthesis","6","P -1","-P 1","2","","","","- C36 H30 As2 I2 Mn O2 -","- C36 H30 As2 I2 Mn O2 -","- C144 H120 As8 I8 Mn4 O8 -","4","2","","F. Albert Cotton; Lee M. Daniels; Penglin Huang","Correlation of Structure and Triboluminescence for Tetrahedral Manganese(II) Compounds","Inorganic Chemistry","2001","40","","3576","3578","10.1021/ic0101836","","","0.71073","MoKα","","0.0599","0.0485","","0.118","0.1081","","","","1.1","1.093","1.093","","","","","has coordinates","179279","2020-10-21","18:00:00","" "4319958","11.195","0.003","12.439","0.003","13.072","0.003","69.12","0.014","88.995","0.014","69.676","0.013","1583.1","0.7","223","2","223","2","","","","","","","","6","P -1","-P 1","2","","","","- C40 H24 Cl Cu N4 O4 -","- C40 H24 Cl Cu N4 O4 -","- C80 H48 Cl2 Cu2 N8 O8 -","2","1","","Elvira C. Riesgo; Yi-Zhen Hu; Frédéric Bouvier; Randolph P. Thummel; Donald V. Scaltrito; Gerald J. Meyer","Crowded Cu(I) Complexes Involving Benzo[h]quinoline: π-Stacking Effects and Long-Lived Excited States","Inorganic Chemistry","2001","40","","3413","3422","10.1021/ic010297h","","","0.71073","MoKα","","0.0489","0.0385","","","0.103","0.1142","","","","","","1.042","","","","has coordinates","179279","2020-10-21","18:00:00","" "4319959","20.389","0.004","12.114","0.002","21.103","0.004","90","","108.32","0.03","90","","4948.1","1.8","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C111 H92 F10 P4 Pt2 -","- C111 H84 F10 P4 Pt2 -","- C222 H168 F20 P8 Pt4 -","2","0.5","","Wolfgang Mohr; Jürgen Stahl; Frank Hampel; J. A. Gladysz","Bent and Stretched but Not Yet to the Breaking Point: C8-C16 sp Carbon Chains That Span Two Platinum Atoms and the First Structurally Characterized 1,3,5,7,9,11,13,15-Octayne","Inorganic Chemistry","2001","40","","3263","3264","10.1021/ic010309z","","","0.71073","MoKα","","0.0675","0.0374","","","0.0771","0.0868","","","","","","1.018","","","","has coordinates","179279","2020-10-21","18:00:00","" "4319960","15.5846","0.0001","16.686","0.0002","17.1428","0.0002","100.741","0.001","100.762","0.001","117.576","0.001","3686.54","0.09","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C172 H144 F10 P4 Pt2 -","- C172 H144 F10 P4 Pt2 -","- C172 H144 F10 P4 Pt2 -","1","0.5","","Wolfgang Mohr; Jürgen Stahl; Frank Hampel; J. A. Gladysz","Bent and Stretched but Not Yet to the Breaking Point: C8-C16 sp Carbon Chains That Span Two Platinum Atoms and the First Structurally Characterized 1,3,5,7,9,11,13,15-Octayne","Inorganic Chemistry","2001","40","","3263","3264","10.1021/ic010309z","","","0.71073","MoKα","","0.036","0.0273","","","0.0661","0.0698","","","","","","1.019","","","","has coordinates","179279","2020-10-21","18:00:00","" "4319961","19.9891","0.0002","26.3139","0.0002","21.978","0.0002","90","","93.18","0.001","90","","11542.4","0.18","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C168 H144 F10 O P4 Pt2 -","- C134 H113 F10 O P4 Pt2 -","- C536 H452 F40 O4 P16 Pt8 -","4","1","","Wolfgang Mohr; Jürgen Stahl; Frank Hampel; J. A. Gladysz","Bent and Stretched but Not Yet to the Breaking Point: C8-C16 sp Carbon Chains That Span Two Platinum Atoms and the First Structurally Characterized 1,3,5,7,9,11,13,15-Octayne","Inorganic Chemistry","2001","40","","3263","3264","10.1021/ic010309z","","","0.71073","MoKα","","0.0681","0.0388","","","0.0911","0.1033","","","","","","1.03","","","","has coordinates","179279","2020-10-21","18:00:00","" "4319962","11.616","0.003","12.793","0.002","10.536","0.005","111.1","0.02","108.77","0.03","77.29","0.02","1373.4","0.8","298.2","","298.2","","","","","","","","","7","P -1","-P 1","2","","","","- C45 H80 Cl2 F6 O8 P3 Ru2 -","- C45 H80 Cl2 F6 O8 P3 Ru2 -","- C45 H80 Cl2 F6 O8 P3 Ru2 -","1","0.5","","Glen G. Briand; Michael W. Cooke; T. Stanley Cameron; Heather M. Farrell; Tara J. Burchell; Manuel A. S. Aquino","An Axial Phosphine Diadduct of Diruthenium(II,III) Tetraacetate","Inorganic Chemistry","2001","40","","3267","3268","10.1021/ic015519q","","","0.7107","MoKα","","0.0476","0.048","","0.052","","0.052","","","3.316","","","3.32","","","","has coordinates","176467","2020-10-21","18:00:00","" "4319963","11.8389","0.0009","13.3768","0.001","28.5215","0.0021","90","","98.209","0.001","90","","4470.6","0.6","223","2","223","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C48 H38 Cu3 N8 O14 -","- C48 H38 Cu3 N8 O14 -","- C192 H152 Cu12 N32 O56 -","4","0.5","","Jack Y. Lu; Amy M. Babb","The First Triple-Layer 2-D Coordination Polymer: [Cu3(bpen)(IN)6(H2O)2]","Inorganic Chemistry","2001","40","","3261","3262","10.1021/ic015531i","","","0.71073","MoKα","","0.03","0.0264","","","0.0785","0.0817","","","","","","1.035","","","","has coordinates","176467","2020-10-21","18:00:00","" "4319964","9.516","0.001","13.784","0.001","14.022","0.001","91.32","0.01","105.52","0.01","92.47","0.01","1769.4","0.3","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C24 H49 I K N7 O6 P3 -","- C24 H49 I K N7 O6 P3 -","- C48 H98 I2 K2 N14 O12 P6 -","2","1","","Krystyna Brandt; Piotr Seliger; Andrzej Grzejdziak; Tadeusz J. Bartczak; Rafat Kruszynski; Dariusz Lach; Jerzy Silberring","Structure-Property Relationships of a Tetrapyrrolidinyl PNP-Lariat Ether and Its Complexes with Potassium, Sodium, and Silver Cations","Inorganic Chemistry","2001","40","","3704","3710","10.1021/ic000430q","","","1.54178","CuKα","","0.1058","0.0738","","","0.1954","0.2327","","","","","","1.046","","","","has coordinates","179279","2020-10-21","18:00:00","" "4319965","9.251","0.001","9.678","0.001","17.994","0.002","83.73","0.01","75.54","0.01","82.72","0.01","1542.4","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H48 N7 O5 P3 -","- C24 H48 N7 O5 P3 -","- C48 H96 N14 O10 P6 -","2","1","","Krystyna Brandt; Piotr Seliger; Andrzej Grzejdziak; Tadeusz J. Bartczak; Rafat Kruszynski; Dariusz Lach; Jerzy Silberring","Structure-Property Relationships of a Tetrapyrrolidinyl PNP-Lariat Ether and Its Complexes with Potassium, Sodium, and Silver Cations","Inorganic Chemistry","2001","40","","3704","3710","10.1021/ic000430q","","","1.54178","CuKα","","0.2186","0.081","","","0.2306","0.3349","","","","","","1.006","","","","has coordinates","179279","2020-10-21","18:00:00","" "4319966","8.38","0.005","9.252","0.005","13.714","0.008","90","","93.6","0.02","90","","1061.2","1.1","298","","298","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C8 H14 K4 O20 V2 -","- C8 H14 K4 O20 V2 -","- C16 H28 K8 O40 V4 -","2","0.5","","M. Kaliva; T. Giannadaki; A. Salifoglou; C. P. Raptopoulou; A. Terzis; V. Tangoulis","pH-Dependent Investigations of Vanadium(V)-Peroxo-Malate Complexes from Aqueous Solutions. In Search of Biologically Relevant Vanadium(V)-Peroxo Species","Inorganic Chemistry","2001","40","","3711","3718","10.1021/ic000894o","","","0.71073","MoKα","","0.0318","0.0289","","0.0778","0.0753","","","","1.04","1.053","1.053","","","","","has coordinates","179279","2020-10-21","18:00:00","" "4319967","9.158","0.004","9.669","0.004","14.185","0.006","104.81","0.01","90.31","0.01","115.64","0.01","1085","0.8","298","","298","","","","","","","","","5","P -1","-P 1","2","","","","- C8 H28 N4 O19 V2 -","- C8 H21 N4 O19 V2 -","- C16 H42 N8 O38 V4 -","2","1","","M. Kaliva; T. Giannadaki; A. Salifoglou; C. P. Raptopoulou; A. Terzis; V. Tangoulis","pH-Dependent Investigations of Vanadium(V)-Peroxo-Malate Complexes from Aqueous Solutions. In Search of Biologically Relevant Vanadium(V)-Peroxo Species","Inorganic Chemistry","2001","40","","3711","3718","10.1021/ic000894o","","","1.5418","CuKα","","0.0687","0.0498","","0.1756","0.1315","","","","1.068","1.053","1.053","","","","","has coordinates","179279","2020-10-21","18:00:00","" "4319968","9.123","0.008","9.439","0.008","10.64","0.009","90","","104.58","0.03","90","","886.7","1.3","298","","298","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C8 H12 K2 O18 V2 -","- C8 H12 K2 O18 V2 -","- C16 H24 K4 O36 V4 -","2","0.5","","M. Kaliva; T. Giannadaki; A. Salifoglou; C. P. Raptopoulou; A. Terzis; V. Tangoulis","pH-Dependent Investigations of Vanadium(V)-Peroxo-Malate Complexes from Aqueous Solutions. In Search of Biologically Relevant Vanadium(V)-Peroxo Species","Inorganic Chemistry","2001","40","","3711","3718","10.1021/ic000894o","","","0.71073","MoKα","","0.0302","0.028","","0.0768","0.0752","","","","1.096","1.115","1.115","","","","","has coordinates","179279","2020-10-21","18:00:00","" "4319969","9.589","0.004","16.99","0.006","19.844","0.009","90","","90","","90","","3233","2","293","2","293","2","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C32 H40 Cl Li N2 O S Ti -","- C32 H40 Cl Li N2 O S Ti -","- C128 H160 Cl4 Li4 N8 O4 S4 Ti4 -","4","1","","Eva Witt; Douglas W. Stephan","Synthesis and Characterization of Cyclopentadienyl Titanium(Aryloxide)Sulfide Complexes","Inorganic Chemistry","2001","40","","3824","3826","10.1021/ic001139d","","","0.71073","MoKα","","0.1509","0.0645","","0.1731","0.134","","","","0.81","0.905","0.905","","","","","has coordinates","179279","2020-10-21","18:00:00","" "4319970","19.603","0.003","13.37","0.002","21.072","0.003","90","","98.87","0.01","90","","5456.8","1.4","296.2","","","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C45 H54 Br4 Cl2 Cu2 N8 O13 -","- C45 H54 Br4 Cl2 Cu2 N8 O13 -","- C180 H216 Br16 Cl8 Cu8 N32 O52 -","4","1","","Yuki Nakamura; Masami Yonemura; Keisuke Arimura; Naoki Usuki; Masaaki Ohba; Hisashi Ōkawa","Tetranuclear Mixed-Metal MII2CuII2 Complexes Derived from a Phenol-Based Macrocyclic Ligand Having Two N(amine)2O2 and Two N(imine)2O2 Metal-Binding Sites","Inorganic Chemistry","2001","40","","3739","3744","10.1021/ic001162z","","","0.7107","MoKα","","","0.0484","","","","0.0545","","","","","","1.53","","","","has coordinates","176467","2020-10-21","18:00:00","" "4319971","32.514","0.003","12.246","0.003","19.827","0.002","90","","126.082","0.005","90","","6380.1","1.8","296.2","","","","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C23 H26 Br2 Cl5 Co Cu N4 O2.5 -","- C23 H25 Br2 Cl5 Co Cu N4 O2.5 -","- C184 H200 Br16 Cl40 Co8 Cu8 N32 O20 -","8","1","","Yuki Nakamura; Masami Yonemura; Keisuke Arimura; Naoki Usuki; Masaaki Ohba; Hisashi Ōkawa","Tetranuclear Mixed-Metal MII2CuII2 Complexes Derived from a Phenol-Based Macrocyclic Ligand Having Two N(amine)2O2 and Two N(imine)2O2 Metal-Binding Sites","Inorganic Chemistry","2001","40","","3739","3744","10.1021/ic001162z","","","0.7107","MoKα","","","0.058","","","","0.0714","","","","","","1.728","","","","has coordinates","176467","2020-10-21","18:00:00","" "4319972","32.53","0.01","12.242","0.002","19.729","0.009","90","","126.03","0.03","90","","6354","4","296.2","","","","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C23 H26 Br2 Cl5 Cu N4 O2.5 Zn -","- C23 H25 Br2 Cl5 Cu N4 O2.5 Zn -","- C184 H200 Br16 Cl40 Cu8 N32 O20 Zn8 -","8","1","","Yuki Nakamura; Masami Yonemura; Keisuke Arimura; Naoki Usuki; Masaaki Ohba; Hisashi Ōkawa","Tetranuclear Mixed-Metal MII2CuII2 Complexes Derived from a Phenol-Based Macrocyclic Ligand Having Two N(amine)2O2 and Two N(imine)2O2 Metal-Binding Sites","Inorganic Chemistry","2001","40","","3739","3744","10.1021/ic001162z","","","0.7107","MoKα","","","0.0559","","","","0.0734","","","","","","1.764","","","","has coordinates","176467","2020-10-21","18:00:00","" "4319973","7.54","0.003","11.44","0.007","11.757","0.008","90","","106.66","0.05","90","","971.6","1","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H6 Cu2 N16 -","- C16 H6 Cu2 N16 -","- C32 H12 Cu4 N32 -","2","0.5","","Susana Martín; M. Gotzone Barandika; J. Ignacio Ruiz de Larramendi; Roberto Cortés; Mercedes Font-Bardia; Luis Lezama; Zurine E. Serna; Xavier Solans; Teófilo Rojo","Structural Analysis and Magnetic Properties of the 1D and 3D Compounds [Mn(dca)2nbipym] (M = Mn, Cu; dca = Dicyanamide; bipym = Bipyrimidine; n = 1, 2)","Inorganic Chemistry","2001","40","","3687","3692","10.1021/ic001198r","","","0.71069","MoKα","","0.2885","0.031","","","0.0333","0.0778","","","","","","0.659","","","","has coordinates","179279","2020-10-21","18:00:00","" "4319974","9.3285","0.0001","15.2783","0.0003","15.072","0.0002","90","","102.104","0.001","90","","2100.36","0.06","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C16 H28 Cl2 Fe N P S -","- C16 H28 Cl2 Fe N P S -","- C64 H112 Cl8 Fe4 N4 P4 S4 -","4","1","","Luc LePichon; Douglas W. Stephan","Contrasting Formation of a (Phenylthio)phosphinimine and (Phenylthio)phosphazide. Synthesis of Metal Complexes","Inorganic Chemistry","2001","40","","3827","3829","10.1021/ic001303x","","","0.71073","MoKα","","0.0517","0.0478","","","0.1202","0.1225","","","","","","1.167","","","","has coordinates","179279","2020-10-21","18:00:00","" "4319975","21.5918","0.0002","10.6069","0.0001","22.7952","0.0001","90","","106.312","0.001","90","","5010.46","0.07","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C41 H64 Cl2 N6 Ni P2 S2 -","- C41 H64 Cl2 N6 Ni P2 S2 -","- C164 H256 Cl8 N24 Ni4 P8 S8 -","4","1","","Luc LePichon; Douglas W. Stephan","Contrasting Formation of a (Phenylthio)phosphinimine and (Phenylthio)phosphazide. Synthesis of Metal Complexes","Inorganic Chemistry","2001","40","","3827","3829","10.1021/ic001303x","","","0.71073","MoKα","","0.1586","0.0869","","","0.1957","0.2303","","","","","","0.968","","","","has coordinates","179279","2020-10-21","18:00:00","" "4319976","13.917","0.005","21.409","0.007","15.513","0.005","90","","93.821","0.008","90","","4612","3","293","2","293","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C38 H67 Cl2 Fe N6 P2 S2 -","- C38 H67 Cl2 Fe N6 P2 S2 -","- C152 H268 Cl8 Fe4 N24 P8 S8 -","4","1","","Luc LePichon; Douglas W. Stephan","Contrasting Formation of a (Phenylthio)phosphinimine and (Phenylthio)phosphazide. Synthesis of Metal Complexes","Inorganic Chemistry","2001","40","","3827","3829","10.1021/ic001303x","","","0.71073","MoKα","","0.0672","0.0534","","","0.1554","0.1734","","","","","","0.564","","","","has coordinates","179279","2020-10-21","18:00:00","" "4319977","7.0976","0.0013","6.6103","0.0012","12.286","0.002","90","","90.068","0.003","90","","576.43","0.18","295","2","295","2","","","","","","","","4","P 1 2/n 1","-P 2yac","13","","","","- C6 H18 Mo O6 -","- C6 Mo O6 -","- C12 Mo2 O12 -","2","0.5","","Gulaim A. Seisenbaeva; Lars Kloo; Pia Werndrup; Vadim G. Kessler","Electrochemical Synthesis, X-ray Single Crystal, IR Spectroscopic, and Quantum Chemical Investigation of Molybdenum and Tungsten Hexamethoxides","Inorganic Chemistry","2001","40","","3815","3818","10.1021/ic0013173","","","0.71073","MoKα","","0.0318","0.027","","","0.0654","0.0662","","","","","","0.854","","","","has coordinates","179279","2020-10-21","18:00:00","" "4319978","7.1164","0.0019","6.6414","0.0018","12.304","0.003","90","","90.047","0.005","90","","581.5","0.3","295","2","295","2","","","","","","","","4","P 1 2/n 1","-P 2yac","13","","","","- C6 H18 O6 W -","- C6 O6 W -","- C12 O12 W2 -","2","0.5","","Gulaim A. Seisenbaeva; Lars Kloo; Pia Werndrup; Vadim G. Kessler","Electrochemical Synthesis, X-ray Single Crystal, IR Spectroscopic, and Quantum Chemical Investigation of Molybdenum and Tungsten Hexamethoxides","Inorganic Chemistry","2001","40","","3815","3818","10.1021/ic0013173","","","0.71073","MoKα","","0.0438","0.0326","","","0.0691","0.071","","","","","","0.836","","","","has coordinates","179279","2020-10-21","18:00:00","" "4319979","11.8931","0.0005","8.4428","0.0011","9.6761","0.0004","90","","90","","90","","971.59","0.14","180.2","","180.2","","","","","","","","","7","P 21 21 2","P 2 2ab","18","","","","- C10 H16 Co K3 N2 O12 P -","- C10 H16 Co0.5 K2.5 N2 O12 P0.5 -","- C20 H32 Co K5 N4 O24 P -","2","0.5","","Liang Xu; Steven J. Rettig; Chris Orvig","Lanthanide Chemistry with Bis{[bis(carboxymethyl)amino]methyl}phosphinate: What Does an Extra Phosphinate Group Do to EDTA?","Inorganic Chemistry","2001","40","","3734","3738","10.1021/ic0014179","","","0.7107","MoKα","","0.0356","0.019","","0.0399","","0.019","","","0.993","","","0.99","","","","has coordinates","176467","2020-10-21","18:00:00","" "4319980","13.0133","0.0006","17.221","0.0007","24.7634","0.0011","71.73","0.001","82.363","0.001","70.512","0.001","4965.4","0.4","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C84.7 H45.4 B2 Cl1.4 F48 N12 Pb -","- C84.7 H45.4 B2 Cl1.4 F48 N12 Pb -","- C169.4 H90.8 B4 Cl2.8 F96 N24 Pb2 -","2","1","","Daniel L. Reger; Terri D. Wright; Christine A. Little; Jaydeep J. S. Lamba; Mark D. Smith","Control of the Stereochemical Impact of the Lone Pair in Lead(II) Tris(pyrazolyl)methane Complexes. Improved Preparation of Na{B[3,5-(CF3)2C6H3]4}","Inorganic Chemistry","2001","40","","3810","3814","10.1021/ic0100121","","","0.71073","MoKα","","0.0871","0.0611","","","0.1631","0.1755","","","","","","1.038","","","","has coordinates","176467","2020-10-21","18:00:00","" "4319981","12.756","0.004","13.469","0.004","17.16","0.005","82.454","0.007","89.904","0.008","72.995","0.007","2792.9","1.5","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C98 H72 B2 Cl4 F48 N12 Pb -","- C98 H72 B2 Cl4 F48 N12 Pb -","- C98 H72 B2 Cl4 F48 N12 Pb -","1","0.5","","Daniel L. Reger; Terri D. Wright; Christine A. Little; Jaydeep J. S. Lamba; Mark D. Smith","Control of the Stereochemical Impact of the Lone Pair in Lead(II) Tris(pyrazolyl)methane Complexes. Improved Preparation of Na{B[3,5-(CF3)2C6H3]4}","Inorganic Chemistry","2001","40","","3810","3814","10.1021/ic0100121","","","0.71073","MoKα","","0.1401","0.0661","","","0.1495","0.1699","","","","","","1.013","","","","has coordinates","179279","2020-10-21","18:00:00","" "4319982","25.454","0.005","4.4421","0.0009","10.273","0.002","90","","90","","90","","1161.6","0.4","293","2","293","2","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- Ba8 Ga16 Sb16 -","- Ba8 Ga16 Sb16 -","- Ba8 Ga16 Sb16 -","1","0.125","","Sung-Jin Kim; Mercouri G. Kanatzidis","A Unique Framework in BaGa2Sb2: A New Zintl Phase with Large Tunnels","Inorganic Chemistry","2001","40","","3781","3785","10.1021/ic010069n","","","0.71073","MoKα","","0.0353","0.0287","","","0.071","0.0745","","","","","","0.95","","","","has coordinates","179279","2020-10-21","18:00:00","" "4319983","14.374","0.003","14.486","0.003","15.152","0.003","73.94","0.02","80.29","0.02","72.75","0.02","2882.5","1.1","293","","","","","","","","","","","7","P -1","-P 1","2","","","","- C37 H82 N6 Na O25 S3 V6 -","- C37 H69 N6 Na0.5 O25 S3 V6 -","- C74 H138 N12 Na O50 S6 V12 -","2","1","","Yihui Chen; Qiutian Liu; Yuheng Deng; Hongping Zhu; Changneng Chen; Hongjun Fan; Daizheng Liao; Enqing Gao","Vanadium, Molybdenum, and Sodium Triethanolamine Complexes Derived from an Assembly System Containing Tetrathiometalate and Triethanolamine","Inorganic Chemistry","2001","40","","3725","3733","10.1021/ic010126c","","","0.71073","MoKα","","","0.0487","","","0.0691","","","","","1.57","1.57","","","","","has coordinates","289268","2024-02-02","08:58:43","" "4319984","22.507","0.005","7.283","0.003","16.465","0.003","90","","119.96","0.02","90","","2338.3","1.3","293","","","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C12 H30 N2 Na2 O6 S6 -","- C12 H30 N2 Na2 O6 S6 -","- C48 H120 N8 Na8 O24 S24 -","4","0.5","","Yihui Chen; Qiutian Liu; Yuheng Deng; Hongping Zhu; Changneng Chen; Hongjun Fan; Daizheng Liao; Enqing Gao","Vanadium, Molybdenum, and Sodium Triethanolamine Complexes Derived from an Assembly System Containing Tetrathiometalate and Triethanolamine","Inorganic Chemistry","2001","40","","3725","3733","10.1021/ic010126c","","","0.71073","MoKα","","","0.0368","","","0.0425","","","","","1.13","1.13","","","","","has coordinates","176467","2020-10-21","18:00:00","" "4319985","9.098","0.008","9.715","0.008","14.909","0.005","106.54","0.05","90.11","0.06","94.76","0.06","1258.4","1.6","293","","","","","","","","","","","7","P -1","-P 1","2","","","","- C30 H78 Mo2 N4 Na2 O8 S8 -","- C30 H78 Mo2 N4 Na2 O8 S8 -","- C30 H78 Mo2 N4 Na2 O8 S8 -","1","0.5","","Yihui Chen; Qiutian Liu; Yuheng Deng; Hongping Zhu; Changneng Chen; Hongjun Fan; Daizheng Liao; Enqing Gao","Vanadium, Molybdenum, and Sodium Triethanolamine Complexes Derived from an Assembly System Containing Tetrathiometalate and Triethanolamine","Inorganic Chemistry","2001","40","","3725","3733","10.1021/ic010126c","","","0.71069","MoKα","","","0.0386","","","0.0696","","","","","1.79","1.79","","","","","has coordinates","176467","2020-10-21","18:00:00","" "4319986","12.2478","0.0002","9.0636","0.0002","41.9264","0.0002","90","","90","","90","","4654.21","0.13","155","2","155","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","[Co(SC6F5)(TC-3,3)]","","","- C26 H22 Co F5 N4 S -","- C26 H22 Co F5 N4 S -","- C208 H176 Co8 F40 N32 S8 -","8","1","","Katherine J. Franz; Linda H. Doerrer; Bernhard Spingler; Stephen J. Lippard","Pentacoordinate Cobalt(III) Thiolate and Nitrosyl Tropocoronand Compounds","Inorganic Chemistry","2001","40","","3774","3780","10.1021/ic010181l","","","0.71073","MoKα","","0.103","0.0637","","","0.11","0.1249","","","","","","1.135","","","","has coordinates","179279","2020-10-21","18:00:00","" "4319987","9.532","0.005","13.29","0.005","13.449","0.005","71.055","0.005","89.469","0.005","77.928","0.005","1572.6","1.2","193","2","193","2","","","","","","","","6","P -1","-P 1","2","[Co((SC6F5)(TC-4,4)]","","","- C35 H34 Co F5 N4 S -","- C35 H26 Co F5 N4 S -","- C70 H52 Co2 F10 N8 S2 -","2","1","","Katherine J. Franz; Linda H. Doerrer; Bernhard Spingler; Stephen J. Lippard","Pentacoordinate Cobalt(III) Thiolate and Nitrosyl Tropocoronand Compounds","Inorganic Chemistry","2001","40","","3774","3780","10.1021/ic010181l","","","0.71069","MoKα","","0.1241","0.0714","","","0.1941","0.2042","","","","","","1.07","","","","has coordinates,has disorder","179279","2020-10-21","18:00:00","" "4319988","16.1983","0.0008","12.2557","0.0007","8.8952","0.0005","90","","90","","90","","1765.89","0.17","188","2","188","2","","","","","","","","5","C m c 21","C 2c -2","36","[Co(NO)(TC-3,3)]","","","- C20 H22 Co N5 O -","- C20 H22 Co N5 O -","- C80 H88 Co4 N20 O4 -","4","0.5","","Katherine J. Franz; Linda H. Doerrer; Bernhard Spingler; Stephen J. Lippard","Pentacoordinate Cobalt(III) Thiolate and Nitrosyl Tropocoronand Compounds","Inorganic Chemistry","2001","40","","3774","3780","10.1021/ic010181l","","","0.71073","MoKα","","0.0444","0.0357","","","0.0746","0.0791","","","","","","0.979","","","","has coordinates","179279","2020-10-21","18:00:00","" "4319989","12.7912","0.0012","16.1375","0.0016","9.8617","0.001","90","","104.077","0.002","90","","1974.5","0.3","155","2","155","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","[Co(NO)(TC-4,4)]","","","- C22 H26 Co N5 O -","- C22 H26 Co N5 O -","- C88 H104 Co4 N20 O4 -","4","1","","Katherine J. Franz; Linda H. Doerrer; Bernhard Spingler; Stephen J. Lippard","Pentacoordinate Cobalt(III) Thiolate and Nitrosyl Tropocoronand Compounds","Inorganic Chemistry","2001","40","","3774","3780","10.1021/ic010181l","","","0.71073","MoKα","","0.2093","0.0863","","","0.1637","0.2318","","","","","","1.013","","","","has coordinates","179279","2020-10-21","18:00:00","" "4319990","9.0656","0.0005","8.6584","0.0005","20.9345","0.0011","90","","97.306","0.001","90","","1629.88","0.16","90","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C26 H20 Cu2 N4 O16 P4 V2 -","- C26 H20 Cu2 N4 O16 P4 V2 -","- C52 H40 Cu4 N8 O32 P8 V4 -","2","0.5","","Robert C. Finn; Robert Lam; John E. Greedan; Jon Zubieta","Solid-State Coordination Chemistry: Structural Influences of Copper-Phenanthroline Subunits on Oxovanadium Organophosphonate Phases. Hydrothermal Synthesis and Structural Characterization of the Two-Dimensional Materials [Cu(phen)(VO)(O3PCH2PO3)(H2O)], [{Cu(phen)}2(V2O5)(O3PCH2CH2PO3)], and [{Cu(phen)}2(V3O5)(O3PCH2CH2CH2PO3)2(H2O)] and of the Three-Dimensional Phase [{Cu(phen)}2(V3O5)(O3PCH2PO3)2(H2O)]","Inorganic Chemistry","2001","40","","3745","3754","10.1021/ic010186i","","","0.71073","MoKα","","0.0587","0.0399","","","0.0994","0.1147","","","","","","1.138","","","","has coordinates","179279","2020-10-21","18:00:00","" "4319991","10.6096","0.0005","11.6951","0.0005","13.1796","0.0006","71.369","0.001","70.79","0.001","80.738","0.001","1460.49","0.11","90","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C26 H20 Cu2 N4 O11 P2 V2 -","- C26 H20 Cu2 N4 O11 P2 V2 -","- C52 H40 Cu4 N8 O22 P4 V4 -","2","1","","Robert C. Finn; Robert Lam; John E. Greedan; Jon Zubieta","Solid-State Coordination Chemistry: Structural Influences of Copper-Phenanthroline Subunits on Oxovanadium Organophosphonate Phases. Hydrothermal Synthesis and Structural Characterization of the Two-Dimensional Materials [Cu(phen)(VO)(O3PCH2PO3)(H2O)], [{Cu(phen)}2(V2O5)(O3PCH2CH2PO3)], and [{Cu(phen)}2(V3O5)(O3PCH2CH2CH2PO3)2(H2O)] and of the Three-Dimensional Phase [{Cu(phen)}2(V3O5)(O3PCH2PO3)2(H2O)]","Inorganic Chemistry","2001","40","","3745","3754","10.1021/ic010186i","","","0.71073","MoKα","","0.0462","0.04","","","0.1088","0.1127","","","","","","1.029","","","","has coordinates","179279","2020-10-21","18:00:00","" "4319992","9.4356","0.0006","10.6556","0.0006","11.0354","0.0007","118.187","0.001","91.416","0.001","107.821","0.001","911.88","0.1","90","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C15 H14 Cu N2 O9 P2 V1.5 -","- C15 H14 Cu N2 O9 P2 V1.5 -","- C30 H28 Cu2 N4 O18 P4 V3 -","2","1","","Robert C. Finn; Robert Lam; John E. Greedan; Jon Zubieta","Solid-State Coordination Chemistry: Structural Influences of Copper-Phenanthroline Subunits on Oxovanadium Organophosphonate Phases. Hydrothermal Synthesis and Structural Characterization of the Two-Dimensional Materials [Cu(phen)(VO)(O3PCH2PO3)(H2O)], [{Cu(phen)}2(V2O5)(O3PCH2CH2PO3)], and [{Cu(phen)}2(V3O5)(O3PCH2CH2CH2PO3)2(H2O)] and of the Three-Dimensional Phase [{Cu(phen)}2(V3O5)(O3PCH2PO3)2(H2O)]","Inorganic Chemistry","2001","40","","3745","3754","10.1021/ic010186i","","","0.71073","MoKα","","0.0457","0.0396","","","0.1107","0.1146","","","","","","1.063","","","","has coordinates","176467","2020-10-21","18:00:00","" "4319993","8.3947","0.0003","16.8401","0.0007","11.9144","0.0005","90","","93.903","0.001","90","","1680.4","0.12","90","2","293","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C13 H10 Cu N2 O9 P2 V1.5 -","- C13 H10 Cu N2 O9 P2 V1.5 -","- C52 H40 Cu4 N8 O36 P8 V6 -","4","1","","Robert C. Finn; Robert Lam; John E. Greedan; Jon Zubieta","Solid-State Coordination Chemistry: Structural Influences of Copper-Phenanthroline Subunits on Oxovanadium Organophosphonate Phases. Hydrothermal Synthesis and Structural Characterization of the Two-Dimensional Materials [Cu(phen)(VO)(O3PCH2PO3)(H2O)], [{Cu(phen)}2(V2O5)(O3PCH2CH2PO3)], and [{Cu(phen)}2(V3O5)(O3PCH2CH2CH2PO3)2(H2O)] and of the Three-Dimensional Phase [{Cu(phen)}2(V3O5)(O3PCH2PO3)2(H2O)]","Inorganic Chemistry","2001","40","","3745","3754","10.1021/ic010186i","","","0.71073","MoKα","","0.0377","0.0318","","","0.0805","0.083","","","","","","1.046","","","","has coordinates","176467","2020-10-21","18:00:00","" "4319994","13.2324","0.0002","15.6369","0.0003","18.2546","0.0003","110.77","0.008","97.7882","0.0011","97.772","0.009","3429.9","0.3","200","0.1","200","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C86 H42 Cl2 Gd N22 -","- C86 H42 Cl2 Gd N22 -","- C172 H84 Cl4 Gd2 N44 -","2","1","","Durrell K. Rittenberg; Ken-ichi Sugiura; Yoshiteru Sakata; Atta M. Arif; Joel S. Miller","Bis(phthalocyaninato)gadolinium(III) Hexacyanobutadienide(1-), [GdPc2]+[C4(CN)6]-. An Electron Transfer Salt with Four Paramagnetic Sites","Inorganic Chemistry","2001","40","","3654","3655","10.1021/ic010187a","","","0.7107","MoKα","","0.035","0.0285","","","0.0883","0.126","","","","","","1.21","","","","has coordinates","179279","2020-10-21","18:00:00","" "4319995","11.2709","0.0007","16.7712","0.001","22.9421","0.0014","90","","99.268","0.001","90","","4280.1","0.5","110","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","bis(m-1,8-naphthalenediyl)bis-(chloroindium(III)) tetrakis(pyridine)","","- C50 H42 Cl2 In2 N6 -","- C50 H42 Cl2 In2 N6 -","- C200 H168 Cl8 In8 N24 -","4","0.5","","James D. Hoefelmeyer; Marcus Schulte; François P. Gabbaï","Synthesis of a Diindacycle by Transmetalation of 1,8-Bis(trimethylstannyl)naphthalene with InCl3","Inorganic Chemistry","2001","40","","3833","3834","10.1021/ic0102642","","","0.71073","MoKα","","0.0352","0.0337","","","0.0916","0.0927","","","","","","1.084","","","","has coordinates,has disorder","179279","2020-10-21","18:00:00","" "4319996","15.744","0.001","26.526","0.002","16.917","0.001","90","","113.229","0.002","90","","6492.3","0.8","153","","153","","","","","","","","by syntheses","6","P 1 21/n 1","-P 2yn","14","","","","- C102 H190 Cl2 Mg4 O32 Si14 -","- C94 H174 Cl2 Mg4 O30 Si14 -","- C188 H348 Cl4 Mg8 O60 Si28 -","2","0.5","","R. W. J. M. Hanssen; A. Meetsma; R. A. van Santen; H. C. L. Abbenhuis","Synthesis, Structural Characterization, and Transmetalation Reactions of a Tetranuclear Magnesium Silsesquioxane Complex","Inorganic Chemistry","2001","40","","4049","4052","10.1021/ic0004131","","","0.71073","MoKα","","0.1194","0.0628","","","0.1502","0.1732","","","","","","0.96","","","","has coordinates","179279","2020-10-21","18:00:00","" "4319997","7.596","0.003","11.309","0.003","10.77","0.002","90","","92.51","0.02","90","","924.3","0.5","293","2","293","2","","","","","","","","5","P 1 2/n 1","-P 2yac","13","","","","- C18 H20 Co N2 O8 -","- C18 H20 Co N2 O8 -","- C36 H40 Co2 N4 O16 -","2","0.5","","Eringathodi Suresh; Kamla Boopalan; Raksh Vir Jasra; Mohan Madhav Bhadbhade","Synthesis and Single Crystal Investigation of Two-Dimensional Rectangular Network [M(4,4'-bpy) (Phth)(H2O)]n.2H2O with Small Neutral Cavities","Inorganic Chemistry","2001","40","","4078","4080","10.1021/ic000434v","","","0.7093","MoKα","","0.0706","0.0541","","","0.1383","0.1477","","","","","","0.998","","","","has coordinates","179279","2020-10-21","18:00:00","" "4319998","7.79","0.004","11.647","0.002","10.699","0.001","90","","92.59","0.02","90","","969.7","0.5","293","2","293","2","","","","","","","","5","P 1 2/n 1","-P 2yac","13","","","","- C18 H20 Cd N2 O8 -","- C18 H20 Cd N2 O8 -","- C36 H40 Cd2 N4 O16 -","2","0.5","","Eringathodi Suresh; Kamla Boopalan; Raksh Vir Jasra; Mohan Madhav Bhadbhade","Synthesis and Single Crystal Investigation of Two-Dimensional Rectangular Network [M(4,4'-bpy) (Phth)(H2O)]n.2H2O with Small Neutral Cavities","Inorganic Chemistry","2001","40","","4078","4080","10.1021/ic000434v","","","0.7093","MoKα","","0.0282","0.0271","","","0.0708","0.0714","","","","","","1.1","","","","has coordinates","179279","2020-10-21","18:00:00","" "4319999","13.984","0.003","15.277","0.002","13.508","0.002","94.233","0.017","118.267","0.013","93.462","0.018","2519.7","0.8","294","2","294","2","","","","","","","","8","P -1","-P 1","2","","","","- C43 H35 Cl10 N2 O6 P Ru S2 -","- C43 H35 Cl10 N2 O6 P Ru S2 -","- C86 H70 Cl20 N4 O12 P2 Ru2 S4 -","2","1","","Francesc Teixidor; Pilar Anglès; Clara Viñas; Raikko Kivekäs; Reijo Sillanpää","Comparative Study of NS~2~(S-aryl) Pyridine-Based Dithia-Containing Ligands with Different Substituent Groups. Reactivity toward Cu(II) and Ru(II)","Inorganic Chemistry","2001","40","","4010","4015","10.1021/ic000903t","","","0.71069","MoKα","","0.2682","0.0816","","","0.1697","0.2295","","","","","","1.013","","","","has coordinates","179279","2020-10-21","18:00:00","" "4320000","12.072","0.003","25.292","0.005","7.377","0.005","90","","90","","90","","2252.4","1.7","294","2","294","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C23 H20 N2 O6 S2 -","- C23 H20 N2 O6 S2 -","- C92 H80 N8 O24 S8 -","4","1","","Francesc Teixidor; Pilar Anglès; Clara Viñas; Raikko Kivekäs; Reijo Sillanpää","Comparative Study of NS~2~(S-aryl) Pyridine-Based Dithia-Containing Ligands with Different Substituent Groups. Reactivity toward Cu(II) and Ru(II)","Inorganic Chemistry","2001","40","","4010","4015","10.1021/ic000903t","","","0.71069","MoKα","","0.0641","0.037","","","0.0796","0.0881","","","","","","1.021","","","","has coordinates","179303","2020-10-21","18:00:00","" "4320001","11.1627","0.0002","13.198","0.0001","14.043","0.0003","76.872","0.001","86.367","0.001","78.306","0.001","1972.67","0.06","183","2","183","2","","","","","","","","5","P -1","-P 1","2","","","","- C40 H59 Mo N5 O -","- C40 H59 Mo N5 O -","- C80 H118 Mo2 N10 O2 -","2","1","","George E. Greco; Richard R. Schrock","Synthesis, Structure, and Electrochemical Studies of Molybdenum and Tungsten Dinitrogen, Diazenido, and Hydrazido Complexes That Contain Aryl-Substituted Triamidoamine Ligands","Inorganic Chemistry","2001","40","","3861","3878","10.1021/ic001123n","","","0.71073","MoKα","","0.0669","0.0615","","","0.1302","0.133","","","","","","1.228","","","","has coordinates,has disorder","179303","2020-10-21","18:00:00","" "4320002","13.3659","0.0015","13.3659","0.0015","93.012","0.013","90","","90","","120","","14390","3","293","2","293","2","","","","","","","","6","R -3 c :H","-R 3 2""c","167","","","","- C96 H102 Mo2 N12 Na2 O10.61 -","- C96 H102 Mo2 N12 Na2 O10.61 -","- C576 H612 Mo12 N72 Na12 O63.66 -","6","0.166667","","George E. Greco; Richard R. Schrock","Synthesis, Structure, and Electrochemical Studies of Molybdenum and Tungsten Dinitrogen, Diazenido, and Hydrazido Complexes That Contain Aryl-Substituted Triamidoamine Ligands","Inorganic Chemistry","2001","40","","3861","3878","10.1021/ic001123n","","","0.71073","MoKα","","0.0856","0.0544","","","0.1314","0.1471","","","","","","1.057","","","","has coordinates,has disorder","179303","2020-10-21","18:00:00","" "4320003","17.1059","0.0007","17.1059","0.0007","16.8153","0.001","90","","90","","90","","4920.4","0.4","293","2","293","2","","","","","","","","6","P 43","P 4cw","78","","","","- C46 H71 Mo N6 Na O5 -","- C46 H71 Mo N6 Na O5 -","- C184 H284 Mo4 N24 Na4 O20 -","4","1","","George E. Greco; Richard R. Schrock","Synthesis, Structure, and Electrochemical Studies of Molybdenum and Tungsten Dinitrogen, Diazenido, and Hydrazido Complexes That Contain Aryl-Substituted Triamidoamine Ligands","Inorganic Chemistry","2001","40","","3861","3878","10.1021/ic001123n","","","0.71073","MoKα","","0.0602","0.0398","","","0.0807","0.0858","","","","","","0.937","","","","has coordinates","179303","2020-10-21","18:00:00","" "4320004","25.316","0.004","16.114","0.002","33.761","0.005","90","","99.927","0.003","90","","13566","3","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C150 H132 Mg Mo2 N12 O6 -","- C150 H132 Mg Mo2 N12 O6 -","- C600 H528 Mg4 Mo8 N48 O24 -","4","1","","George E. Greco; Richard R. Schrock","Synthesis, Structure, and Electrochemical Studies of Molybdenum and Tungsten Dinitrogen, Diazenido, and Hydrazido Complexes That Contain Aryl-Substituted Triamidoamine Ligands","Inorganic Chemistry","2001","40","","3861","3878","10.1021/ic001123n","","","0.71073","MoKα","","0.1602","0.0981","","","0.2167","0.2489","","","","","","1.102","","","","has coordinates","179303","2020-10-21","18:00:00","" "4320005","10.7075","0.0002","15.1073","0.0004","23.9746","0.0008","90","","90","","90","","3878.17","0.18","296","2","296","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C60 H100 Mo4 N4 O3 S13 -","- C60 H100 Mo4 N4 O3 S13 -","- C120 H200 Mo8 N8 O6 S26 -","2","0.5","","Rémi Dessapt; Corine Simonnet-Jégat; Jérôme Marrot; Francis Sécheresse","Addition of Diphenylacetylene to [Mo(O~2~)(S~2~)]^2-^ in NH~3~-CH~3~OH Medium","Inorganic Chemistry","2001","40","","4072","4074","10.1021/ic001150d","","","0.71073","MoKα","","0.1835","0.0849","","","0.1473","0.1824","","","","","","1.021","","","","has coordinates","179303","2020-10-21","18:00:00","" "4320006","10.66","0.005","14.99","0.004","18.662","0.003","90","","90","","90","","2982.1","1.7","298","2","297","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C33 H25 Cl N5 O5 Os -","- C33 H25 Cl N5 O5 Os -","- C132 H100 Cl4 N20 O20 Os4 -","4","1","","Anindya Das; Falguni Basuli; Larry R. Falvello; Samaresh Bhattacharya","Unusual Transformation of N-Arylbenzohydroxamic Acids Mediated by Osmium. Formation of Organometallic Complexes of Osmium(III)","Inorganic Chemistry","2001","40","","4085","4088","10.1021/ic0012569","","","0.71073","MoKα","","0.0922","0.0558","","","0.1253","0.1426","","","","","","1.032","","","","has coordinates","179303","2020-10-21","18:00:00","" "4320007","15.4831","0.0004","30.1771","0.0007","16.2334","0.0004","90","","97.208","0.001","90","","7524.9","0.3","173","","173","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C132 H124 Cl8 Fe4 N30 O43 -","- C132 H91 Cl8 Fe4 N30 O43 -","- C264 H182 Cl16 Fe8 N60 O86 -","2","1","","Pramatha Payra; Shao-Ching Hung; Wai Him Kwok; Dean Johnston; Judith Gallucci; Michael K. Chan","Structural, Magnetic and Catalytic Properties of a Self-Recognized μ-Oxo-Bridged Diiron(III) Bis(benzimidazole) Complex","Inorganic Chemistry","2001","40","","4036","4039","10.1021/ic0013781","","","0.71073","MoKα","","0.1056","0.0819","","0.2413","0.2214","","","","1.065","1.105","1.105","","","","","has coordinates","179303","2020-10-21","18:00:00","" "4320008","6.203","0.0005","10.2329","0.0008","12.2885","0.0009","90","","90","","90","","780.01","0.1","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C4 H12 Cl2 N2 -","- C4 H12 Cl2 N2 -","- C16 H48 Cl8 N8 -","4","1","","Aibing Xia; Paul R. Sharp","Platinum(II) Hydrazido Complexes","Inorganic Chemistry","2001","40","","4016","4021","10.1021/ic001432d","","","0.71073","MoKα","","0.0583","0.0472","","","0.1186","0.1249","","","","","","1.078","","","","has coordinates","201982","2020-10-21","18:00:00","" "4320009","18.6901","0.0011","18.886","0.001","17.1695","0.001","90","","92.111","0.001","90","","6056.4","0.6","173","2","173","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C58 H62 B2 Cl2 F8 N2 P4 Pt2 -","- C58 H62 B2 Cl2 F8 N2 P4 Pt2 -","- C232 H248 B8 Cl8 F32 N8 P16 Pt8 -","4","0.5","","Aibing Xia; Paul R. Sharp","Platinum(II) Hydrazido Complexes","Inorganic Chemistry","2001","40","","4016","4021","10.1021/ic001432d","","","0.7107","MoKα","","0.0644","0.0393","","","0.0929","0.101","","","","","","1.025","","","","has coordinates,has disorder","179303","2020-10-21","18:00:00","" "4320010","12.91","0.003","13.927","0.003","17.587","0.003","87.121","0.003","89.997","0.004","84.728","0.003","3144.7","1.1","173","2","173","2","","","","","","","","9","P -1","-P 1","2","","","","- C59 H62 Cl2 F6 N2 O7 P4 Pt2 S2 -","- C59 H62 Cl2 F6 N2 O7 P4 Pt2 S2 -","- C118 H124 Cl4 F12 N4 O14 P8 Pt4 S4 -","2","1","","Aibing Xia; Paul R. Sharp","Platinum(II) Hydrazido Complexes","Inorganic Chemistry","2001","40","","4016","4021","10.1021/ic001432d","","","0.71073","MoKα","","0.061","0.053","","","0.1399","0.145","","","","","","1.056","","","","has coordinates","179303","2020-10-21","18:00:00","" "4320011","20.99","0.002","13.0979","0.0012","25.773","0.002","90","","112.944","0.002","90","","6525.1","1","173","2","173","2","","","","","","","","9","P 1 21/n 1","-P 2yn","14","","","","- C63 H60 Cl2.5 F6 N2 O7 P4 Pt2 S2 -","- C63 H60 Cl2.5 F6 N2 O7 P4 Pt2 S2 -","- C252 H240 Cl10 F24 N8 O28 P16 Pt8 S8 -","4","1","","Aibing Xia; Paul R. Sharp","Platinum(II) Hydrazido Complexes","Inorganic Chemistry","2001","40","","4016","4021","10.1021/ic001432d","","","0.71073","MoKα","","0.0882","0.0504","","","0.116","0.131","","","","","","0.955","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00","" "4320012","30.5077","0.0012","15.2031","0.0006","19.0487","0.0008","90","","118.505","0.001","90","","7764","0.5","173","2","173","2","","","","","","","","9","C 1 2/m 1","-C 2y","12","","","","- C77 H91 B2 Cl2 F8 N4 O3 P4 Pt2 -","- C77 H90 B2 Cl2 F8 N4 O3 P4 Pt2 -","- C308 H360 B8 Cl8 F32 N16 O12 P16 Pt8 -","4","0.5","","Aibing Xia; Paul R. Sharp","Platinum(II) Hydrazido Complexes","Inorganic Chemistry","2001","40","","4016","4021","10.1021/ic001432d","","","0.71073","MoKα","","0.0869","0.0482","","","0.1025","0.1146","","","","","","0.983","","","","has coordinates","179303","2020-10-21","18:00:00","" "4320013","7.0914","0.0005","10.5909","0.0007","8.8357","0.0006","90","","90.4","0.001","90","","663.58","0.08","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C3 H10 Cl2 N2 -","- C3 H10 Cl2 N2 -","- C12 H40 Cl8 N8 -","4","1","","Aibing Xia; Paul R. Sharp","Platinum(II) Hydrazido Complexes","Inorganic Chemistry","2001","40","","4016","4021","10.1021/ic001432d","","","0.71073","MoKα","","0.0275","0.0259","","","0.0713","0.0721","","","","","","1.092","","","","has coordinates","201982","2020-10-21","18:00:00","" "4320014","10.016","0.0008","18.9271","0.0012","17.1938","0.0016","90","","92.964","0.01","90","","3255.1","0.5","223","2","223","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C28 H54 N2 Ni O4 -","- C28 H54 N2 Ni O4 -","- C112 H216 N8 Ni4 O16 -","4","1","","Franzpeter Emmenegger; Carl Wilhelm Schlaepfer; Helen Stoeckli-Evans; Michel Piccand; Henryk Piekarski","Chelate Effect in the Gas Phase. The Complexes of Ni(2,2,6,6-tetramethyl-3,5-heptanedionate)2 with Bidentate Ligands","Inorganic Chemistry","2001","40","","3884","3888","10.1021/ic0014540","","","0.71073","MoKα","","0.0619","0.0482","","","0.1352","0.143","","","","","","1.045","","","","has coordinates","179303","2020-10-21","18:00:00","" "4320015","10.0972","0.0006","19.0013","0.0015","17.251","0.0011","90","","91.38","0.007","90","","3308.8","0.4","223","2","223","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C29 H56 N2 Ni O4 -","- C29 H56 N2 Ni O4 -","- C116 H224 N8 Ni4 O16 -","4","1","","Franzpeter Emmenegger; Carl Wilhelm Schlaepfer; Helen Stoeckli-Evans; Michel Piccand; Henryk Piekarski","Chelate Effect in the Gas Phase. The Complexes of Ni(2,2,6,6-tetramethyl-3,5-heptanedionate)2 with Bidentate Ligands","Inorganic Chemistry","2001","40","","3884","3888","10.1021/ic0014540","","","0.71073","MoKα","","0.0903","0.046","","","0.1049","0.1161","","","","","","0.851","","","","has coordinates,has disorder","179303","2020-10-21","18:00:00","" "4320016","13.6258","0.0011","12.0792","0.0013","19.4396","0.0016","90","","103.96","0.009","90","","3105","0.5","223","2","223","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C27 H51 N Ni O5 -","- C27 H51 N Ni O5 -","- C108 H204 N4 Ni4 O20 -","4","1","","Franzpeter Emmenegger; Carl Wilhelm Schlaepfer; Helen Stoeckli-Evans; Michel Piccand; Henryk Piekarski","Chelate Effect in the Gas Phase. The Complexes of Ni(2,2,6,6-tetramethyl-3,5-heptanedionate)2 with Bidentate Ligands","Inorganic Chemistry","2001","40","","3884","3888","10.1021/ic0014540","","","0.71073","MoKα","","0.057","0.0433","","","0.1237","0.1295","","","","","","1.042","","","","has coordinates","179303","2020-10-21","18:00:00","" "4320017","28.172","0.002","28.172","0.002","12.59","0.002","90","","90","","120","","8653.5","1.6","296","","296","","","","","","","","","6","R -3 :H","-R 3","148","","Dibromo(4-pyrimidinylnitronylnitroxide)copper(II)","","- C11 H15.6 Br2 Cu N4 O2.3 -","- C11 H15 Br2 Cu N4 O2.3 -","- C198 H270 Br36 Cu18 N72 O41.4 -","18","1","","Junichi Omata; Takayuki Ishida; Daisuke Hashizume; Fujiko Iwasaki; Takashi Nogami","Radical-Copper Wheels: Structure and Magnetism of Hexanuclear Hybrid Arrays","Inorganic Chemistry","2001","40","","3954","3958","10.1021/ic001462g","","","0.71073","MoKα","","0.2323","0.0576","","","0.1024","0.1319","","","","","","0.716","","","","has coordinates","179303","2020-10-21","18:00:00","" "4320018","5.819","0.0012","21.66","0.004","13.289","0.003","90","","100.1","0.03","90","","1649","0.6","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C32 H42 F2 N6 O10 Zn -","- C32 H34 F2 N6 O10 Zn -","- C64 H68 F4 N12 O20 Zn2 -","2","0.5","","Zhen-Feng Chen; Ren-Gen Xiong; Jing Zhang; Xue-Tai Chen; Zi-Ling Xue; Xiao-Zeng You","2D Molecular Square Grid with Strong Blue Fluorescent Emission: A Complex of Norfloxacin with Zinc(II)","Inorganic Chemistry","2001","40","","4075","4077","10.1021/ic001470x","","","0.71073","MoKα","","0.1119","0.0456","","","0.1221","0.1551","","","","","","0.972","","","","has coordinates","179303","2020-10-21","18:00:00","" "4320019","8.98","0.0018","9.014","0.0018","12.726","0.003","69.37","0.03","72.05","0.03","68.87","0.03","879.7","0.4","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C32 H40 F2 N8 O14 Zn -","- C32 H40 F2 N8 O14 Zn -","- C32 H40 F2 N8 O14 Zn -","1","0.5","","Zhen-Feng Chen; Ren-Gen Xiong; Jing Zhang; Xue-Tai Chen; Zi-Ling Xue; Xiao-Zeng You","2D Molecular Square Grid with Strong Blue Fluorescent Emission: A Complex of Norfloxacin with Zinc(II)","Inorganic Chemistry","2001","40","","4075","4077","10.1021/ic001470x","","","0.71073","MoKα","","0.0849","0.0578","","","0.1734","0.1871","","","","","","1.436","","","","has coordinates","179303","2020-10-21","18:00:00","" "4320020","8.4618","0.0005","9.6086","0.0003","9.6381","0.0007","83.661","0.004","86.642","0.005","65.821","0.004","710.44","0.07","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C28 H20 Fe N18 -","- C28 H20 Fe N18 -","- C28 H20 Fe N18 -","1","0.5","","Nicolás Moliner; Ana B. Gaspar; M. Carmen Muñoz; Virginie Niel; Joan Cano; José Antonio Real","Light- and Thermal-Induced Spin Crossover in {Fe(abpt)2[N(CN)2]2}. Synthesis, Structure, Magnetic Properties, and High-Spin \λeftarrow→Low-Spin Relaxation Studies","Inorganic Chemistry","2001","40","","3986","3991","10.1021/ic0100976","","","0.71073","MoKα","","0.0396","0.034","","0.0975","0.0904","","","","1.073","1.099","1.099","","","","","has coordinates","179303","2020-10-21","18:00:00","" "4320021","35.322","0.002","35.523","0.002","9.5404","0.0006","90","","90","","90","","11970.8","1.2","293","2","293","2","","","","","","","","7","F d d 2","F 2 -2d","43","","[Tris(tert-butyl-thioimidazolyl)borato-zinc-chloride]","","- C23 H37 B Cl N7 S3 Zn -","- C22 H34 B Cl N6.5 S3 Zn -","- C352 H544 B16 Cl16 N104 S48 Zn16 -","16","1","","Markus Tesmer; Mouhai Shu; Heinrich Vahrenkamp","Sulfur-Rich Zinc Chemistry: New Tris(thioimidazolyl)hydroborate Ligands and Their Zinc Complex Chemistry Related to the Structure and Function of Alcohol Dehydrogenase","Inorganic Chemistry","2001","40","","4022","4029","10.1021/ic0101275","","","0.71073","MoKα","","0.0504","0.0368","","","0.1008","0.1474","","","","","","1.046","","","","has coordinates","179303","2020-10-21","18:00:00","" "4320022","11.5153","0.0016","11.5153","0.0016","37.362","0.008","90","","90","","120","","4290.5","1.2","293","2","293","2","","","","","","","","7","R 3 c :H","R 3 -2""c","161","[Tris(tert-butyl-thioimidazolyl)borato-zinc-fluoride]","","","- C21 H34 B F N6 S3 Zn -","- C21 H34 B F N6 S3 Zn -","- C126 H204 B6 F6 N36 S18 Zn6 -","6","0.333333","","Markus Tesmer; Mouhai Shu; Heinrich Vahrenkamp","Sulfur-Rich Zinc Chemistry: New Tris(thioimidazolyl)hydroborate Ligands and Their Zinc Complex Chemistry Related to the Structure and Function of Alcohol Dehydrogenase","Inorganic Chemistry","2001","40","","4022","4029","10.1021/ic0101275","","","0.71073","MoKα","","0.2129","0.1453","","","0.3321","0.3812","","","","","","1.006","","","","has coordinates","179303","2020-10-21","18:00:00","" "4320023","11.0436","0.001","15.8933","0.0014","16.0388","0.0014","90","","90.098","0.002","90","","2815.1","0.4","180","2","180","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","[Hydro-tris(tert-butyl-thioimidazolyl)borato-zinc-nitrate]","","- C21 H34 B N7 O3 S3 Zn -","- C21 H34 B N7 O3 S3 Zn -","- C84 H136 B4 N28 O12 S12 Zn4 -","4","1","","Markus Tesmer; Mouhai Shu; Heinrich Vahrenkamp","Sulfur-Rich Zinc Chemistry: New Tris(thioimidazolyl)hydroborate Ligands and Their Zinc Complex Chemistry Related to the Structure and Function of Alcohol Dehydrogenase","Inorganic Chemistry","2001","40","","4022","4029","10.1021/ic0101275","","","0.71073","MoKα","","0.0565","0.0385","","","0.0826","0.0895","","","","","","0.953","","","","has coordinates,has disorder","179303","2020-10-21","18:00:00","" "4320024","40.017","0.005","11.3874","0.0014","29.23","0.004","90","","110.54","0.004","90","","12473","3","298","2","298","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","Bis[Tris(tert-butyl-thioimidazolyl)borato]zinc","","- C45 H72 B2 Cl6 N12 S6 Zn -","- C45 H72 B2 Cl6 N12 S6 Zn -","- C360 H576 B16 Cl48 N96 S48 Zn8 -","8","1","","Markus Tesmer; Mouhai Shu; Heinrich Vahrenkamp","Sulfur-Rich Zinc Chemistry: New Tris(thioimidazolyl)hydroborate Ligands and Their Zinc Complex Chemistry Related to the Structure and Function of Alcohol Dehydrogenase","Inorganic Chemistry","2001","40","","4022","4029","10.1021/ic0101275","","","0.71073","MoKα","","0.0844","0.0492","","","0.1204","0.1302","","","","","","0.882","","","","has coordinates,has disorder","179303","2020-10-21","18:00:00","" "4320025","11.031","0.002","16.314","0.003","16.093","0.003","90","","90.28","0.03","90","","2896.1","0.9","293","2","293","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","[{Tris(tert-butyl-thioimidazolyl)borato}zinc-perchlorate]","","- C21 H34 B Cl N6 O4 S3 Zn -","- C21 H34 B Cl N6 O4 S3 Zn -","- C84 H136 B4 Cl4 N24 O16 S12 Zn4 -","4","1","","Markus Tesmer; Mouhai Shu; Heinrich Vahrenkamp","Sulfur-Rich Zinc Chemistry: New Tris(thioimidazolyl)hydroborate Ligands and Their Zinc Complex Chemistry Related to the Structure and Function of Alcohol Dehydrogenase","Inorganic Chemistry","2001","40","","4022","4029","10.1021/ic0101275","","","0.71073","MoKα","","0.0715","0.0382","","","0.0763","0.0862","","","","","","0.873","","","","has coordinates","179303","2020-10-21","18:00:00","" "4320026","25.342","0.002","19.6274","0.0016","18.5123","0.0014","90","","126.968","0.002","90","","7356.9","1","293","2","293","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","[{Tris(tert-butyl-thioimidazolyl)borato}zinc-perchlorate]-bis-ethanol","","- C25 H46 B Cl N6 O6 S3 Zn -","- C24.998 H46 B Cl N6 O6 S3 Zn -","- C199.984 H368 B8 Cl8 N48 O48 S24 Zn8 -","8","1","","Markus Tesmer; Mouhai Shu; Heinrich Vahrenkamp","Sulfur-Rich Zinc Chemistry: New Tris(thioimidazolyl)hydroborate Ligands and Their Zinc Complex Chemistry Related to the Structure and Function of Alcohol Dehydrogenase","Inorganic Chemistry","2001","40","","4022","4029","10.1021/ic0101275","","","0.71073","MoKα","","0.058","0.0402","","","0.106","0.1145","","","","","","1.017","","","","has coordinates,has disorder","179303","2020-10-21","18:00:00","" "4320027","11.2606","0.0006","14.4658","0.0008","15.7714","0.0008","66.962","0.001","72.325","0.001","84.864","0.001","2251.3","0.2","293","2","293","2","","","","","","","","7","P -1","-P 1","2","[Tris(tert-butyl-thioimidazolyl)borato-zinc-p-nitrophenolate]","Y","","- C44 H47 B N8 O3.5 S3 Zn -","- C44 H47 B N8 O3.5 S3 Zn -","- C88 H94 B2 N16 O7 S6 Zn2 -","2","1","","Markus Tesmer; Mouhai Shu; Heinrich Vahrenkamp","Sulfur-Rich Zinc Chemistry: New Tris(thioimidazolyl)hydroborate Ligands and Their Zinc Complex Chemistry Related to the Structure and Function of Alcohol Dehydrogenase","Inorganic Chemistry","2001","40","","4022","4029","10.1021/ic0101275","","","0.71073","MoKα","","0.062","0.0408","","","0.1022","0.1111","","","","","","1.042","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00","" "4320028","16.604","0.004","23.95","0.005","23.153","0.005","90","","108.188","0.004","90","","8747","3","293","2","293","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","trinuclear pyridylmethoxide","","","- C65 H102 B2 Cl8 N14 O10 S6 Zn3 -","- C64 H102 B2 Cl8 N14 O11 S6 Zn3 -","- C256 H408 B8 Cl32 N56 O44 S24 Zn12 -","4","1","","Markus Tesmer; Mouhai Shu; Heinrich Vahrenkamp","Sulfur-Rich Zinc Chemistry: New Tris(thioimidazolyl)hydroborate Ligands and Their Zinc Complex Chemistry Related to the Structure and Function of Alcohol Dehydrogenase","Inorganic Chemistry","2001","40","","4022","4029","10.1021/ic0101275","","","0.71073","MoKα","","0.133","0.0605","","","0.1569","0.2073","","","","","","1.026","","","","has coordinates,has disorder","179303","2020-10-21","18:00:00","" "4320029","10.631","0.002","10.968","0.003","16.225","0.004","94.62","0.02","96.77","0.02","106.06","0.02","1792.6","0.8","150","2","150","2","","","","","","","Li2[MeC(2-NC5H4)(CH2NSiMe3)2] + [Ta(N-2,6-C6H3Pri2)Cl3(py)2]","6","P -1","-P 1","2","","[Ta(N-2,6-C6H3Pri2){MeC(2-NC5H4)(CH2NSiMe3)2}Cl(py)]","","- C32 H51 Cl N5 Si2 Ta -","- C32 H51 Cl N5 Si2 Ta -","- C64 H102 Cl2 N10 Si4 Ta2 -","2","1","","Stephen M. Pugh; Alexander J. Blake; Lutz H. Gade; Philip Mountford","Group 5 Imido Complexes Derived from Diamido-Pyridine Ligands","Inorganic Chemistry","2001","40","","3992","4001","10.1021/ic0102541","","","0.71073","MoKα","","","0.0426","","","0.05","","","","","0.9592","0.9592","","","","","has coordinates","211332","2020-10-21","18:00:00","" "4320030","14.9","0.02","16.834","0.009","24.025","0.013","90","","90","","90","","6026","9","150","2","150","2","","","","","","","[V(N-2,6-C6H3Pri2)Cl3(thf)] + MeC(2-C5H4N)(CH2NHSiMe2Bu-t)2 + NEt3","6","P b c a","-P 2ac 2ab","61","","[V(N-2,6-C6H3Pri2){MeC(2-C5H4N)(CH2NH2)(CH2NHSiMe2Bu-t)}Cl2]","","- C27 H46 Cl2 N4 Si V -","- C27 H46 Cl2 N4 Si V -","- C216 H368 Cl16 N32 Si8 V8 -","8","1","","Stephen M. Pugh; Alexander J. Blake; Lutz H. Gade; Philip Mountford","Group 5 Imido Complexes Derived from Diamido-Pyridine Ligands","Inorganic Chemistry","2001","40","","3992","4001","10.1021/ic0102541","","","0.71073","MoKα","","0.151","0.099","","0.161","0.125","","","","0.944","","","","","","","has coordinates","192782","2020-10-21","18:00:00","" "4320031","15.586","0.004","16.593","0.004","22.303","0.007","90","","90","","90","","5768","3","150","2","150","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","[Nb(NBu-t){MeC(2-NC5H4)(CH2NSiMe3)2}Cl(py)]","","- C24 H43 Cl N5 Nb Si2 -","- C24 H43 Cl N5 Nb Si2 -","- C192 H344 Cl8 N40 Nb8 Si16 -","8","1","","Stephen M. Pugh; Alexander J. Blake; Lutz H. Gade; Philip Mountford","Group 5 Imido Complexes Derived from Diamido-Pyridine Ligands","Inorganic Chemistry","2001","40","","3992","4001","10.1021/ic0102541","","","0.71073","Mo-Kα","","","0.0605","","","0.0654","","","","","1.2459","1.2459","","","","","has coordinates","211332","2020-10-21","18:00:00","" "4320032","15.56","0.005","16.571","0.004","22.319","0.006","90","","90","","90","","5755","3","150","2","150","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C24 H43 Cl N5 Si2 Ta -","- C24 H43 Cl N5 Si2 Ta -","- C192 H344 Cl8 N40 Si16 Ta8 -","8","1","","Stephen M. Pugh; Alexander J. Blake; Lutz H. Gade; Philip Mountford","Group 5 Imido Complexes Derived from Diamido-Pyridine Ligands","Inorganic Chemistry","2001","40","","3992","4001","10.1021/ic0102541","","","0.71073","MoKα","","0.0734","0.0526","","","0.1215","0.1446","","","","","","1.19","","","","has coordinates","211332","2020-10-21","18:00:00","" "4320033","7.4144","0.0005","7.4144","","7.2141","0.0006","90","","90","","90","","396.58","0.04","","","","","","","","","","","","5","P 4/m","-P 4","83","","","","- C8 Fe N6 O2 Pt -","- C8 Fe N6 O2 Pt -","- C8 Fe N6 O2 Pt -","1","0.125","","Virginie Niel; José María Martinez-Agudo; M. Carmen Muñoz; Ana Belén Gaspar; José Antonio Real","Cooperative Spin Crossover Behavior in Cyanide-Bridged Fe(II)-M(II) Bimetallic 3D Hofmann-like Networks (M = Ni, Pd, and Pt)","Inorganic Chemistry","2001","40","","3838","3839","10.1021/ic010259y","powder diffraction","","1.5406","Kα~1~","","","","","","","","","","5.25","","","","","","","has coordinates","179303","2020-10-21","18:00:00","" "4320034","7.0372","0.0005","7.7727","0.0005","8.9851","0.0006","93.386","0.001","105.668","0.001","91.339","0.001","471.98","0.06","293","2","293","2","","","","","","","original synthesis","4","P -1","-P 1","2","","","","- I4 K2 O20 U3 -","- I4 K2 O20 U3 -","- I4 K2 O20 U3 -","1","0.5","","Amanda C. Bean; Michael Ruf; Thomas E. Albrecht-Schmitt","Excision of Uranium Oxide Chains and Ribbons in the Novel One-Dimensional Uranyl Iodates K2[(UO2)3(IO3)4O2] and Ba[(UO2)2(IO3)2O2](H2O)","Inorganic Chemistry","2001","40","","3959","3963","10.1021/ic010342l","","","0.71073","MoKα","","0.0322","0.0303","","0.0752","0.0738","","","","1.023","1.038","1.038","","","","","has coordinates","179303","2020-10-21","18:00:00","" "4320035","8.062","0.004","6.94","0.003","21.665","0.01","90","","98.049","0.01","90","","1200.2","1","298","2","298","2","","","","","","","original synthesis","5","P 1 21/c 1","-P 2ybc","14","","","","- Ba H2 I2 O13 U2 -","- Ba I2 O13 U2 -","- Ba4 I8 O52 U8 -","4","1","","Amanda C. Bean; Michael Ruf; Thomas E. Albrecht-Schmitt","Excision of Uranium Oxide Chains and Ribbons in the Novel One-Dimensional Uranyl Iodates K2[(UO2)3(IO3)4O2] and Ba[(UO2)2(IO3)2O2](H2O)","Inorganic Chemistry","2001","40","","3959","3963","10.1021/ic010342l","","","0.71073","MoKα","","0.0788","0.0591","","0.1118","0.104","","","","1.112","1.17","1.17","","","","","has coordinates","176467","2020-10-21","18:00:00","" "4320036","8.229","0.002","8.229","0.002","16.915","0.007","90","","90","","90","","1145.4","0.6","293","2","293","2","","","","","","","","4","P 43 21 2","P 4nw 2abw","96","","","","- C10 H8 Mn N8 -","- C10 H8 Mn N8 -","- C40 H32 Mn4 N32 -","4","0.5","","Susana Martín; M. Gotzone Barandika; Luis Lezama; J. Luis Pizarro; Zurine E. Serna; J. Ignacio Ruiz de Larramendi; M. Isabel Arriortua; Teófilo Rojo; Roberto Cortés","Weak M(II)-Azide-4,4'-Bipy Ferromagnets Based on Unusual Diamondoid (M = Mn) and 2D Arrays (M = Co, Ni)","Inorganic Chemistry","2001","40","","4109","4115","10.1021/ic001067q","","","0.7107","MoKα","","0.0635","0.0499","","","0.0873","0.0938","","","","","","1.178","","","","has coordinates","179303","2020-10-21","18:00:00","" "4320037","14.157","0.0004","14.186","0.0006","16.127","0.0008","75.202","0.003","77.913","0.002","63.979","0.002","2796.2","0.2","293","2","293","2","","","","","","","","8","P 1","P 1","1","","","","- C122 H104 F6 Fe2 N8 O6 P4 S2 -","- C128.8 H104 F6 Fe2 N8 O5 P4 S2 -","- C128.8 H104 F6 Fe2 N8 O5 P4 S2 -","1","1","","Marwan Kobeissi; Loîc Toupet; Gérard Simonneaux","Electronic Structure of Low-Spin Ferric Chlorins: Characterization of Bis(dimethylphenylphosphine)(meso-tetraphenylchlorinato)iron(III) Triflate","Inorganic Chemistry","2001","40","","4494","4499","10.1021/ic0013328","","","0.71069","MoKα","","0.1186","0.0709","","","0.1878","0.2267","","","","","","1.029","","","","has coordinates","288183","2023-12-08","14:42:59","" "4320038","8.569","0.003","8.569","0.003","45.78","0.02","90","","90","","120","","2911.2","1.9","153.2","","153.2","","","","","","","","","5","P 61","P 61","169","","","","- C19 H26 Cu N4 S2 -","- C19 H26 Cu N4 S2 -","- C114 H156 Cu6 N24 S12 -","6","1","","Young-Jin Kim; Su-Oak Kim; Young-Inn Kim; Sung-Nak Choi","A Mimic Molecule of Blue Copper Protein Active Site [(-)-Sparteine-N,N'](maleonitriledithiolato-S,S')copper(II)","Inorganic Chemistry","2001","40","","4481","4484","10.1021/ic001396i","","","0.7107","MoKα","","0.1374","0.069","","0.135","","0.127","","","1.454","","","1.93","","","","has coordinates","176467","2020-10-21","18:00:00","" "4320039","13.2689","0.001","20.729","0.001","14.1675","0.001","90","","115.984","0.001","90","","3502.9","0.4","123","2","123","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C35 H31 I3 N7 U -","- C36 H21 I3 N6 U -","- C144 H84 I12 N24 U4 -","4","1","","Christelle Rivière; Martine Nierlich; Michel Ephritikhine; Charles Madic","Complexation Studies of Iodides of Trivalent Uranium and Lanthanides (Ce and Nd) with 2,2'-Bipyridine in Anhydrous Pyridine Solutions","Inorganic Chemistry","2001","40","","4428","4435","10.1021/ic001411j","","","0.71073","MoKα","","0.048","0.038","","0.1018","0.0952","","","","0.962","1.061","1.061","","","","","has coordinates","179303","2020-10-21","18:00:00","" "4320040","14.182","0.003","20.779","0.004","23.992","0.005","90","","96.03","0.03","90","","7031","3","123","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C67.5 H58.5 Ce2 I6 N13.5 -","- C68 H59 Ce2 I6 N13 -","- C272 H236 Ce8 I24 N52 -","4","1","","Christelle Rivière; Martine Nierlich; Michel Ephritikhine; Charles Madic","Complexation Studies of Iodides of Trivalent Uranium and Lanthanides (Ce and Nd) with 2,2'-Bipyridine in Anhydrous Pyridine Solutions","Inorganic Chemistry","2001","40","","4428","4435","10.1021/ic001411j","","","0.71073","MoKα","","0.0478","0.032","","0.0693","0.0628","","","","1.039","1.039","1.039","","","","","has coordinates","176467","2020-10-21","18:00:00","" "4320041","13.231","0.003","23.566","0.003","14.537","0.002","90","","101.02","0.01","90","","4449.1","1.3","295","1","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C51.5 H35.5 Co N6.5 O2 -","- C49.75 H33 Co N6 O1.98 -","- C199 H132 Co4 N24 O7.92 -","4","1","","John Goodwin; Rosa Bailey; William Pennington; Roger Rasberry; Tony Green; Shira Shasho; May Yongsavanh; Valerie Echevarria; Jessica Tiedeken; Christina Brown; George Fromm; Stephanie Lyerly; Natalie Watson; Amy Long; Nick De Nitto","Structural and Oxo-Transfer Reactivity Differences of Hexacoordinate and Pentacoordinate (Nitro)(tetraphenylporphinato)cobalt(III) Derivatives","Inorganic Chemistry","2001","40","","4217","4225","10.1021/ic001442e","","","0.71073","MoKα","","0.1575","0.0651","","","0.1751","0.2129","","","","","","0.977","","","","has coordinates","176467","2020-10-21","18:00:00","" "4320042","13.3698","0.0009","23.216","0.003","15.13","0.0003","90","","105.613","0.003","90","","4523","0.7","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C50 H32 Cl5 Co10.5 N6 O2 -","- C49.13 H31 Cl2.38 Co N6 O2 -","- C196.52 H124 Cl9.52 Co4 N24 O8 -","4","1","","John Goodwin; Rosa Bailey; William Pennington; Roger Rasberry; Tony Green; Shira Shasho; May Yongsavanh; Valerie Echevarria; Jessica Tiedeken; Christina Brown; George Fromm; Stephanie Lyerly; Natalie Watson; Amy Long; Nick De Nitto","Structural and Oxo-Transfer Reactivity Differences of Hexacoordinate and Pentacoordinate (Nitro)(tetraphenylporphinato)cobalt(III) Derivatives","Inorganic Chemistry","2001","40","","4217","4225","10.1021/ic001442e","","","0.71073","MoKα","","0.1246","0.0594","","","0.1519","0.1931","","","","","","0.924","","","","has coordinates","176467","2020-10-21","18:00:00","" "4320043","16.916","0.002","19.428","0.003","23.213","0.005","90","","93.99","0.01","90","","7610","2","130","2","130","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","DPA [GaOMe]~2~","","","- C83.8 H99.2 Ga2 N8 O5.8 -","- C83.783 H84.85 Ga2 N8 O5.783 -","- C335.132 H339.4 Ga8 N32 O23.132 -","4","1","","Pierre D. Harvey; Nathalie Proulx; Geneviève Martin; Marc Drouin; Daniel J. Nurco; Kevin M. Smith; Frédéric Bolze; Claude P. Gros; Roger Guilard","Preparation, Characterization, and Luminescence Properties of Gallium-Metal Face-to-Face Diporphyrins (M = H2, GaL, Ru(CO)(OH), Co)","Inorganic Chemistry","2001","40","","4134","4142","10.1021/ic001446j","","","1.54178","CuKα","","0.1564","0.096","","","0.2325","0.2749","","","","","","1.022","","","","has coordinates,has disorder","179303","2020-10-21","18:00:00","" "4320044","22.011","0.003","11.797","0.003","30.347","0.004","90","","110.725","0.012","90","","7370","2","193","2","193","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","DPA [Ga-OH-Ru-CO]","","","- C80.6 H82.2 Cl3.2 Ga N8 O2 Ru -","- C80.636 H81.28 Cl3.272 Ga N8 O2 Ru -","- C322.544 H325.12 Cl13.088 Ga4 N32 O8 Ru4 -","4","1","","Pierre D. Harvey; Nathalie Proulx; Geneviève Martin; Marc Drouin; Daniel J. Nurco; Kevin M. Smith; Frédéric Bolze; Claude P. Gros; Roger Guilard","Preparation, Characterization, and Luminescence Properties of Gallium-Metal Face-to-Face Diporphyrins (M = H2, GaL, Ru(CO)(OH), Co)","Inorganic Chemistry","2001","40","","4134","4142","10.1021/ic001446j","","","1.54178","CuKα","","0.1402","0.1022","","","0.2603","0.2929","","","","","","0.956","","","","has coordinates","179303","2020-10-21","18:00:00","" "4320045","22.124","0.003","11.6623","0.0011","30.112","0.005","90","","110.932","0.011","90","","7256.7","1.8","130","2","130","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","DPA [Ga-OH-Ru-CO]","","","- C87 H95 Ga N8 O4 Ru -","- C87 H94 Ga N8 O4 Ru -","- C348 H376 Ga4 N32 O16 Ru4 -","4","1","","Pierre D. Harvey; Nathalie Proulx; Geneviève Martin; Marc Drouin; Daniel J. Nurco; Kevin M. Smith; Frédéric Bolze; Claude P. Gros; Roger Guilard","Preparation, Characterization, and Luminescence Properties of Gallium-Metal Face-to-Face Diporphyrins (M = H2, GaL, Ru(CO)(OH), Co)","Inorganic Chemistry","2001","40","","4134","4142","10.1021/ic001446j","","","1.54178","CuKα","","0.1929","0.0838","","","0.1769","0.2339","","","","","","1.017","","","","has coordinates","179303","2020-10-21","18:00:00","" "4320046","18.946","0.004","21.535","0.004","21.572","0.004","107.38","0.03","96.02","0.03","94.02","0.03","8305","3","130","2","130","2","","","","","","","","6","P -1","-P 1","2","DPA [GaOMe][MeHO-Ru-CO]","","","- C172.59 H191.56 Ga2 N16 O7.35 Ru2 -","- C86.2935 H89.9 Ga N8 O5.1855 Ru -","- C345.174 H359.6 Ga4 N32 O20.742 Ru4 -","4","2","","Pierre D. Harvey; Nathalie Proulx; Geneviève Martin; Marc Drouin; Daniel J. Nurco; Kevin M. Smith; Frédéric Bolze; Claude P. Gros; Roger Guilard","Preparation, Characterization, and Luminescence Properties of Gallium-Metal Face-to-Face Diporphyrins (M = H2, GaL, Ru(CO)(OH), Co)","Inorganic Chemistry","2001","40","","4134","4142","10.1021/ic001446j","","","0.71073","MoKα","","0.2059","0.0998","","","0.2428","0.3169","","","","","","1.021","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00","" "4320047","8.8515","0.001","15.6733","0.001","17.9457","0.001","105.459","0.01","99.1","0.01","98.586","0.01","2320.9","0.4","213","2","213","2","","","","","","","","7","P -1","-P 1","2","","","","- C29 H49 K N15 O7 Pt2 Yb -","- C29 H49 K N15 O7 Pt2 Yb -","- C58 H98 K2 N30 O14 Pt4 Yb2 -","2","1","","Bin Du; Edward A. Meyers; Sheldon G. Shore","Syntheses and Structural Characterizations of Sheet- and Column-like Lanthanide-Transition Metal Arrays: The Effect of Hydrogen Bonding on the Structure When K+ Is Replaced by [NH4]+","Inorganic Chemistry","2001","40","","4353","4360","10.1021/ic0014787","","","0.71073","MoKα","","0.0831","0.0462","","","0.1249","0.1428","","","","","","1.135","","","","has coordinates","179303","2020-10-21","18:00:00","" "4320048","8.798","0.0018","15.627","0.003","17.969","0.004","105.46","0.03","98.58","0.03","98.15","0.03","2311.3","1","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C29 H49 Eu K N15 Ni2 O7 -","- C29 H49 Eu K N15 Ni2 O7 -","- C58 H98 Eu2 K2 N30 Ni4 O14 -","2","1","","Bin Du; Edward A. Meyers; Sheldon G. Shore","Syntheses and Structural Characterizations of Sheet- and Column-like Lanthanide-Transition Metal Arrays: The Effect of Hydrogen Bonding on the Structure When K+ Is Replaced by [NH4]+","Inorganic Chemistry","2001","40","","4353","4360","10.1021/ic0014787","","","0.71073","MoKα","","0.0711","0.041","","","0.0936","0.104","","","","","","1.045","","","","has coordinates","179303","2020-10-21","18:00:00","" "4320049","9.0321","0.001","29.0623","0.001","15.3163","0.001","90","","94.506","0.01","90","","4008","0.5","213","2","213","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C20 H32 N13 O4 Pt2 Yb -","- C16 N10.4 O3.2 Pt1.6 Yb0.8 -","- C80 N52 O16 Pt8 Yb4 -","5","1.25","","Bin Du; Edward A. Meyers; Sheldon G. Shore","Syntheses and Structural Characterizations of Sheet- and Column-like Lanthanide-Transition Metal Arrays: The Effect of Hydrogen Bonding on the Structure When K+ Is Replaced by [NH4]+","Inorganic Chemistry","2001","40","","4353","4360","10.1021/ic0014787","","","0.71073","MoKα","","0.2156","0.0852","","","0.2103","0.2637","","","","","","1.027","","","","has coordinates,has disorder","179303","2020-10-21","18:00:00","" "4320050","6.3438","0.0006","20.504","0.002","9.391","0.001","90","","98.84","0.01","90","","1207","0.2","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H10 O4 Zn -","- C14 H10 O4 Zn -","- C56 H40 O16 Zn4 -","4","1","","Marie C Barret; Mary F Mahon; Kieran C Molloy; Jonathan W Steed; Philip Wright","Synthesis and Structural Characterization of Tin(II) and Zinc(II) Derivatives of Cyclic α-Hydroxyketones, Including the Structures of Sn(maltol)2, Sn(tropolone)2, Zn(tropolone)2, and Zn(hinokitiol)2","Inorganic Chemistry","2001","40","","4384","4388","10.1021/ic0100368","","","0.71069","MoKα","","0.0407","0.0308","","0.0843","0.0791","","","","0.837","0.874","0.874","","","","","has coordinates","179303","2020-10-21","18:00:00","" "4320051","8.082","0.0002","17.15","0.0003","14.909","0.0003","90","","100.219","0.0012","90","","2033.7","0.07","170","2","170","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C22 H28 O5 Zn -","- C22 H28 O5 Zn -","- C88 H112 O20 Zn4 -","4","1","","Marie C Barret; Mary F Mahon; Kieran C Molloy; Jonathan W Steed; Philip Wright","Synthesis and Structural Characterization of Tin(II) and Zinc(II) Derivatives of Cyclic α-Hydroxyketones, Including the Structures of Sn(maltol)2, Sn(tropolone)2, Zn(tropolone)2, and Zn(hinokitiol)2","Inorganic Chemistry","2001","40","","4384","4388","10.1021/ic0100368","","","0.7107","MoKα","","0.0375","0.0288","","","0.0734","0.0774","","","","","","1.007","","","","has coordinates","288183","2023-12-08","14:42:59","" "4320052","18.908","0.008","26.355","0.008","4.971","0.002","90","","90","","90","","2477.2","1.6","100","2","100","2","","","","","","","","4","F d d 2","F 2 -2d","43","","","","- C12 H10 O6 Sn -","- C12 H10 O6 Sn -","- C96 H80 O48 Sn8 -","8","0.5","","Marie C Barret; Mary F Mahon; Kieran C Molloy; Jonathan W Steed; Philip Wright","Synthesis and Structural Characterization of Tin(II) and Zinc(II) Derivatives of Cyclic α-Hydroxyketones, Including the Structures of Sn(maltol)2, Sn(tropolone)2, Zn(tropolone)2, and Zn(hinokitiol)2","Inorganic Chemistry","2001","40","","4384","4388","10.1021/ic0100368","","","0.7107","","","0.0464","0.0434","","","0.106","0.1084","","","","","","1.071","","","","has coordinates","288183","2023-12-08","14:42:59","" "4320053","7.4934","0.0007","7.5027","0.001","12.026","0.002","78.14","0.006","84.493","0.006","74.096","0.005","635.78","0.15","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","","","- C14 H10 O4 Sn -","- C14 H10 O4 Sn -","- C28 H20 O8 Sn2 -","2","1","","Marie C Barret; Mary F Mahon; Kieran C Molloy; Jonathan W Steed; Philip Wright","Synthesis and Structural Characterization of Tin(II) and Zinc(II) Derivatives of Cyclic α-Hydroxyketones, Including the Structures of Sn(maltol)2, Sn(tropolone)2, Zn(tropolone)2, and Zn(hinokitiol)2","Inorganic Chemistry","2001","40","","4384","4388","10.1021/ic0100368","","","0.7107","MoKα","","0.1044","0.0987","","","0.2524","0.255","","","","","","1.109","","","","has coordinates","179303","2020-10-21","18:00:00","" "4320054","15.9731","0.0003","8.7103","0.0004","7.8725","0.0007","90","","90","","90","","1095.3","0.11","150","1","150","1","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C8 H22 B P -","- C8 H22 B P -","- C32 H88 B4 P4 -","4","1","","Hendrik Dorn; Emira Vejzovic; Alan J. Lough; Ian Manners","Rhodium-Catalyzed Dehydrocoupling of the Sterically Encumbered Phosphine-Borane Adduct tBu2PH.BH3: Synthesis of the Linear Dimers tBu2PH-BH2-tBu2P-BH3 and tBu2PH-BH2-tBu2P-BH2Cl","Inorganic Chemistry","2001","40","","4327","4331","10.1021/ic0100626","","","0.71073","MoKα","","0.0461","0.035","","","0.0769","0.0821","","","","","","1.023","","","","has coordinates","176467","2020-10-21","18:00:00","" "4320055","8.885","0.0002","11.151","0.0004","11.339","0.0004","87.291","0.0014","76.992","0.0016","70.411","0.002","1030.76","0.06","150","1","150","1","","","","","","","","4","P -1","-P 1","2","","","","- C16 H42 B2 P2 -","- C16 H42 B2 P2 -","- C32 H84 B4 P4 -","2","1","","Hendrik Dorn; Emira Vejzovic; Alan J. Lough; Ian Manners","Rhodium-Catalyzed Dehydrocoupling of the Sterically Encumbered Phosphine-Borane Adduct tBu2PH.BH3: Synthesis of the Linear Dimers tBu2PH-BH2-tBu2P-BH3 and tBu2PH-BH2-tBu2P-BH2Cl","Inorganic Chemistry","2001","40","","4327","4331","10.1021/ic0100626","","","0.7107","MoKα","","0.0605","0.0396","","","0.0891","0.0975","","","","","","1.055","","","","has coordinates","176467","2020-10-21","18:00:00","" "4320056","8.7446","0.0003","24.6411","0.0009","10.4574","0.0005","90","","101.857","0.002","90","","2205.25","0.15","240","1","240","1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C16 H41.21 B2 Cl0.79 P2 -","- C16 H41.213 B2 Cl0.787 P2 -","- C64 H164.852 B8 Cl3.148 P8 -","4","1","","Hendrik Dorn; Emira Vejzovic; Alan J. Lough; Ian Manners","Rhodium-Catalyzed Dehydrocoupling of the Sterically Encumbered Phosphine-Borane Adduct tBu2PH.BH3: Synthesis of the Linear Dimers tBu2PH-BH2-tBu2P-BH3 and tBu2PH-BH2-tBu2P-BH2Cl","Inorganic Chemistry","2001","40","","4327","4331","10.1021/ic0100626","","","0.71073","MoKα","","0.0947","0.0535","","","0.1222","0.1381","","","","","","1.035","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00","" "4320057","7.9298","0.0006","18.0226","0.0019","10.6911","0.0008","90","","107.549","0.008","90","","1456.8","0.2","223","2","223","2","","","","","","","","7","P 1 21/m 1","-P 2yb","11","","","","- C24 H26 F12 N5 O P2 Ru -","- C24 H26 F12 N5 O P2 Ru -","- C48 H52 F24 N10 O2 P4 Ru2 -","2","0.5","","Montserrat Rodríguez; Isabel Romero; Antoni Llobet; Alain Deronzier; Margret Biner; Teodor Parella; Helen Stoeckli-Evans","Synthesis, Structure, and Redox and Catalytic Properties of a New Family of Ruthenium Complexes Containing the Tridentate bpea Ligand","Inorganic Chemistry","2001","40","","4150","4156","10.1021/ic010064q","","","0.71073","MoKα","","0.0322","0.0261","","","0.0611","0.0623","","","","","","1.001","","","","has coordinates","179303","2020-10-21","18:00:00","" "4320058","12.9544","0.0008","17.7004","0.0012","23.295","0.002","90","","90","","90","","5341.5","0.7","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C60 H75 Cr N3 O3 -","- C60 H75 Cr N3 O3 -","- C240 H300 Cr4 N12 O12 -","4","1","","Hyungphil Chun; Claudio Nazari Verani; Phalguni Chaudhuri; Eberhard Bothe; Eckhard Bill; Thomas Weyhermüller; Karl Wieghardt","Molecular and Electronic Structure of Octahedral o-Aminophenolato and o-Iminobenzosemiquinonato Complexes of V(V), Cr(III), Fe(III), and Co(III). Experimental Determination of Oxidation Levels of Ligands and Metal Ions","Inorganic Chemistry","2001","40","","4157","4166","10.1021/ic010106a","","","0.71073","MoKα","","0.0621","0.0472","","0.1136","0.1035","","","","1.044","1.072","1.072","","","","","has coordinates","201982","2020-10-21","18:00:00","" "4320059","12.9898","0.0014","17.483","0.002","23.634","0.003","90","","90","","90","","5367.3","1.1","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C60 H75 Fe N3 O3 -","- C60 H75 Fe N3 O3 -","- C240 H300 Fe4 N12 O12 -","4","1","","Hyungphil Chun; Claudio Nazari Verani; Phalguni Chaudhuri; Eberhard Bothe; Eckhard Bill; Thomas Weyhermüller; Karl Wieghardt","Molecular and Electronic Structure of Octahedral o-Aminophenolato and o-Iminobenzosemiquinonato Complexes of V(V), Cr(III), Fe(III), and Co(III). Experimental Determination of Oxidation Levels of Ligands and Metal Ions","Inorganic Chemistry","2001","40","","4157","4166","10.1021/ic010106a","","","0.71073","MoKα","","0.0981","0.0518","","0.0963","0.0844","","","","0.988","1.085","1.085","","","","","has coordinates","201982","2020-10-21","18:00:00","" "4320060","12.9697","0.0009","17.748","0.002","23.101","0.002","90","","90","","90","","5317.5","0.8","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C60 H75 N3 O3 V -","- C60 H75 N3 O3 V -","- C240 H300 N12 O12 V4 -","4","1","","Hyungphil Chun; Claudio Nazari Verani; Phalguni Chaudhuri; Eberhard Bothe; Eckhard Bill; Thomas Weyhermüller; Karl Wieghardt","Molecular and Electronic Structure of Octahedral o-Aminophenolato and o-Iminobenzosemiquinonato Complexes of V(V), Cr(III), Fe(III), and Co(III). Experimental Determination of Oxidation Levels of Ligands and Metal Ions","Inorganic Chemistry","2001","40","","4157","4166","10.1021/ic010106a","","","0.71073","MoKα","","0.0916","0.0699","","0.159","0.1467","","","","1.037","1.078","1.078","","","","","has coordinates,has disorder","179303","2020-10-21","18:00:00","" "4320061","15.165","0.002","18.128","0.002","21.961","0.003","93.41","0.02","97.1","0.02","112.67","0.02","5490.2","1.5","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C60 H76 N3 O3 V -","- C60 H76 N3 O3 V -","- C240 H304 N12 O12 V4 -","4","2","","Hyungphil Chun; Claudio Nazari Verani; Phalguni Chaudhuri; Eberhard Bothe; Eckhard Bill; Thomas Weyhermüller; Karl Wieghardt","Molecular and Electronic Structure of Octahedral o-Aminophenolato and o-Iminobenzosemiquinonato Complexes of V(V), Cr(III), Fe(III), and Co(III). Experimental Determination of Oxidation Levels of Ligands and Metal Ions","Inorganic Chemistry","2001","40","","4157","4166","10.1021/ic010106a","","","0.71073","MoKα","","0.1014","0.0517","","0.1356","0.118","","","","1.004","1.138","1.138","","","","","has coordinates,has disorder","179303","2020-10-21","18:00:00","" "4320062","34.225","0.005","6.7592","0.0008","28.552","0.003","90","","105.33","0.02","90","","6370","1.5","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C32 H50 N3 O3 V -","- C32 H50 N3 O3 V -","- C256 H400 N24 O24 V8 -","8","1","","Hyungphil Chun; Claudio Nazari Verani; Phalguni Chaudhuri; Eberhard Bothe; Eckhard Bill; Thomas Weyhermüller; Karl Wieghardt","Molecular and Electronic Structure of Octahedral o-Aminophenolato and o-Iminobenzosemiquinonato Complexes of V(V), Cr(III), Fe(III), and Co(III). Experimental Determination of Oxidation Levels of Ligands and Metal Ions","Inorganic Chemistry","2001","40","","4157","4166","10.1021/ic010106a","","","0.71073","MoKα","","0.1081","0.0714","","0.1887","0.1678","","","","1.045","1.135","1.135","","","","","has coordinates","179303","2020-10-21","18:00:00","" "4320063","9.331","0.003","16.349","0.001","12.628","0.003","90","","93.9","0.02","90","","1922","0.8","290.2","","290.2","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H30 P2 Pd -","- C16 H30 P2 Pd -","- C64 H120 P8 Pd4 -","4","1","","J. Cámpora; J. A. López; P. Palma; D. del Rio; E. Carmona; P. Valerga; C. Graiff; A. Tiripicchio","Synthesis and Insertion Reactions of the Cyclometalated Palladium-Alkyl Complexes Pd(CH2CMe2-o-C6H4)L2. Observation of a Pentacoordinated Intermediate in the Insertion of SO2","Inorganic Chemistry","2001","40","","4116","4126","10.1021/ic010114r","","","1.5418","CuKalpha","","","0.0716","","","0.0864","","","","","3.704","3.704","","","","","has coordinates","176467","2020-10-21","18:00:00","" "4320064","19.908","0.005","10.311","0.004","14.735","0.005","90","","90","","90","","3024.7","1.7","293","2","293","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C18 H24 Pd -","- C18 H24 Pd -","- C144 H192 Pd8 -","8","1","","J. Cámpora; J. A. López; P. Palma; D. del Rio; E. Carmona; P. Valerga; C. Graiff; A. Tiripicchio","Synthesis and Insertion Reactions of the Cyclometalated Palladium-Alkyl Complexes Pd(CH2CMe2-o-C6H4)L2. Observation of a Pentacoordinated Intermediate in the Insertion of SO2","Inorganic Chemistry","2001","40","","4116","4126","10.1021/ic010114r","","","0.71073","MoKα","","0.0613","0.0423","","","0.1214","0.1303","","","","","","1.01","","","","has coordinates","179303","2020-10-21","18:00:00","" "4320065","8.244","0.004","17.519","0.003","13.854","0.004","90","","94.59","0.03","90","","1994.5","1.2","290.2","","290.2","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C16 H30 O2 P2 Pd S -","- C16 H30 O2 P2 Pd S -","- C64 H120 O8 P8 Pd4 S4 -","4","1","","J. Cámpora; J. A. López; P. Palma; D. del Rio; E. Carmona; P. Valerga; C. Graiff; A. Tiripicchio","Synthesis and Insertion Reactions of the Cyclometalated Palladium-Alkyl Complexes Pd(CH2CMe2-o-C6H4)L2. Observation of a Pentacoordinated Intermediate in the Insertion of SO2","Inorganic Chemistry","2001","40","","4116","4126","10.1021/ic010114r","","","0.7107","MoKalpha","","","0.0391","","","0.0452","","","","","1.367","1.367","","","","","has coordinates","176467","2020-10-21","18:00:00","" "4320066","7.3581","0.0005","9.0354","0.0009","9.6377","0.0007","90","","107.019","0.004","90","","612.69","0.09","295","","","","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","caesium niobium(V)tetrasilicate","","- Cs0.66 H2.33 Nb O12 Si4 -","- Cs0.66 Nb O12 Si4 -","- Cs1.32 Nb2 O24 Si8 -","2","0.5","","Miguel A. Salvadó; Pilar Pertierra; Santiago García-Granda; Sergei A. Khainakov; José R. García; Anatoly I. Bortun; Abraham Clearfield","Novel Silicate Anion: Si8O2212-. Hydrothermal Synthesis and X-ray Powder Structure of Three New Niobium Silicates","Inorganic Chemistry","2001","40","","4368","4373","10.1021/ic0101174","powder diffraction","","1.5418","CuKα","","","","","","","","","","3.17","","","","","","","has coordinates","176467","2020-10-21","18:00:00","" "4320067","7.1543","0.0002","9.1228","0.0003","8.8966","0.0003","90","","101.341","0.002","90","","569.32","0.03","295","","","","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","sodium niobium(V)tetrasilicate","","- H3.5 Na2 Nb O13.25 Si4 -","- Na2 Nb O13.25 Si4 -","- Na4 Nb2 O26.5 Si8 -","2","0.5","","Miguel A. Salvadó; Pilar Pertierra; Santiago García-Granda; Sergei A. Khainakov; José R. García; Anatoly I. Bortun; Abraham Clearfield","Novel Silicate Anion: Si8O2212-. Hydrothermal Synthesis and X-ray Powder Structure of Three New Niobium Silicates","Inorganic Chemistry","2001","40","","4368","4373","10.1021/ic0101174","powder diffraction","","1.5418","CuKα","","","","","","","","","","4","","","","","","","has coordinates","176467","2020-10-21","18:00:00","" "4320068","7.3639","0.0004","9.0086","0.0007","9.6355","0.0005","90","","107.293","0.003","90","","610.31","0.07","295","","","","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","niobium(V)tetrasilicate monohydrate","","- H5 Nb O13 Si4 -","- Nb O13 Si4 -","- Nb2 O26 Si8 -","2","0.5","","Miguel A. Salvadó; Pilar Pertierra; Santiago García-Granda; Sergei A. Khainakov; José R. García; Anatoly I. Bortun; Abraham Clearfield","Novel Silicate Anion: Si8O2212-. Hydrothermal Synthesis and X-ray Powder Structure of Three New Niobium Silicates","Inorganic Chemistry","2001","40","","4368","4373","10.1021/ic0101174","powder diffraction","","1.5418","CuKα","","","","","","","","","","4.02","","","","","","","has coordinates","176467","2020-10-21","18:00:00","" "4320069","7.0386","0.001","7.1244","0.001","7.4151","0.001","114.702","0.002","117.385","0.002","92.287","0.002","287.27","0.07","293","2","213","2","","","","","","","","4","P -1","-P 1","2","","","","- C8 H12 Ni S4 -","- C8 H12 Ni S4 -","- C8 H12 Ni S4 -","1","0.5","","Booyong S. Lim; Dmitry V. Fomitchev; R. H. Holm","Nickel Dithiolenes Revisited: Structures and Electron Distribution from Density Functional Theory for the Three-Member Electron-Transfer Series [Ni(S2C2Me2)2]0,1-,2-","Inorganic Chemistry","2001","40","","4257","4262","10.1021/ic010138y","","","0.71073","MoKα","","0.0422","0.036","","","0.1112","0.1437","","","","","","1.15","","","","has coordinates","179303","2020-10-21","18:00:00","" "4320070","13.1072","0.0012","12.3214","0.0011","13.1751","0.0012","90","","101.085","0.002","90","","2088.1","0.3","213","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C16 H32 N Ni S4 -","- C16 H32 N Ni S4 -","- C64 H128 N4 Ni4 S16 -","4","0.5","","Booyong S. Lim; Dmitry V. Fomitchev; R. H. Holm","Nickel Dithiolenes Revisited: Structures and Electron Distribution from Density Functional Theory for the Three-Member Electron-Transfer Series [Ni(S2C2Me2)2]0,1-,2-","Inorganic Chemistry","2001","40","","4257","4262","10.1021/ic010138y","","","0.71073","MoKα","","0.0456","0.0374","","","0.0921","0.0983","","","","","","1.103","","","","has coordinates,has disorder","179303","2020-10-21","18:00:00","" "4320071","8.992","0.0007","18.9047","0.0015","24.503","0.0018","109.155","0.002","94.881","0.002","101.874","0.001","3797.7","0.5","293","2","213","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H52 N2 Ni S4 -","- C24 H52 N2 Ni S4 -","- C120 H260 N10 Ni5 S20 -","5","2.5","","Booyong S. Lim; Dmitry V. Fomitchev; R. H. Holm","Nickel Dithiolenes Revisited: Structures and Electron Distribution from Density Functional Theory for the Three-Member Electron-Transfer Series [Ni(S2C2Me2)2]0,1-,2-","Inorganic Chemistry","2001","40","","4257","4262","10.1021/ic010138y","","","0.71073","MoKα","","0.0592","0.0368","","","0.0864","0.0957","","","","","","1.004","","","","has coordinates","179303","2020-10-21","18:00:00","" "4320072","47.192","0.003","8.5076","0.0005","17.3694","0.001","90","","91.718","0.001","90","","6970.5","0.7","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C35 H42 Fe2 N4 O8.5 -","- C34 H40 Fe2 N4 O8.5 -","- C272 H320 Fe16 N32 O68 -","8","1","","Pete Saweczko; Gary D. Enright; Heinz-Bernhard Kraatz","Interaction of Ferrocenoyl-Dipeptides with 3-Aminopyrazole Derivatives: β-Sheet Models? A Synthetic, Spectroscopic, Structural, and Electrochemical Study","Inorganic Chemistry","2001","40","","4409","4419","10.1021/ic010145m","","","0.71073","MoKα","","0.0627","0.0324","","","0.0681","0.0758","","","","","","0.932","","","","has coordinates","176467","2020-10-21","18:00:00","" "4320073","13.0322","0.0007","13.0322","0.0007","17.2087","0.0013","90","","90","","90","","2922.7","0.3","90","2","90","2","","","","","","","","5","I -4 m 2","I -4 -2","119","[GeO4Al12(OH)24(H2O)12](SeO4)4.14H2O","","","- Al12 Ge H62 O70 Se4 -","- Al12 Ge O70 Se4 -","- Al24 Ge2 O140 Se8 -","2","0.125","","Alasdair P. Lee; Brian L. Phillips; Marilyn M. Olmstead; William H. Casey","Synthesis and Characterization of the GeO4Al12(OH)24(OH2)128+ Polyoxocation","Inorganic Chemistry","2001","40","","4485","4487","10.1021/ic010146e","","","0.71073","MoKα","","0.0648","0.0627","","","0.1456","0.1466","","","","","","1.299","","","","has coordinates","176467","2020-10-21","18:00:00","" "4320074","23.7157","0.0003","23.7157","0.0003","88.5147","0.0005","90","","90","","120","","43114","0.8","156","2","156","2","","","","","","","","8","R -3 :H","-R 3","148","","","","- C139.25 H130.5 Ag3 Cs N8.75 O20.75 P6 Sn2 -","- C139.245 H130.5 Ag3 Cs N8.75 O20.745 P6 Sn2 -","- C1670.94 H1566 Ag36 Cs12 N105 O248.94 P72 Sn24 -","12","0.666667","","Xiankai Sun; Darren W. Johnson; Kenneth N. Raymond; Edward H. Wong","A Silver-Linked Supramolecular Cluster Encapsulating a Cesium Cation","Inorganic Chemistry","2001","40","","4504","4506","10.1021/ic010154v","","","0.71073","MoKα","","0.0858","0.0517","","","0.1407","0.1607","","","","","","1.03","","","","has coordinates","176467","2020-10-21","18:00:00","" "4320075","9.776","0.002","11.744","0.003","14.183","0.003","102.09","0.02","109.42","0.02","107.11","0.02","1379.8","0.7","295","","295","","","","","","","","chemical synthesis","7","P -1","-P 1","2","","","","- C26 H16 Cl4 Cu N4 O4 Re -","- C26 H16 Cl4 Cu N4 O4 Re -","- C52 H32 Cl8 Cu2 N8 O8 Re2 -","2","1","","Raúl Chiozzone; Ricardo González; Carlos Kremer; Giovanni De Munno; Donatella Armentano; Joan Cano; Francesc Lloret; Miguel Julve; Juan Faus","Heterobimetallic Oxalato-Bridged CuIIReIV Complexes. Synthesis, Crystal Structure and Magnetic Properties","Inorganic Chemistry","2001","40","","4242","4249","10.1021/ic010174x","","","0.71073","MoKα","","5.48","4.05","","6.15","5.44","","","","","1.07","1.07","","","","","has coordinates","179303","2020-10-21","18:00:00","" "4320076","12.837","0.003","17.761","0.004","12.914","0.003","90","","91.32","0.02","90","","2943.6","1.2","295","","295","","","","","","","","chemical synthesis","7","P 1 21/n 1","-P 2yn","14","","","","- C28 H19 Cl4 Cu N5 O4 Re -","- C28 H16 Cl4 Cu N5 O4 Re -","- C112 H64 Cl16 Cu4 N20 O16 Re4 -","4","1","","Raúl Chiozzone; Ricardo González; Carlos Kremer; Giovanni De Munno; Donatella Armentano; Joan Cano; Francesc Lloret; Miguel Julve; Juan Faus","Heterobimetallic Oxalato-Bridged CuIIReIV Complexes. Synthesis, Crystal Structure and Magnetic Properties","Inorganic Chemistry","2001","40","","4242","4249","10.1021/ic010174x","","","0.71073","MoKα","","15.54","9.75","","17.53","13.91","","","","","2.02","2.02","","","","","has coordinates","179303","2020-10-21","18:00:00","" "4320077","8.93","0.002","18.543","0.004","27.503","0.006","90","","94.67","0.02","90","","4539.1","1.7","295","","295","","","","","","","","chemical synthesis","7","P 1 21/c 1","-P 2ybc","14","","","","- C36 H27 Cl8 Cu2 N7 O9 Re2 -","- C36 H22 Cl8 Cu2 N7 O9 Re2 -","- C144 H88 Cl32 Cu8 N28 O36 Re8 -","4","1","","Raúl Chiozzone; Ricardo González; Carlos Kremer; Giovanni De Munno; Donatella Armentano; Joan Cano; Francesc Lloret; Miguel Julve; Juan Faus","Heterobimetallic Oxalato-Bridged CuIIReIV Complexes. Synthesis, Crystal Structure and Magnetic Properties","Inorganic Chemistry","2001","40","","4242","4249","10.1021/ic010174x","","","0.71073","MoKα","","11.5","5.26","","7.96","6.14","","","","","1.3","1.3","","","","","has coordinates","190379","2020-10-21","18:00:00","" "4320078","7.422","0.007","11.397","0.005","12.61","0.002","90","","102.1","0.05","90","","1043","1.1","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C19 H19 Cl Cu N3 O7 -","- C19 H18 Cl Cu N3 O7 -","- C38 H36 Cl2 Cu2 N6 O14 -","2","1","","P. S. Subramanian; E. Suresh; P. Dastidar; S. Waghmode; D. Srinivas","Conformational Isomerism and Weak Molecular and Magnetic Interactions in Ternary Copper(II) Complexes of [Cu(AA)L']ClO4.nH2O, Where AA = l-Phenylalanine and l-Histidine, L' = 1,10-Phenanthroline and 2,2-Bipyridine, and n = 1 or 1.5: Synthesis, Single-Crystal X-ray Structures, and Magnetic Resonance Investigations","Inorganic Chemistry","2001","40","","4291","4301","10.1021/ic010182d","","","0.7107","MoK/a","","0.0644","0.0574","","","0.1657","0.174","","","","","","1.157","","","","has coordinates","179303","2020-10-21","18:00:00","" "4320079","18.834","0.006","10.563","0.004","11.039","0.003","90","","115.23","0.02","90","","1986.6","1.2","293","2","293","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C16 H19 Cl Cu N5 O7.5 -","- C16 H18.5 Cl Cu N5 O7.5 -","- C64 H74 Cl4 Cu4 N20 O30 -","4","1","","P. S. Subramanian; E. Suresh; P. Dastidar; S. Waghmode; D. Srinivas","Conformational Isomerism and Weak Molecular and Magnetic Interactions in Ternary Copper(II) Complexes of [Cu(AA)L']ClO4.nH2O, Where AA = l-Phenylalanine and l-Histidine, L' = 1,10-Phenanthroline and 2,2-Bipyridine, and n = 1 or 1.5: Synthesis, Single-Crystal X-ray Structures, and Magnetic Resonance Investigations","Inorganic Chemistry","2001","40","","4291","4301","10.1021/ic010182d","","","0.7107","MoKα","","0.0544","0.0474","","","0.1261","0.1311","","","","","","1.093","","","","has coordinates","176467","2020-10-21","18:00:00","" "4320080","10.802","0.001","23.345","0.001","11.384","0.001","90","0.01","102.897","0.01","90","0.01","2798.3","0.4","120","","120","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H44 N2 O4 Ti -","- C28 H41.55 N2 O4 Ti -","- C112 H166.2 N8 O16 Ti4 -","4","1","","Edit Y. Tshuva; Israel Goldberg; Moshe Kol; Zeev Goldschmidt","Coordination Chemistry of Amine Bis(phenolate) Titanium Complexes: Tuning Complex Type and Structure by Ligand Modification","Inorganic Chemistry","2001","40","","4263","4270","10.1021/ic010210s","","","0.7107","MoKα","","0.0669","0.0559","","","0.161","0.171","","","","","","1","","","","has coordinates","179303","2020-10-21","18:00:00","" "4320081","12.724","0.0002","13.309","0.0002","14.944","0.0003","76.006","0.0007","88.541","0.0007","77.743","0.0011","2398.7","0.07","110","2","110","2","","","","","","","","5","P -1","-P 1","2","","","","- C54 H66 N2 O4 Ti -","- C54 H66 N2 O4 Ti -","- C108 H132 N4 O8 Ti2 -","2","1","","Edit Y. Tshuva; Israel Goldberg; Moshe Kol; Zeev Goldschmidt","Coordination Chemistry of Amine Bis(phenolate) Titanium Complexes: Tuning Complex Type and Structure by Ligand Modification","Inorganic Chemistry","2001","40","","4263","4270","10.1021/ic010210s","","","0.7107","MoKα","","0.0997","0.0619","","","0.1515","0.1732","","","","","","1.005","","","","has coordinates","179303","2020-10-21","18:00:00","" "4320082","13.225","0.0004","15.193","0.0004","16.381","0.0006","85.406","0.0013","79.847","0.0017","66.808","0.0019","2977.83","0.17","110","2","110","2","","","","","","","","5","P -1","-P 1","2","","","","- C61.5 H96 N2 O4 Ti -","- C61.5 H90 N2 O4 Ti -","- C123 H180 N4 O8 Ti2 -","2","1","","Edit Y. Tshuva; Israel Goldberg; Moshe Kol; Zeev Goldschmidt","Coordination Chemistry of Amine Bis(phenolate) Titanium Complexes: Tuning Complex Type and Structure by Ligand Modification","Inorganic Chemistry","2001","40","","4263","4270","10.1021/ic010210s","","","0.7107","MoKα","","0.0988","0.0599","","","0.1491","0.173","","","","","","0.935","","","","has coordinates","176467","2020-10-21","18:00:00","" "4320083","14.709","0.0004","26.244","0.0006","15.164","0.0005","90","","97.915","0.0009","90","","5797.9","0.3","110","2","110","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C61 H87 N3 O4 Ti -","- C62 H87 N3 O4 Ti -","- C248 H348 N12 O16 Ti4 -","4","1","","Edit Y. Tshuva; Israel Goldberg; Moshe Kol; Zeev Goldschmidt","Coordination Chemistry of Amine Bis(phenolate) Titanium Complexes: Tuning Complex Type and Structure by Ligand Modification","Inorganic Chemistry","2001","40","","4263","4270","10.1021/ic010210s","","","0.7107","MoKα","","0.1731","0.0835","","","0.1821","0.231","","","","","","0.959","","","","has coordinates","179303","2020-10-21","18:00:00","" "4320084","7.6706","0.0016","11.478","0.003","13.808","0.003","95.012","0.015","100.92","0.02","109.094","0.016","1113.3","0.5","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","bis(4,4'-dimethyl-2,2'-bipyridine)copper(I) bromide","","- C24 H24 Br Cu N4 -","- C24 H24 Br Cu N4 -","- C48 H48 Br2 Cu2 N8 -","2","1","","Roger D. Willett; George Pon; Callie Nagy","Crystal Chemistry of the 4,4'-Dimethyl-2,2'bipyridine/Copper Bromide System","Inorganic Chemistry","2001","40","","4342","4352","10.1021/ic010229v","","","0.71073","MoKα","","0.0595","0.0472","","","0.0916","0.0989","","","","","","1.129","","","","has coordinates","179303","2020-10-21","18:00:00","" "4320085","51.982","0.01","7.2749","0.0015","14.098","0.003","90","","105.67","0.03","90","","5133","2","293","2","293","2","","","","","","","","6","P 1 2/c 1","-P 2yc","13","","[bis(4,4'-dimethyl-2,2'-bipyridine)copper(II)bromide] hydroxide hydrate","","- C24 H36 Br Cu N4 O6.5 -","- C24 H24 Br Cu N4 O6.29 -","- C192 H192 Br8 Cu8 N32 O50.32 -","8","2","","Roger D. Willett; George Pon; Callie Nagy","Crystal Chemistry of the 4,4'-Dimethyl-2,2'bipyridine/Copper Bromide System","Inorganic Chemistry","2001","40","","4342","4352","10.1021/ic010229v","","","0.71073","MoKα","","0.1795","0.1235","","","0.316","0.3594","","","","","","0.965","","","","has coordinates","179303","2020-10-21","18:00:00","" "4320086","13.39","0.003","7.4869","0.0015","14.449","0.003","90","","105.85","0.03","90","","1393.4","0.5","293","2","293","2","","","","","","","","6","P 1 2/c 1","-P 2yc","13","","[bis(4,4'-dimethyl-2,2'-bipyridine)copper(II)bromide] bromide/hydroxide hydrate","","- C24 H35.06 Br1.94 Cu N4 O5.56 -","- C24 H24 Br1.88 Cu N4 O5.64 -","- C48 H48 Br3.76 Cu2 N8 O11.28 -","2","0.5","","Roger D. Willett; George Pon; Callie Nagy","Crystal Chemistry of the 4,4'-Dimethyl-2,2'bipyridine/Copper Bromide System","Inorganic Chemistry","2001","40","","4342","4352","10.1021/ic010229v","","","0.71073","MoKα","","0.0745","0.0588","","","0.1375","0.1484","","","","","","1.163","","","","has coordinates","179303","2020-10-21","18:00:00","" "4320087","8.8329","0.0005","11.2819","0.0006","14.0647","0.0007","99.956","0.002","100.252","0.002","94.901","0.002","1348.63","0.13","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","[bis(4,4'-dimethyl-2,2'-bipyridine)copper(II)bromide] copper(I) dibromide","","- C24 H24 Br3 Cu2 N4 -","- C24 H24 Br3 Cu2 N4 -","- C48 H48 Br6 Cu4 N8 -","2","1","","Roger D. Willett; George Pon; Callie Nagy","Crystal Chemistry of the 4,4'-Dimethyl-2,2'bipyridine/Copper Bromide System","Inorganic Chemistry","2001","40","","4342","4352","10.1021/ic010229v","","","0.71073","MoKα","","0.097","0.0736","","","0.1407","0.1543","","","","","","1.207","","","","has coordinates","179303","2020-10-21","18:00:00","" "4320088","8.5021","0.0003","10.8577","0.0004","15.5912","0.0001","89.116","0.002","82.644","0.002","79.418","0.002","1403.1","0.07","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","[bis(4,4'-dimethyl-2,2'-bipyridine)copper(II)bromide]-μ-bromo- dicopper(I)tribromide","","- C24 H24 Br4 Cu3 N4 -","- C24 H24 Br4 Cu3 N4 -","- C48 H48 Br8 Cu6 N8 -","2","1","","Roger D. Willett; George Pon; Callie Nagy","Crystal Chemistry of the 4,4'-Dimethyl-2,2'bipyridine/Copper Bromide System","Inorganic Chemistry","2001","40","","4342","4352","10.1021/ic010229v","","","0.71073","MoKα","","0.1546","0.1061","","","0.2062","0.2409","","","","","","1.153","","","","has coordinates","179303","2020-10-21","18:00:00","" "4320089","7.4524","0.0003","9.6154","0.0003","11.5976","0.0001","107.821","0.002","97.491","0.002","112.248","0.002","703.11","0.04","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","Bis[(4,4'-dimethyl-2,2'-bipyridine)copper(II)dibromide]","","- C24 H25 Br Cu N4 O -","- C12 H12 Br2 Cu N2 -","- C24 H24 Br4 Cu2 N4 -","2","1","","Roger D. Willett; George Pon; Callie Nagy","Crystal Chemistry of the 4,4'-Dimethyl-2,2'bipyridine/Copper Bromide System","Inorganic Chemistry","2001","40","","4342","4352","10.1021/ic010229v","","","0.71073","MoKα","","0.1923","0.1497","","","0.4145","0.4602","","","","","","1.94","","","","has coordinates","258736","2020-11-05","08:57:04","" "4320090","18.32","0.004","9.817","0.002","7.483","0.0015","90","","107.86","0.03","90","","1280.9","0.5","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","(4,4'-dimethy-2,2'-bipyridine)copper(II)dibromide","","- C12 H12 Br2 Cu N2 -","- C12 H12 Br2 Cu N2 -","- C48 H48 Br8 Cu4 N8 -","4","0.5","","Roger D. Willett; George Pon; Callie Nagy","Crystal Chemistry of the 4,4'-Dimethyl-2,2'bipyridine/Copper Bromide System","Inorganic Chemistry","2001","40","","4342","4352","10.1021/ic010229v","","","0.71073","MoKα","","0.0359","0.0293","","","0.0676","0.0704","","","","","","1.093","","","","has coordinates","179303","2020-10-21","18:00:00","" "4320091","17.3718","0.0005","13.3189","0.0001","7.4432","0.0002","90","","110.686","0.002","90","","1611.13","0.07","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","(4,4'-dimethyl-2,2'-bipyridine)dicopper(II)tetrabromide","","- C12 H14 Br4 Cu2 N2 -","- C12 H12 Br4 Cu2 N2 -","- C48 H48 Br16 Cu8 N8 -","4","0.5","","Roger D. Willett; George Pon; Callie Nagy","Crystal Chemistry of the 4,4'-Dimethyl-2,2'bipyridine/Copper Bromide System","Inorganic Chemistry","2001","40","","4342","4352","10.1021/ic010229v","","","0.71073","MoKα","","0.1777","0.056","","","0.1288","0.1579","","","","","","1.118","","","","has coordinates","179303","2020-10-21","18:00:00","" "4320092","12.371","0.014","23.92","0.03","33.29","0.03","90","","100.42","0.02","90","","9689","19","173","2","173","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C43 H43 Co2 F12 N15 O4 P2 -","- C37 H33 Co2 F10.5 N12 O4 P1.75 -","- C296 H264 Co16 F84 N96 O32 P14 -","8","2","","Christopher Incarvito; Arnold L. Rheingold; Anna L. Gavrilova; C. Jin Qin; B. Bosnich","Bimetallic Reactivity. One-site Addition Two-metal Oxidation Reactions Using a Di-Co(II) Complex of a Binucleating Ligand with 5- and 6-Coordinate Sites","Inorganic Chemistry","2001","40","","4101","4108","10.1021/ic010235r","","","0.71073","MoKα","","0.1607","0.095","","","0.2261","0.2514","","","","","","1.224","","","","has coordinates","179303","2020-10-21","18:00:00","" "4320093","9.293","0.006","12.456","0.007","11.548","0.008","90","","90","","90","","1336.7","1.5","171","2","171","2","","","","","","","","5","C m c 21","C 2c -2","36","methylated trifluoromethyl-methyl ether","trifluoromethyl-dimethyl-oxonium undecafluorodiantimonate","","- C3 H6 F14 O Sb2 -","- C3 H6 F14 O Sb2 -","- C12 H24 F56 O4 Sb8 -","4","0.5","","Rolf Minkwitz; Stefan Reinemann; Raphael Seelbinder; Detlef Konikowski; Hans Hartl; Irene Brüdgam; Joachim Hegge; Berthold Hoge; Jeffrey A. Sheehy; Karl O. Christe","Synthesis and Characterization of the First Examples of Perfluoroalkyl-Substituted Trialkyloxonium Salts, [(CH3)2OCF3]+[Sb2F11]- and [(CH3)2OCF(CF3)2]+[Sb2F11]-","Inorganic Chemistry","2001","40","","4404","4408","10.1021/ic010239w","","","0.71073","MoKα","","0.0231","0.0225","","","0.062","0.0624","","","","","","1.089","","","","has coordinates","179303","2020-10-21","18:00:00","" "4320094","11.246","0.0003","8.936","0.0002","11.9637","0.0001","90","","109.995","0.002","90","","1129.81","0.04","213","2","213","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Bis(azido)-cyclodistibazanes","","- C16 H36 N2 O2 Sb2 -","- C16 H36 N2 O2 Sb2 -","- C32 H72 N4 O4 Sb4 -","2","0.5","","Dana C. Haagenson; Lothar Stahl; Richard J. Staples","Syntheses and Structures of Bis(azido)- and Bis(tert-butoxy)cyclodistibazanes","Inorganic Chemistry","2001","40","","4491","4493","10.1021/ic010247c","","","0.71073","MoKα","","0.0339","0.0309","","","0.0874","0.0901","","","","","","1.047","","","","has coordinates","179303","2020-10-21","18:00:00","" "4320095","6.6242","0.0009","6.9198","0.0009","8.969","0.001","99.401","0.006","97.796","0.005","100.969","0.005","392.25","0.09","213","2","213","2","","","","","","","","4","P -1","-P 1","2","","Bis(tert-butoxy)cyclodistibazanes","","- C8 H18 N8 Sb2 -","- C8 H18 N8 Sb2 -","- C8 H18 N8 Sb2 -","1","0.5","","Dana C. Haagenson; Lothar Stahl; Richard J. Staples","Syntheses and Structures of Bis(azido)- and Bis(tert-butoxy)cyclodistibazanes","Inorganic Chemistry","2001","40","","4491","4493","10.1021/ic010247c","","","0.71073","MoKα","","0.0331","0.0276","","","0.0634","0.065","","","","","","1.038","","","","has coordinates","179303","2020-10-21","18:00:00","" "4320096","21.28","0.005","34.43","0.008","33.023","0.008","90","","104.606","0.011","90","","23413","10","105","","105","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C73 H143 Mn12 N5 O54 -","- C73 H135 Mn12 N5 O54 -","- C584 H1080 Mn96 N40 O432 -","8","1","","Pau Artus; Colette Boskovic; Jae Yoo; William E. Streib; Louis-Claude Brunel; David N. Hendrickson; George Christou","Single-Molecule Magnets: Site-Specific Ligand Abstraction from [Mn12O12(O2CR)16(H2O)4] and the Preparation and Properties of [Mn12O12(NO3)4(O2CCH2But)12(H2O)4]","Inorganic Chemistry","2001","40","","4199","4210","10.1021/ic010252g","","","0.71069","MoKα","","","0.0746","","","","0.0754","","","","","","1.7088","","","","has coordinates,has disorder","179303","2020-10-21","18:00:00","" "4320097","12.8114","0.0008","19.551","0.0012","18.6265","0.0012","90","","100.774","0.002","90","","4583.2","0.5","293","2","293","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C49 H43 Cl2 N3 O7 P2 Rh2 -","- C49 H43 Cl2 N3 O7 P2 Rh2 -","- C196 H172 Cl8 N12 O28 P8 Rh8 -","4","1","","Mario Barberis; Francisco Estevan; Pascual Lahuerta; Julia Pérez-Prieto; Mercedes Sanaú","New Dinuclear Catalysts Rh2(N-O)2[(C6H4)P(C6H5)2]2 with Imidate Ligands: Synthesis and Isomerization from Head-to-Tail to Head-to-Head Configuration of the Imidate Ligands","Inorganic Chemistry","2001","40","","4226","4229","10.1021/ic010257d","","","0.71073","MoKα","","0.2566","0.0658","","","0.0847","0.1177","","","","","","0.875","","","","has coordinates","179303","2020-10-21","18:00:00","" "4320098","10.0387","0.0008","24.741","0.002","19.208","0.0017","90","","92.93","0.002","90","","4764.4","0.7","296","2","296","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C46 H39 Cl4 N2 O6 P2 Rh2 -","- C46 H39 Cl4 N2 O6 P2 Rh2 -","- C184 H156 Cl16 N8 O24 P8 Rh8 -","4","1","","Mario Barberis; Francisco Estevan; Pascual Lahuerta; Julia Pérez-Prieto; Mercedes Sanaú","New Dinuclear Catalysts Rh2(N-O)2[(C6H4)P(C6H5)2]2 with Imidate Ligands: Synthesis and Isomerization from Head-to-Tail to Head-to-Head Configuration of the Imidate Ligands","Inorganic Chemistry","2001","40","","4226","4229","10.1021/ic010257d","","","0.71073","MoKα","","0.1693","0.0713","","","0.1595","0.1823","","","","","","0.979","","","","has coordinates","179303","2020-10-21","18:00:00","" "4320099","11.3398","0.0001","15.975","0.0002","16.44","0.0003","91.0735","0.0009","109.313","0.0007","90.7666","0.0008","2809.47","0.07","200","","200","","","","","","","","","6","P -1","-P 1","2","","","","- C28 H34 Au2 N P S2 -","- C27.9995 H29.5 Au2 N P S2 -","- C111.998 H118 Au8 N4 P4 S8 -","4","2","","Suresh K. Bhargava; Fabian Mohr; Martin A. Bennett; Lee L. Welling; Anthony C. Willis","Synthesis, Structure, and Reactions of Binuclear Gold(I) Complexes Containing Two Different Bridging Ligands","Inorganic Chemistry","2001","40","","4271","4275","10.1021/ic010272i","","","0.7107","MoKα","","0.0716","0.0335","","0.044","","0.0337","","","0.803","","","0.778","","","","has coordinates","176467","2020-10-21","18:00:00","" "4320100","8.6136","0.0002","9.3273","0.0002","21.1518","0.0004","84.008","0.001","84.945","0.001","75.181","0.001","1630.53","0.06","200","","200","","","","","","","","","7","P -1","-P 1","2","","","","- C28 H34 Au2 I2 N P S2 -","- C28 H34 Au2 I2 N P S2 -","- C56 H68 Au4 I4 N2 P2 S4 -","2","1","","Suresh K. Bhargava; Fabian Mohr; Martin A. Bennett; Lee L. Welling; Anthony C. Willis","Synthesis, Structure, and Reactions of Binuclear Gold(I) Complexes Containing Two Different Bridging Ligands","Inorganic Chemistry","2001","40","","4271","4275","10.1021/ic010272i","","","0.7107","MoKα","","0.0492","0.0297","","0.0402","","0.0338","","","0.85","","","0.838","","","","has coordinates","176467","2020-10-21","18:00:00","" "4320101","12.1588","0.0002","31.0044","0.0003","19.9278","0.0003","90","","94.023","0.001","90","","7493.8","0.18","203","2","203","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C69 H91 B4 Cl3 Cu4 O S8 -","- C69 H81 B4 Cl3 Cu4 O S8 -","- C276 H324 B16 Cl12 Cu16 O4 S32 -","4","1","","Carl Ohrenberg; Louise M. Liable-Sands; Arnold L. Rheingold; Charles G. Riordan","Structural Diversity in a Family of Copper(I) Thioether Complexes","Inorganic Chemistry","2001","40","","4276","4283","10.1021/ic010273a","","","0.71073","MoKα","","0.1088","0.0607","","0.1898","0.1284","","","","1.286","1.398","1.398","","","","","has coordinates","179304","2020-10-21","18:00:00","" "4320102","26.99","0.004","13.864","0.003","24.053","0.011","90","","109.54","0.03","90","","8482","5","250","2","250","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C48 H47 B Cu P S3 -","- C48 H47 B Cu P S3 -","- C384 H376 B8 Cu8 P8 S24 -","8","1","","Carl Ohrenberg; Louise M. Liable-Sands; Arnold L. Rheingold; Charles G. Riordan","Structural Diversity in a Family of Copper(I) Thioether Complexes","Inorganic Chemistry","2001","40","","4276","4283","10.1021/ic010273a","","","0.71073","MoKα","","0.0676","0.0461","","0.1267","0.1132","","","","1.028","1.061","1.061","","","","","has coordinates","179304","2020-10-21","18:00:00","" "4320103","12.06","0.006","19.686","0.024","16.979","0.016","90","","94.41","0.09","90","","4019","7","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C45 H41 B Cu P S3 -","- C45 H41 B Cu P S3 -","- C180 H164 B4 Cu4 P4 S12 -","4","1","","Carl Ohrenberg; Louise M. Liable-Sands; Arnold L. Rheingold; Charles G. Riordan","Structural Diversity in a Family of Copper(I) Thioether Complexes","Inorganic Chemistry","2001","40","","4276","4283","10.1021/ic010273a","","","0.71073","MoKα","","0.1142","0.0532","","0.1703","0.1285","","","","0.923","0.935","0.935","","","","","has coordinates","179304","2020-10-21","18:00:00","" "4320104","12.9902","0.0002","14.8748","0.0003","21.4937","0.0004","90","","90","","90","","4153.16","0.13","198","2","198","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C44 H50 B Cu P2 S2 -","- C44 H48 B Cu P2 S2 -","- C176 H192 B4 Cu4 P8 S8 -","4","1","","Carl Ohrenberg; Louise M. Liable-Sands; Arnold L. Rheingold; Charles G. Riordan","Structural Diversity in a Family of Copper(I) Thioether Complexes","Inorganic Chemistry","2001","40","","4276","4283","10.1021/ic010273a","","","0.71073","MoKα","","0.0837","0.0496","","0.1334","0.0996","","","","1.032","1.046","1.046","","","","","has coordinates,has disorder","179304","2020-10-21","18:00:00","" "4320105","11.1694","0.0002","11.8052","0.0002","21.8502","0.0004","90","","101.548","0.0008","90","","2822.78","0.09","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C30 H30 B Cu N2 S2 -","- C30 H30 B Cu N2 S2 -","- C120 H120 B4 Cu4 N8 S8 -","4","1","","Carl Ohrenberg; Louise M. Liable-Sands; Arnold L. Rheingold; Charles G. Riordan","Structural Diversity in a Family of Copper(I) Thioether Complexes","Inorganic Chemistry","2001","40","","4276","4283","10.1021/ic010273a","","","0.71073","MoKα","","0.1117","0.0531","","","0.0866","0.1057","","","","","","1.057","","","","has coordinates","179304","2020-10-21","18:00:00","" "4320106","20.294","0.003","19.784","0.002","24.974","0.003","90","","90","","90","","10027","2","293","2","293","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C61 H49 Cu N O3 P3 S -","- C61 H49 Cu N O3 P3 S -","- C488 H392 Cu8 N8 O24 P24 S8 -","8","1","","Larry R. Falvello; Julio Gomez; Isabel Pascual; Milagros Tomás; Esteban P. Urriolabeitia; Arthur J. Schultz","Saccharinate as a Versatile Polyfunctional Ligand. Four Distinct Coordination Modes, Misdirected Valence, and a Dominant Aggregate Structure from a Single Reaction System","Inorganic Chemistry","2001","40","","4455","4463","10.1021/ic010300x","","","0.71073","MoKα","","0.4021","0.104","","","0.1311","0.1984","","","","","","0.961","","","","has coordinates","179304","2020-10-21","18:00:00","" "4320107","13.3164","0.0002","14.1508","0.0002","23.6548","0.0004","80.8106","0.0009","86.3813","0.0008","78.8322","0.0008","4314.54","0.12","295","2","295","2","","","","","","","","8","P -1","-P 1","2","","","","- C43.75 H34 Cl2.25 Cu N O3 P2 S -","- C43.75 H34 Cl2.25 Cu N O3 P2 S -","- C175 H136 Cl9 Cu4 N4 O12 P8 S4 -","4","2","","Larry R. Falvello; Julio Gomez; Isabel Pascual; Milagros Tomás; Esteban P. Urriolabeitia; Arthur J. Schultz","Saccharinate as a Versatile Polyfunctional Ligand. Four Distinct Coordination Modes, Misdirected Valence, and a Dominant Aggregate Structure from a Single Reaction System","Inorganic Chemistry","2001","40","","4455","4463","10.1021/ic010300x","","","0.71073","MoKα","","0.1119","0.0709","","","0.1873","0.2152","","","","","","1.019","","","","has coordinates,has disorder","288183","2023-12-08","14:42:59","" "4320108","19.892","0.0013","16.6168","0.001","15.2411","0.0008","90","","90.561","0.008","90","","5037.6","0.5","293","2","293","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C51 H40 Cl2 Cu2 N2 O6 P2 S2 -","- C51 H40 Cl2 Cu2 N2 O6 P2 S2 -","- C204 H160 Cl8 Cu8 N8 O24 P8 S8 -","4","0.5","","Larry R. Falvello; Julio Gomez; Isabel Pascual; Milagros Tomás; Esteban P. Urriolabeitia; Arthur J. Schultz","Saccharinate as a Versatile Polyfunctional Ligand. Four Distinct Coordination Modes, Misdirected Valence, and a Dominant Aggregate Structure from a Single Reaction System","Inorganic Chemistry","2001","40","","4455","4463","10.1021/ic010300x","","","0.71073","MoKα","","0.0623","0.037","","","0.0876","0.0992","","","","","","1.031","","","","has coordinates,has disorder","179304","2020-10-21","18:00:00","" "4320109","7.374","0.003","12.775","0.003","10.327","0.003","90","","98.94","0.03","90","","961","0.5","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C14 H20 Cu N6 O6 S2 -","- C14 H20 Cu N6 O6 S2 -","- C28 H40 Cu2 N12 O12 S4 -","2","0.5","","Larry R. Falvello; Julio Gomez; Isabel Pascual; Milagros Tomás; Esteban P. Urriolabeitia; Arthur J. Schultz","Saccharinate as a Versatile Polyfunctional Ligand. Four Distinct Coordination Modes, Misdirected Valence, and a Dominant Aggregate Structure from a Single Reaction System","Inorganic Chemistry","2001","40","","4455","4463","10.1021/ic010300x","","","0.71073","MoKα","","0.4111","0.1042","","","0.1212","0.1967","","","","","","1.022","","","","has coordinates","179304","2020-10-21","18:00:00","" "4320110","7.045","0.001","10.578","0.002","13.967","0.003","98.05","0.03","92.39","0.03","99.08","0.03","1015.5","0.3","566","2","566","2","","","","","","","","6","P -1","-P 1","2","","","","- C14 H22 Cu N6 O7 S2 -","- C14 H22 Cu N6 O7 S2 -","- C28 H44 Cu2 N12 O14 S4 -","2","1","","Larry R. Falvello; Julio Gomez; Isabel Pascual; Milagros Tomás; Esteban P. Urriolabeitia; Arthur J. Schultz","Saccharinate as a Versatile Polyfunctional Ligand. Four Distinct Coordination Modes, Misdirected Valence, and a Dominant Aggregate Structure from a Single Reaction System","Inorganic Chemistry","2001","40","","4455","4463","10.1021/ic010300x","","","0.71073","MoKα","","0.0418","0.0296","","0.0716","0.0668","","","","1.045","1.079","1.079","","","","","has coordinates","179304","2020-10-21","18:00:00","" "4320111","6.998","0.001","10.528","0.002","13.881","0.002","97.55","0.02","92.46","0.02","99.35","0.02","998.2","0.3","20","2","20","2","","","","","","","","6","P -1","-P 1","2","","","","- C14 H22 Cu N6 O7 S2 -","- C14 H22 Cu N6 O7 S2 -","- C28 H44 Cu2 N12 O14 S4 -","2","1","","Larry R. Falvello; Julio Gomez; Isabel Pascual; Milagros Tomás; Esteban P. Urriolabeitia; Arthur J. Schultz","Saccharinate as a Versatile Polyfunctional Ligand. Four Distinct Coordination Modes, Misdirected Valence, and a Dominant Aggregate Structure from a Single Reaction System","Inorganic Chemistry","2001","40","","4455","4463","10.1021/ic010300x","","neutron","","neutron","","","0.098","","","0.049","","","","","","","","","","","has coordinates","179304","2020-10-21","18:00:00","" "4320112","13.3846","0.0013","25.797","0.002","28.513","0.003","90","","98.704","0.002","90","","9731.7","1.6","193","2","193","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C80 H82 Cl4 Co5 N34 O26 -","- C80 H72 Cl4 Co5 N34 O26 -","- C320 H288 Cl16 Co20 N136 O104 -","4","1","","Craig J. Matthews; Laurence K. Thompson; Stewart R. Parsons; Zhiqiang Xu; David O. Miller; Sarah L. Heath","Pentanuclear Homoleptic M5L6 (M = Mn(II), Co(II), Zn(II)) Complexes Formed by Strict Self-Assembly","Inorganic Chemistry","2001","40","","4448","4454","10.1021/ic010301p","","","0.71073","MoKα","","0.1577","0.0684","","","0.1648","0.2011","","","","","","0.888","","","","has coordinates","179304","2020-10-21","18:00:00","" "4320113","13.0897","0.0009","18.8894","0.0014","20.5061","0.0016","87.116","0.001","74.28","0.002","75.809","0.002","4731","0.6","193","2","193","2","","","","","","","","6","P -1","-P 1","2","","","","- C72 H74 Cl4 N30 O29 Zn5 -","- C72 H60 Cl4 N30 O29 Zn5 -","- C144 H120 Cl8 N60 O58 Zn10 -","2","1","","Craig J. Matthews; Laurence K. Thompson; Stewart R. Parsons; Zhiqiang Xu; David O. Miller; Sarah L. Heath","Pentanuclear Homoleptic M5L6 (M = Mn(II), Co(II), Zn(II)) Complexes Formed by Strict Self-Assembly","Inorganic Chemistry","2001","40","","4448","4454","10.1021/ic010301p","","","0.71073","MoKα","","0.1398","0.0649","","","0.1631","0.1941","","","","","","0.924","","","","has coordinates","179304","2020-10-21","18:00:00","" "4320114","14.8222","0.0007","21.408","0.001","21.6197","0.0009","90","","90.698","0.001","90","","6859.7","0.5","193","2","193","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C48 H65 N25 O31 Zn4 -","- C48 H65 N25 O31 Zn4 -","- C192 H260 N100 O124 Zn16 -","4","1","","Craig J. Matthews; Laurence K. Thompson; Stewart R. Parsons; Zhiqiang Xu; David O. Miller; Sarah L. Heath","Pentanuclear Homoleptic M5L6 (M = Mn(II), Co(II), Zn(II)) Complexes Formed by Strict Self-Assembly","Inorganic Chemistry","2001","40","","4448","4454","10.1021/ic010301p","","","0.71073","MoKα","","0.0669","0.0451","","","0.1323","0.1428","","","","","","0.931","","","","has coordinates","179304","2020-10-21","18:00:00","" "4320115","23.806","0.004","15.099","0.002","6.7593","0.001","90","","90","","90","","2429.6","0.6","298","2","298","2","","","","","","","","7","P n m a","-P 2ac 2n","62","","","","- C18 H35 Cl I N P2 Pt -","- C18 H35 Cl I N P2 Pt -","- C72 H140 Cl4 I4 N4 P8 Pt4 -","4","0.5","","Ana C. Albéniz; Virginia Calle; Pablo Espinet; Sandra Gómez","The Origin of Hindered Rotation around the Pt-N Bond in Platinum Amides","Inorganic Chemistry","2001","40","","4211","4216","10.1021/ic010317f","","","0.71073","MoKα","","0.0179","0.0158","","","0.041","0.0419","","","","","","1.064","","","","has coordinates","179304","2020-10-21","18:00:00","" "4320116","12.215","0.003","8.078","0.002","13.052","0.004","90","","90.057","0.006","90","","1287.9","0.6","300","2","300","2","","","","","","","","7","P 1 n 1","P -2yac","7","","","","- C18 H34 Cl2 N2 O2 P2 Pt -","- C18 H34 Cl2 N2 O2 P2 Pt -","- C36 H68 Cl4 N4 O4 P4 Pt2 -","2","1","","Ana C. Albéniz; Virginia Calle; Pablo Espinet; Sandra Gómez","The Origin of Hindered Rotation around the Pt-N Bond in Platinum Amides","Inorganic Chemistry","2001","40","","4211","4216","10.1021/ic010317f","","","0.71073","MoKα","","0.0522","0.0439","","","0.1293","0.1365","","","","","","1.074","","","","has coordinates","179304","2020-10-21","18:00:00","" "4320117","8.4196","0.0005","10.0559","0.0006","12.0154","0.0007","93.87","0.001","99.104","0.001","104.963","0.001","964.15","0.1","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C6 H16 Mg N6 O6 S6 -","- C6 H16 Mg N6 O6 S6 -","- C12 H32 Mg2 N12 O12 S12 -","2","1","","Kevin R. Henke; Aaron R. Hutchison; Matthew K. Krepps; Sean Parkin; David A. Atwood","Chemistry of 2,4,6-Trimercapto-1,3,5-triazine (TMT): Acid Dissociation Constants and Group 2 Complexes","Inorganic Chemistry","2001","40","","4443","4447","10.1021/ic0103188","","","0.71073","MoKα","","0.0479","0.0407","","","0.107","0.1113","","","","","","1.099","","","","has coordinates","179304","2020-10-21","18:00:00","" "4320118","8.882","0.0018","10.941","0.002","11.666","0.002","69.42","0.03","80.78","0.03","80.89","0.03","1041.2","0.4","173","1","173","1","","","","","","","","6","P -1","-P 1","2","","","","- C6 H18 Ba N6 O7 S6 -","- C6 H18 Ba N6 O7 S6 -","- C12 H36 Ba2 N12 O14 S12 -","2","1","","Kevin R. Henke; Aaron R. Hutchison; Matthew K. Krepps; Sean Parkin; David A. Atwood","Chemistry of 2,4,6-Trimercapto-1,3,5-triazine (TMT): Acid Dissociation Constants and Group 2 Complexes","Inorganic Chemistry","2001","40","","4443","4447","10.1021/ic0103188","","","0.71073","MoKα","","0.0409","0.0302","","","0.0631","0.0671","","","","","","1.038","","","","has coordinates","189193","2020-10-21","18:00:00","" "4320119","8.526","0.001","17.237","0.003","6.796","0.002","90","","93.149","0.01","90","","997.3","0.4","173","1","173","1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C3 H7 Ba N3 O3 S3 -","- C3 H7 Ba N3 O3 S3 -","- C12 H28 Ba4 N12 O12 S12 -","4","1","","Kevin R. Henke; Aaron R. Hutchison; Matthew K. Krepps; Sean Parkin; David A. Atwood","Chemistry of 2,4,6-Trimercapto-1,3,5-triazine (TMT): Acid Dissociation Constants and Group 2 Complexes","Inorganic Chemistry","2001","40","","4443","4447","10.1021/ic0103188","","","0.71073","MoKα","","0.0253","0.0202","","","0.0411","0.0426","","","","","","1.062","","","","has coordinates","179304","2020-10-21","18:00:00","" "4320120","11.755","0.001","21.87","0.002","5.919","0.001","90","","90","","90","","1521.7","0.3","293.2","","293.2","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C10 H19 N2 O5 Re S2 -","- C10 H18 N2 O5 Re S2 -","- C40 H72 N8 O20 Re4 S8 -","4","1","","Takumi Konno; Yuichi Shimazaki; Masayuki Kawai; Masakazu Hirotsu","Synthesis, Characterization, and Stereochemistry of Oxorhenium(V) Complexes with 2-Aminoethanethiolate","Inorganic Chemistry","2001","40","","4250","4256","10.1021/ic010326o","","","0.7107","MoKα","","","0.0268","","","0.0221","","","","","1.819","1.819","","","","","has coordinates","176467","2020-10-21","18:00:00","" "4320121","9.621","0.001","9.6206","","12.911","0.001","90","","90","","90","","1195.04","0.15","296.2","","296.2","","","","","","","","","6","P 43","P 4cw","78","","","","- C7 H15 N2 O3 Re S2 -","- C7 H15 N2 O3 Re S2 -","- C28 H60 N8 O12 Re4 S8 -","4","1","","Takumi Konno; Yuichi Shimazaki; Masayuki Kawai; Masakazu Hirotsu","Synthesis, Characterization, and Stereochemistry of Oxorhenium(V) Complexes with 2-Aminoethanethiolate","Inorganic Chemistry","2001","40","","4250","4256","10.1021/ic010326o","","","0.7107","MoKα","","0.0194","0.0194","","","0.021","0.021","","","","","","0.719","","","","has coordinates","176467","2020-10-21","18:00:00","" "4320122","6.839","0.001","10.0704","0.0006","14.1075","0.0008","90","","91.729","0.008","90","","971.16","0.16","291.2","","291.2","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C4 H12 Cl N2 O Re S2 -","- C4 H12 Cl N2 O Re S2 -","- C16 H48 Cl4 N8 O4 Re4 S8 -","4","1","","Takumi Konno; Yuichi Shimazaki; Masayuki Kawai; Masakazu Hirotsu","Synthesis, Characterization, and Stereochemistry of Oxorhenium(V) Complexes with 2-Aminoethanethiolate","Inorganic Chemistry","2001","40","","4250","4256","10.1021/ic010326o","","","0.7107","MoKα","","","0.0263","","","0.0253","","","","","1.525","1.525","","","","","has coordinates","176467","2020-10-21","18:00:00","" "4320123","11.938","0.003","12.366","0.003","5.819","0.001","102.71","0.02","101.28","0.02","75.41","0.02","802","0.3","291.2","","291.2","","","","","","","","","7","P -1","-P 1","2","","","","- C6 H20 Cl2 N3 O Re S3 -","- C6 H20 Cl2 N3 O Re S3 -","- C12 H40 Cl4 N6 O2 Re2 S6 -","2","1","","Takumi Konno; Yuichi Shimazaki; Masayuki Kawai; Masakazu Hirotsu","Synthesis, Characterization, and Stereochemistry of Oxorhenium(V) Complexes with 2-Aminoethanethiolate","Inorganic Chemistry","2001","40","","4250","4256","10.1021/ic010326o","","","0.7107","MoKα","","","0.0207","","","0.0272","","","","","1.255","1.255","","","","","has coordinates","176467","2020-10-21","18:00:00","" "4320124","11.1","0.001","19.096","0.002","13.722","0.002","90","","95.37","0.01","90","","2895.8","0.6","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C18 H33 N4 O13 P2 Yb -","- C18 H33 N4 O13 P2 Yb -","- C72 H132 N16 O52 P8 Yb4 -","4","1","","Xin-Min Gan; Eileen N. Duesler; Robert T. Paine","Synthesis and Coordination Properties of New Bis(phosphinomethyl)pyridine N,P,P'-Trioxides","Inorganic Chemistry","2001","40","","4420","4427","10.1021/ic0103493","","","0.71073","MoKα","","0.0432","0.0288","","0.0627","0.0611","","","","1.069","1.228","1.228","","","","","has coordinates","179304","2020-10-21","18:00:00","" "4320125","15.133","0.004","15.93","0.003","19.947","0.005","68.35","0.02","68.54","0.01","81.42","0.02","4159","1.8","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C72 H78 N6 Nd O17.5 P4 -","- C72 H73 N6 Nd O17.5 P4 -","- C144 H146 N12 Nd2 O35 P8 -","2","1","","Xin-Min Gan; Eileen N. Duesler; Robert T. Paine","Synthesis and Coordination Properties of New Bis(phosphinomethyl)pyridine N,P,P'-Trioxides","Inorganic Chemistry","2001","40","","4420","4427","10.1021/ic0103493","","","0.71073","MoKα","","0.1082","0.0624","","0.1823","0.1654","","","","1.001","1.282","1.282","","","","","has coordinates,has disorder","179304","2020-10-21","18:00:00","" "4320126","25.087","0.004","13.5634","0.0014","10.4377","0.0015","90","","90","","90","","3551.6","0.8","293","2","293","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C33 H31 Er N4 O12 P2 -","- C33 H31 Er N4 O12 P2 -","- C132 H124 Er4 N16 O48 P8 -","4","1","","Xin-Min Gan; Eileen N. Duesler; Robert T. Paine","Synthesis and Coordination Properties of New Bis(phosphinomethyl)pyridine N,P,P'-Trioxides","Inorganic Chemistry","2001","40","","4420","4427","10.1021/ic0103493","","","0.71073","MoKα","","0.0525","0.0369","","0.0843","0.082","","","","1.058","1.226","1.226","","","","","has coordinates","179304","2020-10-21","18:00:00","" "4320127","24.766","0.007","13.696","0.003","10.532","0.002","90","","90","","90","","3572.4","1.4","293","2","293","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C33 H31 N4 Nd O12 P2 -","- C33 H31 N4 Nd O12 P2 -","- C132 H124 N16 Nd4 O48 P8 -","4","1","","Xin-Min Gan; Eileen N. Duesler; Robert T. Paine","Synthesis and Coordination Properties of New Bis(phosphinomethyl)pyridine N,P,P'-Trioxides","Inorganic Chemistry","2001","40","","4420","4427","10.1021/ic0103493","","","0.71073","MoKα","","0.0407","0.0307","","0.0638","0.0625","","","","1.003","1.108","1.108","","","","","has coordinates","179304","2020-10-21","18:00:00","" "4320128","7.2512","0.0007","4.438","0.0005","16.9018","0.0017","90","","90","","90","","543.91","0.1","223","2","296","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- Ca2 Ge2 In Li -","- Ca2 Ge2 In Li -","- Ca8 Ge8 In4 Li4 -","4","0.5","","Jiang-Gao Mao; Zhihong Xu; Arnold M. Guloy","Synthesis and Crystal Structure of Ae2LiInGe2 (Ae = Ca, Sr): New Zintl Phases with a Layered Silicate-like Network","Inorganic Chemistry","2001","40","","4472","4477","10.1021/ic0103805","","","0.71073","MoKα","","0.0201","0.0187","","","0.0464","0.0464","","","","","","1.015","","","","has coordinates","179304","2020-10-21","18:00:00","" "4320129","7.5033","0.0008","4.6194","0.0005","17.473","0.002","90","","90","","90","","605.63","0.12","293","2","293","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- Ge2 In Li Sr2 -","- Ge2 In Li Sr2 -","- Ge8 In4 Li4 Sr8 -","4","0.5","","Jiang-Gao Mao; Zhihong Xu; Arnold M. Guloy","Synthesis and Crystal Structure of Ae2LiInGe2 (Ae = Ca, Sr): New Zintl Phases with a Layered Silicate-like Network","Inorganic Chemistry","2001","40","","4472","4477","10.1021/ic0103805","","","0.71073","MoKα","","0.047","0.027","","0.066","0.0546","","","","1.202","1.134","1.134","","","","","has coordinates","179304","2020-10-21","18:00:00","" "4320130","12.593","0.003","12.969","0.003","16.715","0.003","98.86","0.03","101.15","0.03","95.88","0.03","2621.6","1.1","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C56 H64 Fe2 N7 O8 -","- C56 H64 Fe2 N7 O8 -","- C112 H128 Fe4 N14 O16 -","2","1","","Catalina Achim; Emile L. Bominaar; Richard J. Staples; Eckard Münck; R. H. Holm","Influence of Extrinsic Factors on Electron Transfer in a Mixed-Valence Fe2+/Fe3+ Complex: Experimental Results and Theoretical Considerations","Inorganic Chemistry","2001","40","","4389","4403","10.1021/ic010498l","","","0.71073","MoKα","","0.0641","0.0539","","","0.1405","0.1456","","","","","","1.181","","","","has coordinates","179304","2020-10-21","18:00:00","" "4320131","10.873","0.002","12.179","0.002","21.544","0.004","76.36","0.03","86.04","0.03","69.35","0.03","2594","1","153","2","153","2","","","","","","","","5","P -1","-P 1","2","","","","- C56 H59 Fe2 N8 O6 -","- C56.016 H50 Fe2 N8 O6 -","- C112.032 H100 Fe4 N16 O12 -","2","1","","Catalina Achim; Emile L. Bominaar; Richard J. Staples; Eckard Münck; R. H. Holm","Influence of Extrinsic Factors on Electron Transfer in a Mixed-Valence Fe2+/Fe3+ Complex: Experimental Results and Theoretical Considerations","Inorganic Chemistry","2001","40","","4389","4403","10.1021/ic010498l","","","0.71073","MoKα","","0.0705","0.0516","","","0.1433","0.1525","","","","","","1.062","","","","has coordinates,has disorder","179304","2020-10-21","18:00:00","" "4320132","10.9045","0.0002","12.214","0.0002","21.678","0.0009","76.298","0.001","85.948","0.001","69.354","0.001","2624.66","0.13","213","2","213","2","","","","","","","","5","P -1","-P 1","2","","","","- C56 H59 Fe2 N8 O6 -","- C55.984 H50 Fe2 N8 O6 -","- C111.968 H100 Fe4 N16 O12 -","2","1","","Catalina Achim; Emile L. Bominaar; Richard J. Staples; Eckard Münck; R. H. Holm","Influence of Extrinsic Factors on Electron Transfer in a Mixed-Valence Fe2+/Fe3+ Complex: Experimental Results and Theoretical Considerations","Inorganic Chemistry","2001","40","","4389","4403","10.1021/ic010498l","","","0.71073","MoKα","","0.0754","0.0519","","","0.145","0.1569","","","","","","1.056","","","","has coordinates,has disorder","179304","2020-10-21","18:00:00","" "4320133","10.901","0.002","12.203","0.002","21.719","0.004","76.25","0.03","85.68","0.03","69.22","0.03","2623.7","1","243","2","243","2","","","","","","","","5","P -1","-P 1","2","","","","- C56 H59 Fe2 N8 O6 -","- C55.966 H50 Fe2 N7.998 O6 -","- C111.932 H100 Fe4 N15.996 O12 -","2","1","","Catalina Achim; Emile L. Bominaar; Richard J. Staples; Eckard Münck; R. H. Holm","Influence of Extrinsic Factors on Electron Transfer in a Mixed-Valence Fe2+/Fe3+ Complex: Experimental Results and Theoretical Considerations","Inorganic Chemistry","2001","40","","4389","4403","10.1021/ic010498l","","","0.71073","MoKα","","0.0827","0.0691","","","0.1901","0.2056","","","","","","1.043","","","","has coordinates,has disorder","179304","2020-10-21","18:00:00","" "4320134","10.9196","0.0008","12.2643","0.0008","21.8326","0.0015","76.2412","0.0014","85.403","0.0012","69.2125","0.0012","2655","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C56 H59 Fe2 N8 O6 -","- C55.983 H50 Fe2 N7.999 O6 -","- C111.966 H100 Fe4 N15.998 O12 -","2","1","","Catalina Achim; Emile L. Bominaar; Richard J. Staples; Eckard Münck; R. H. Holm","Influence of Extrinsic Factors on Electron Transfer in a Mixed-Valence Fe2+/Fe3+ Complex: Experimental Results and Theoretical Considerations","Inorganic Chemistry","2001","40","","4389","4403","10.1021/ic010498l","","","0.71073","MoKα","","0.0924","0.0628","","","0.1766","0.2035","","","","","","1.031","","","","has coordinates,has disorder","179304","2020-10-21","18:00:00","" "4320135","8.2265","0.0001","12.5313","0.0001","15.3587","0.0003","90","","90","","90","","1583.31","0.04","173","2","173","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C12 H27 Br0.8 Cl1.2 Cu N3 -","- C12 H27 Br0.8 Cl1.2 Cu N3 -","- C48 H108 Br3.2 Cl4.8 Cu4 N12 -","4","0.5","","Gyungse Park; Junlong Shao; Frances H. Lu; Robin D. Rogers; N. Dennis Chasteen; Martin W. Brechbiel; Roy P. Planalp","Copper(II) Complexes of Novel N-Alkylated Derivatives of cis,cis-1,3,5-Triaminocyclohexane. 1. Preparation and Structure","Inorganic Chemistry","2001","40","","4167","4175","10.1021/ic000829e","","","0.71073","MoKα","","0.0596","0.0413","","0.1","0.09","","","","1.07","1.11","1.11","","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00","" "4320136","13.49","0.006","11.841","0.005","19.602","0.006","90","","103.79","0.03","90","","3041","2","290.2","","290.2","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C13 H21 O2 P Pd S -","- C13 H21 O2 P Pd S -","- C104 H168 O16 P8 Pd8 S8 -","8","1","","J. Cámpora; J. A. López; P. Palma; D. del Rio; E. Carmona; P. Valerga; C. Graiff; A. Tiripicchio","Synthesis and Insertion Reactions of the Cyclometalated Palladium-Alkyl Complexes Pd(CH2CMe2-o-C6H4)L2. Observation of a Pentacoordinated Intermediate in the Insertion of SO2","Inorganic Chemistry","2001","40","","4116","4126","10.1021/ic010114r","","","0.7107","MoKalpha","","","0.0356","","","0.0445","","","","","1.53","1.53","","","","","has coordinates","176467","2020-10-21","18:00:00","" "4320137","16.6167","0.0009","16.6167","0.0009","6.8101","0.0002","90","","90","","120","","1628.45","0.13","180.2","","180.2","","","","","","","","","5","P -3","-P 3","147","","","","- C21 H48 N3 O18 V -","- C21 H48 N3 O18 V0.333 -","- C42 H96 N6 O36 V0.666 -","2","0.333333","","Marco Melchior; Steven J. Rettig; Barry D. Liboiron; Katherine H. Thompson; Violet G. Yuen; John H. McNeill; Chris Orvig","Insulin-Enhancing Vanadium(III) Complexes","Inorganic Chemistry","2001","40","","4686","4690","10.1021/ic000984t","","","0.7107","MoKα","","0.0857","0.058","","0.1267","","0.064","","","1.741","","","1.741","","","","has coordinates","176467","2020-10-21","18:00:00","" "4320138","11.5294","0.0001","22.3588","0.0005","16.0706","0.0003","90","","97.996","0.0003","90","","4102.46","0.12","293","2","293","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C88 H92 Cl2 N2 O8 P6 Pd2 -","- C88 H92 Cl2 N2 O8 P6 Pd2 -","- C176 H184 Cl4 N4 O16 P12 Pd4 -","2","0.5","","Margarita López-Torres; Alberto Fernández; Jesús J. Fernández; Antonio Suárez; M Teresa Pereira; Juan M. Ortigueira; José M. Vila; H. Adams","Mono- and Dinuclear Five-coordinate Cyclometalated Palladium(II) Compounds","Inorganic Chemistry","2001","40","","4583","4587","10.1021/ic001094g","","","0.71073","MoKα","","0.0802","0.0473","","","0.102","0.1173","","","","","","1.062","","","","has coordinates,has disorder","288183","2023-12-08","14:42:59","" "4320139","13.527","0.006","17.542","0.005","20.1","0.006","98.71","0.01","97.73","0.03","100.22","0.02","4575","3","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C47 H44.5 Cl2.5 N2 O4.5 P3 Pd -","- C47 H44.5 Cl2.5 N2 O4.5 P3 Pd -","- C188 H178 Cl10 N8 O18 P12 Pd4 -","4","2","","Margarita López-Torres; Alberto Fernández; Jesús J. Fernández; Antonio Suárez; M Teresa Pereira; Juan M. Ortigueira; José M. Vila; H. Adams","Mono- and Dinuclear Five-coordinate Cyclometalated Palladium(II) Compounds","Inorganic Chemistry","2001","40","","4583","4587","10.1021/ic001094g","","","0.71073","MoKα","","0.1139","0.0677","","0.1987","0.1652","","","","1.022","1.082","1.082","","","","","has coordinates","176467","2020-10-21","18:00:00","" "4320140","18.058","0.006","12.896","0.006","21.464","0.005","90","","98.47","0.02","90","","4944","3","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C49 H50 Cl4 N O5 P3 Pd -","- C49 H50 Cl4 N O5 P3 Pd -","- C196 H200 Cl16 N4 O20 P12 Pd4 -","4","1","","Margarita López-Torres; Alberto Fernández; Jesús J. Fernández; Antonio Suárez; M Teresa Pereira; Juan M. Ortigueira; José M. Vila; H. Adams","Mono- and Dinuclear Five-coordinate Cyclometalated Palladium(II) Compounds","Inorganic Chemistry","2001","40","","4583","4587","10.1021/ic001094g","","","0.71073","MoKα","","0.11","0.0576","","","0.1215","0.1443","","","","","","1.01","","","","has coordinates","179304","2020-10-21","18:00:00","" "4320141","10.7398","0.0009","15.8121","0.0013","12.3259","0.001","90","","114.738","0.001","90","","1901.1","0.3","293","2","293","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C16 H42 Ge9 K4 N6 O4 -","- C16 H28 Ge9 K4 N6 O4 -","- C32 H56 Ge18 K8 N12 O8 -","2","0.5","","Craig Downie; Jiang-Gao Mao; Arnold M. Guloy","Synthesis and Structure of [K±(2,2)diaza-[18]-crown-6][K3Ge9].2Ethylenediamine: Stabilization of the Two-Dimensional Layer 2\ιnfty[K3Ge91-]","Inorganic Chemistry","2001","40","","4721","4725","10.1021/ic001107q","","","0.71073","MoKα","","0.041","0.0318","","0.0898","0.0842","","","","1.024","1.053","1.053","","","","","has coordinates,has disorder","179304","2020-10-21","18:00:00","" "4320142","17.528","0.004","13.891","0.003","13.882","0.003","90","","90.45","0.03","90","","3379.9","1.3","200","2","200","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H46 Cu2 P4 Te2 -","- C24 H46 Cu2 P4 Te2 -","- C96 H184 Cu8 P16 Te8 -","4","1","","Marty W. DeGroot; Michael W. Cockburn; Mark S. Workentin; John F. Corrigan","Trialkylphosphine-Stabilized Copper-Phenyltellurolate Complexes: From Small Molecules to Nanoclusters via Condensation Reactions","Inorganic Chemistry","2001","40","","4678","4685","10.1021/ic001260k","","","0.71073","MoKα","","0.048","0.0394","","","0.1069","0.1127","","","","","","1.081","","","","has coordinates","179304","2020-10-21","18:00:00","" "4320143","11.701","0.001","20.502","0.002","25.555","0.003","90","","102.299","0.009","90","","5989.8","1.1","200","2","200","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C51 H83 Cu4 P3 Te4 -","- C51 H83 Cu4 P3 Te4 -","- C204 H332 Cu16 P12 Te16 -","4","1","","Marty W. DeGroot; Michael W. Cockburn; Mark S. Workentin; John F. Corrigan","Trialkylphosphine-Stabilized Copper-Phenyltellurolate Complexes: From Small Molecules to Nanoclusters via Condensation Reactions","Inorganic Chemistry","2001","40","","4678","4685","10.1021/ic001260k","","","0.71073","MoKα","","0.0323","0.0288","","","0.0746","0.0778","","","","","","1.098","","","","has coordinates","179304","2020-10-21","18:00:00","" "4320144","17.48","0.001","14.552","0.001","30.403","0.002","90","","91.99","0.01","90","","7728.9","0.9","200","2","200","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C66 H95 Cu5 P4 Te6 -","- C66 Cu5 P4 Te6 -","- C264 Cu20 P16 Te24 -","4","1","","Marty W. DeGroot; Michael W. Cockburn; Mark S. Workentin; John F. Corrigan","Trialkylphosphine-Stabilized Copper-Phenyltellurolate Complexes: From Small Molecules to Nanoclusters via Condensation Reactions","Inorganic Chemistry","2001","40","","4678","4685","10.1021/ic001260k","","","0.71073","MoKα","","0.0901","0.0472","","","0.1072","0.1206","","","","","","0.875","","","","has coordinates,has disorder","179304","2020-10-21","18:00:00","" "4320145","15.345","0.001","15.345","0.001","24.412","0.002","90","","90","","120","","4978.1","0.6","200","2","200","2","","","","","","","","5","P -3 1 c","-P 3 2c","163","","","","- C72 H120 Cu12 P6 Te9 -","- C72 H120 Cu12 P6 Te9 -","- C144 H240 Cu24 P12 Te18 -","2","0.166667","","Marty W. DeGroot; Michael W. Cockburn; Mark S. Workentin; John F. Corrigan","Trialkylphosphine-Stabilized Copper-Phenyltellurolate Complexes: From Small Molecules to Nanoclusters via Condensation Reactions","Inorganic Chemistry","2001","40","","4678","4685","10.1021/ic001260k","","","0.71073","MoKα","","0.0717","0.056","","","0.1445","0.1552","","","","","","1.039","","","","has coordinates,has disorder","179304","2020-10-21","18:00:00","" "4320146","19.83","0.003","18.193","0.002","30.101","0.004","90","","100.28","0.02","90","","10685","3","200","2","200","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C132 H200 Cu29 P9 Te21 -","- C132 Cu29 P9 Te21 -","- C264 Cu58 P18 Te42 -","2","1","","Marty W. DeGroot; Michael W. Cockburn; Mark S. Workentin; John F. Corrigan","Trialkylphosphine-Stabilized Copper-Phenyltellurolate Complexes: From Small Molecules to Nanoclusters via Condensation Reactions","Inorganic Chemistry","2001","40","","4678","4685","10.1021/ic001260k","","","0.71073","MoKα","","0.093","0.0836","","","0.2237","0.231","","","","","","1.112","","","","has coordinates,has disorder","179304","2020-10-21","18:00:00","" "4320147","19.6195","0.0002","20.6286","0.0003","32.1828","0.0005","87.518","0.008","88.547","0.008","64.092","0.008","11704.8","0.8","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","","","- C144 H250 Cu39 P13 Te27 -","- C144 Cu39 P13 Te27 -","- C288 Cu78 P26 Te54 -","2","1","","Marty W. DeGroot; Michael W. Cockburn; Mark S. Workentin; John F. Corrigan","Trialkylphosphine-Stabilized Copper-Phenyltellurolate Complexes: From Small Molecules to Nanoclusters via Condensation Reactions","Inorganic Chemistry","2001","40","","4678","4685","10.1021/ic001260k","","","0.71073","MoKα","","0.1305","0.0644","","","0.1491","0.1698","","","","","","1.042","","","","has coordinates,has disorder","179304","2020-10-21","18:00:00","" "4320148","16.378","0.003","7.3323","0.0006","19.431","0.003","90","","90","","90","","2333.4","0.6","293","","293","","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C6 H16 Cl3.5 Fe0.5 N2 O -","- C6 H16 Cl3.5 Fe0.5 N2 O -","- C48 H128 Cl28 Fe4 N16 O8 -","8","1","","Bruce D. James; Margarita Bakalova; John Liesegang; William Michael Reiff; Brian W. Skelton; Allan H. White","Isolation and Detailed Characterization of the trans-[(H2O)2FeCl4]- Anion: Stabilization of Novel Iron(III) Species by Large Organic Cations","Inorganic Chemistry","2001","40","","4617","4622","10.1021/ic001264p","","","0.71073","MoKα","","0.061","0.046","","0.047","","0.046","","","1.49","","","1.888","","","","has coordinates","176432","2020-10-21","18:00:00","" "4320149","14.531","0.006","10.772","0.004","6.888","0.002","90","","90","","90","","1078.2","0.7","293","","293","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C2 H12 Cl5 Fe N2 O -","- C2 H12 Cl5 Fe N2 O -","- C8 H48 Cl20 Fe4 N8 O4 -","4","1","","Bruce D. James; Margarita Bakalova; John Liesegang; William Michael Reiff; Brian W. Skelton; Allan H. White","Isolation and Detailed Characterization of the trans-[(H2O)2FeCl4]- Anion: Stabilization of Novel Iron(III) Species by Large Organic Cations","Inorganic Chemistry","2001","40","","4617","4622","10.1021/ic001264p","","","0.71073","MoKα","","0.054","0.033","","0.037","","0.032","","","1.338","","","1.388","","","","has coordinates","176432","2020-10-21","18:00:00","" "4320150","10.9073","0.0004","15.7885","0.0006","13.9406","0.0005","90","","101.206","","90","","2354.94","0.15","113","","113","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C36 H48 Br4 Mn4 N6 O12 -","- C36 H48 Br4 Mn4 N6 O12 -","- C72 H96 Br8 Mn8 N12 O24 -","2","0.5","","Jae Yoo; Akira Yamaguchi; Motohiro Nakano; J. Krzystek; William E. Streib; Louis-Claude Brunel; Hidehiko Ishimoto; George Christou; David N. Hendrickson","Mixed-Valence Tetranuclear Manganese Single-Molecule Magnets","Inorganic Chemistry","2001","40","","4604","4616","10.1021/ic0012928","","","0.71073","MoKα","","","0.0305","","","","0.025","","","","","","1.0691","","","","has coordinates,has disorder","179304","2020-10-21","18:00:00","" "4320151","17.0852","0.0004","20.8781","0.0005","14.1835","0.0003","90","","90.5495","0.0008","90","","5059.1","0.2","113","","113","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C42 H56 Cl4 Mn4 N6 O10 -","- C42 H48 Cl4 Mn4 N6 O10 -","- C168 H192 Cl16 Mn16 N24 O40 -","4","0.5","","Jae Yoo; Akira Yamaguchi; Motohiro Nakano; J. Krzystek; William E. Streib; Louis-Claude Brunel; Hidehiko Ishimoto; George Christou; David N. Hendrickson","Mixed-Valence Tetranuclear Manganese Single-Molecule Magnets","Inorganic Chemistry","2001","40","","4604","4616","10.1021/ic0012928","","","0.71073","MoKα","","","0.0384","","","","0.0434","","","","","","0.9799","","","","has coordinates,has disorder","179304","2020-10-21","18:00:00","" "4320152","20.602","0.001","14.5887","0.0006","14.2907","0.0009","90","","106.227","0.004","90","","4124.1","0.4","294","","294","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","L1Fe(III)Cl3","L1Fe(III)Cl3","","- C18 H17 Br Cl3 Fe N4 -","- C18 H17 Br Cl3 Fe N4 -","- C144 H136 Br8 Cl24 Fe8 N32 -","8","1","","Dominique Mandon; Agathe Nopper; Thomas Litrol; Sandrine Goetz","Tridentate Coordination of Monosubstituted Derivatives of the Tris(2-pyridylmethyl)amine Ligand to FeCl3: Structures and Spectroscopic Properties of ((2-Bromopyridyl)methyl)bis- (2-pyridylmethyl)amine FeIIICl3 and (((2-p- Methoxyphenyl)pyridyl)methyl)Bis(2-pyridyl- methyl)]amine FeIIICl3 and Comparison with the Bis(2-pyridylmethyl)]amine FeIIICl3 Complex","Inorganic Chemistry","2001","40","","4803","4806","10.1021/ic001339p","","","0.71073","Mo-Kα","","0.066","0.033","","0.117","0.048","","","","2.433","1.004","1.004","","","","","has coordinates","176467","2020-10-21","18:00:00","" "4320153","21.9206","0.0006","7.95","0.0002","15.2009","0.0004","90","","109.39","0.01","90","","2498.79","0.19","173","","173","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","L2Fe(III)Cl3","L2Fe(III)Cl3","","- C25 H24 Cl3 Fe N4 O -","- C25 H24 Cl3 Fe N4 O -","- C100 H96 Cl12 Fe4 N16 O4 -","4","1","","Dominique Mandon; Agathe Nopper; Thomas Litrol; Sandrine Goetz","Tridentate Coordination of Monosubstituted Derivatives of the Tris(2-pyridylmethyl)amine Ligand to FeCl3: Structures and Spectroscopic Properties of ((2-Bromopyridyl)methyl)bis- (2-pyridylmethyl)amine FeIIICl3 and (((2-p- Methoxyphenyl)pyridyl)methyl)Bis(2-pyridyl- methyl)]amine FeIIICl3 and Comparison with the Bis(2-pyridylmethyl)]amine FeIIICl3 Complex","Inorganic Chemistry","2001","40","","4803","4806","10.1021/ic001339p","","","0.71073","Mo-Kα","","0.1","0.039","","0.093","","0.055","","","1.748","","","1.082","","","","has coordinates","176467","2020-10-21","18:00:00","" "4320154","15.6038","0.0008","8.4742","0.0007","22.751","0.001","90","","90","","90","","3008.4","0.3","294","","294","","","","","","","","","5","P n a 21","P 2c -2n","33","L3Fe(III)Cl3","L3Fe(III)Cl3","","- C12 H13 Cl3 Fe N3 -","- C12 H13 Cl3 Fe N3 -","- C96 H104 Cl24 Fe8 N24 -","8","2","","Dominique Mandon; Agathe Nopper; Thomas Litrol; Sandrine Goetz","Tridentate Coordination of Monosubstituted Derivatives of the Tris(2-pyridylmethyl)amine Ligand to FeCl3: Structures and Spectroscopic Properties of ((2-Bromopyridyl)methyl)bis- (2-pyridylmethyl)amine FeIIICl3 and (((2-p- Methoxyphenyl)pyridyl)methyl)Bis(2-pyridyl- methyl)]amine FeIIICl3 and Comparison with the Bis(2-pyridylmethyl)]amine FeIIICl3 Complex","Inorganic Chemistry","2001","40","","4803","4806","10.1021/ic001339p","","","0.71073","Mo-Kα","","0.07","0.028","","0.085","0.033","","","","2.464","1.022","1.022","","","","","has coordinates","176432","2020-10-21","18:00:00","" "4320155","13.537","0.003","11.077","0.002","19.941","0.007","90","","90.19","0.03","90","","2990.1","1.4","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C23 H26 B Co2 F4 N7 O7 -","- C23 H20 B Co2 F4 N7 O7 -","- C92 H80 B4 Co8 F16 N28 O28 -","4","1","","Zurine E. Serna; M. Karmele Urtiaga; M. Gotzone Barandika; Roberto Cortés; Susana Martin; Luis Lezama; M. Isabel Arriortua; Teófilo Rojo","Dicubane-like Tetrameric Cobalt(II)-Pseudohalide Ferromagnetic Clusters","Inorganic Chemistry","2001","40","","4550","4555","10.1021/ic0013476","","","0.7107","MoKα","","0.1359","0.0634","","","0.1559","0.1768","","","","","","0.895","","","","has coordinates","179304","2020-10-21","18:00:00","" "4320156","13.0395","0.0013","12.3033","0.0013","19.3648","0.0015","90","","122.575","0.009","90","","2618","0.5","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C25 H20 Co2 N6 O6 -","- C25 H20 Co2 N6 O6 -","- C100 H80 Co8 N24 O24 -","4","1","","Zurine E. Serna; M. Karmele Urtiaga; M. Gotzone Barandika; Roberto Cortés; Susana Martin; Luis Lezama; M. Isabel Arriortua; Teófilo Rojo","Dicubane-like Tetrameric Cobalt(II)-Pseudohalide Ferromagnetic Clusters","Inorganic Chemistry","2001","40","","4550","4555","10.1021/ic0013476","","","0.7107","MoKα","","0.2125","0.0581","","","0.0981","0.1352","","","","","","0.799","","","","has coordinates","179304","2020-10-21","18:00:00","" "4320157","7.9234","0.0009","22.002","0.004","19.786","0.003","90","","96.395","0.014","90","","3427.8","0.9","173","2","173","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C34 H42 B F4 Ir3 N2 S4 -","- C34 H42 B F4 Ir3 N2 S4 -","- C136 H168 B4 F16 Ir12 N8 S16 -","4","1","","Miguel A. Casado; Jesús J. Pérez-Torrente; José A. López; Miguel A. Ciriano; Pablo J. Alonso; Fernando J. Lahoz; Luis A. Oro","Synthesis of Paramagnetic Tetranuclear Rhodium and Iridium Complexes with the 2,6-Pyridinedithiolate Ligand. Redox-Induced Degradation to Diamagnetic Triiridium Compounds","Inorganic Chemistry","2001","40","","4785","4792","10.1021/ic001349q","","","0.71073","MoKα","","0.0467","0.0354","","","0.0861","0.0933","","","","","","1.019","","","","has coordinates","179304","2020-10-21","18:00:00","" "4320158","15.3011","0.0014","36.415","0.003","7.8341","0.0005","90","","90","","90","","4365.1","0.6","100","0.2","100","0.2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","bis[cinchoninium tetrachlorocuprate(II)]trihydrate","bis[cinchoninium tetrachlorocuprate(II)]trihydrate","","- C19 H27 Cl4 Cu N2 O2.5 -","- C19 H27 Cl4 Cu N2 O2.5 -","- C152 H216 Cl32 Cu8 N16 O20 -","8","2","","A. Wesełucha-Birczyńska; B. J. Oleksyn; S. K. Hoffmann; J. Śliwiński; B. Borzęcka-Prokop; J. Goslar; W. Hilczer","Flexibility of CuCl4-tetrahedra in Bis[Cinchoninium Tetrachlorocuprate(II)]trihydrate Single Crystals. X-ray Diffraction and EPR Studies","Inorganic Chemistry","2001","40","","4526","4533","10.1021/ic001402a","","","1.5418","CuKα","","0.0482","0.0479","","","0.1234","0.1237","","","","","","1.108","","","","has coordinates","179304","2020-10-21","18:00:00","" "4320159","15.3948","0.0016","36.695","0.007","7.9806","0.0007","90","","90","","90","","4508.3","1.1","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","bis[cinchoninium tetrachlorocuprate(II)]trihydrate","bis[cinchoninium tetrachlorocuprate(II)]trihydrate","","- C19 H27 Cl4 Cu N2 O2.5 -","- C19 H27 Cl4 Cu N2 O2.5 -","- C152 H216 Cl32 Cu8 N16 O20 -","8","2","","A. Wesełucha-Birczyńska; B. J. Oleksyn; S. K. Hoffmann; J. Śliwiński; B. Borzęcka-Prokop; J. Goslar; W. Hilczer","Flexibility of CuCl4-tetrahedra in Bis[Cinchoninium Tetrachlorocuprate(II)]trihydrate Single Crystals. X-ray Diffraction and EPR Studies","Inorganic Chemistry","2001","40","","4526","4533","10.1021/ic001402a","","","1.5418","CuKα","","0.0713","0.0696","","","0.1892","0.1918","","","","","","1.102","","","","has coordinates","211332","2020-10-21","18:00:00","" "4320160","12.8979","0.0012","12.8979","","13.456","0.002","90","","90","","90","","2238.5","0.4","294.2","","294.2","","","","","","","","","8","P 41","P 4w","76","","","","- C18 H24 Br0.29 Cl0.71 N2 O5 P2 Re -","- C18 H24 Br0.289 Cl0.711 N2 O5 P2 Re -","- C72 H96 Br1.156 Cl2.844 N8 O20 P8 Re4 -","4","1","","Liang Xu; Mark P. Lowe; Steven J. Rettig; Chris Orvig","[ReO(N2O2)X] Complexes: ""4 + 1""?","Inorganic Chemistry","2001","40","","4623","4626","10.1021/ic001416g","","","0.7107","MoKα","","0.1203","0.0317","","0.0316","","0.026","","","1.199","","","1.31","","","","has coordinates","176467","2020-10-21","18:00:00","" "4320161","14.8674","0.001","25.9587","0.001","27.5617","0.001","90","","100.83","0.001","90","","10447.7","0.9","123","2","123","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","[{Cu(tren)CN}6Fe}{Fe(CN)6]2[ClO4]2.16H20","","","- C54 H139.6 Cl2 Cu6 Fe3 N42 O23.8 -","- C54 H108 Cl2 Cu6 Fe3 N42 O23.8 -","- C216 H432 Cl8 Cu24 Fe12 N168 O95.2 -","4","1","","Richard J. Parker; Leone Spiccia; Stuart R. Batten; John D. Cashion; Gary D. Fallon","The Encapsulation of Ferrocyanide by Copper(II) Complexes of Tripodal Tetradentate Ligands. Novel H-Bonding Networks Incorporating Heptanuclear and Pentanuclear Heterometallic Assemblies","Inorganic Chemistry","2001","40","","4696","4704","10.1021/ic001452f","","","0.71073","MoKα","","0.1722","0.0997","","","0.2694","0.3297","","","","","","1.034","","","","has coordinates","179304","2020-10-21","18:00:00","" "4320162","14.8094","0.0008","17.3901","0.0007","21.1565","0.0011","110.75","0.003","90.206","0.002","112.754","0.003","4635.7","0.4","123","2","123","2","","","","","","","","7","P 1","P 1","1","[{Cu(tren)CN}6Fe][{Cu(tren)CN}4Fe(CN)2][Fe(CN)6]4.6DMSO.21H2O","","","- C108 H258 Cu10 Fe6 N76 O27 S6 -","- C108 H192 Cu10 Fe6 N76 O27 S6 -","- C108 H192 Cu10 Fe6 N76 O27 S6 -","1","1","","Richard J. Parker; Leone Spiccia; Stuart R. Batten; John D. Cashion; Gary D. Fallon","The Encapsulation of Ferrocyanide by Copper(II) Complexes of Tripodal Tetradentate Ligands. Novel H-Bonding Networks Incorporating Heptanuclear and Pentanuclear Heterometallic Assemblies","Inorganic Chemistry","2001","40","","4696","4704","10.1021/ic001452f","","","0.71073","MoKα","","0.1975","0.0902","","","0.1908","0.2512","","","","","","1.024","","","","has coordinates","179304","2020-10-21","18:00:00","" "4320163","12.1202","0.0004","16.3151","0.0005","29.2527","0.0009","90","","99.27","0.001","90","","5709","0.3","188","2","293","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","[Co2(OH)(Ph4DBA)(TMEDA)2(OTf)].PhCH3","","","- C60 H67 Co2 F3 N4 O9 S -","- C60 H66 Co2 F3 N4 O9 S -","- C240 H264 Co8 F12 N16 O36 S4 -","4","1","","Tadashi J. Mizoguchi; Jane Kuzelka; Bernhard Spingler; Jennifer L. DuBois; Roman M. Davydov; Britt Hedman; Keith O. Hodgson; Stephen J. Lippard","Synthesis and Spectroscopic Studies of Non-Heme Diiron(III) Species with a Terminal Hydroperoxide Ligand: Models for Hemerythrin","Inorganic Chemistry","2001","40","","4662","4673","10.1021/ic010076b","","","0.71073","MoKα","","0.0833","0.0505","","","0.1204","0.1346","","","","","","1.006","","","","has coordinates","179304","2020-10-21","18:00:00","" "4320164","12.1852","0.0002","14.6388","0.0002","19.7878","0.0003","97.106","0.001","96.29","0.001","111.294","0.001","3217.57","0.09","188","2","188","2","","","","","","","","7","P -1","-P 1","2","[Fe2(OH)(Ph4DBA)(DPE)2(OTf)].1.5PhCH3","","","- C71.5 H79 F3 Fe2 N4 O9 S -","- C71.5 H66 F3 Fe2 N4 O9 S -","- C143 H132 F6 Fe4 N8 O18 S2 -","2","1","","Tadashi J. Mizoguchi; Jane Kuzelka; Bernhard Spingler; Jennifer L. DuBois; Roman M. Davydov; Britt Hedman; Keith O. Hodgson; Stephen J. Lippard","Synthesis and Spectroscopic Studies of Non-Heme Diiron(III) Species with a Terminal Hydroperoxide Ligand: Models for Hemerythrin","Inorganic Chemistry","2001","40","","4662","4673","10.1021/ic010076b","","","0.71073","MoKα","","0.0591","0.0456","","","0.122","0.1301","","","","","","1.035","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00","" "4320165","13.3723","0.0003","15.4576","0.0004","33.6514","0.0001","90","","99.732","0.001","90","","6855.8","0.2","188","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","[Fe2(O)(Ph4DBA)(DPE)2(OTf)2].0.5THF.0.25C5H12","","","- C65.25 H66 F6 Fe2 N4 O12.5 S2 -","- C65.25 H66 F6 Fe2 N4 O12.5 S2 -","- C261 H264 F24 Fe8 N16 O50 S8 -","4","1","","Tadashi J. Mizoguchi; Jane Kuzelka; Bernhard Spingler; Jennifer L. DuBois; Roman M. Davydov; Britt Hedman; Keith O. Hodgson; Stephen J. Lippard","Synthesis and Spectroscopic Studies of Non-Heme Diiron(III) Species with a Terminal Hydroperoxide Ligand: Models for Hemerythrin","Inorganic Chemistry","2001","40","","4662","4673","10.1021/ic010076b","","","0.71073","MoKα","","0.154","0.0923","","","0.2424","0.2705","","","","","","1.063","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00","" "4320166","7.3601","0.0003","13.5424","0.0005","15.1256","0.0005","72.582","0.001","76.263","0.001","80.152","0.001","1389.19","0.09","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C42 H50 Cu3 Er2 N6 O40 -","- C42 Cu3 Er2 N6 O40 -","- C42 Cu3 Er2 N6 O40 -","1","0.5","","Yucang Liang; Maochun Hong; Weiping Su; Rong Cao; Wenjian Zhang","Preparations, Structures, and Magnetic Properties of a Series of Novel Copper(II)-Lanthanide(III) Coordination Polymers via Hydrothermal Reaction","Inorganic Chemistry","2001","40","","4574","4582","10.1021/ic0100929","","","0.71073","MoKα","","0.0571","0.0416","","","0.0994","0.1064","","","","","","0.978","","","","has coordinates","179304","2020-10-21","18:00:00","" "4320167","7.393","0.002","13.567","0.006","15.169","0.004","72.623","0.015","76.15","0.02","80.17","0.03","1401.7","0.8","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C42 H50 Cu3 Gd2 N6 O40 -","- C42 Cu3 Gd2 N6 O40 -","- C42 Cu3 Gd2 N6 O40 -","1","0.5","","Yucang Liang; Maochun Hong; Weiping Su; Rong Cao; Wenjian Zhang","Preparations, Structures, and Magnetic Properties of a Series of Novel Copper(II)-Lanthanide(III) Coordination Polymers via Hydrothermal Reaction","Inorganic Chemistry","2001","40","","4574","4582","10.1021/ic0100929","","","0.71073","MoKα","","0.0607","0.0426","","0.1122","0.0973","","","","1.074","1.062","1.062","","","","","has coordinates","179304","2020-10-21","18:00:00","" "4320168","9.296","0.003","25.562","0.005","7.811","0.0015","90","","97.27","0.02","90","","1841.2","0.8","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C56 H56 Cu2 N8 O48 Sm4 -","- C56 Cu2 N8 O48 Sm4 -","- C56 Cu2 N8 O48 Sm4 -","1","0.25","","Yucang Liang; Maochun Hong; Weiping Su; Rong Cao; Wenjian Zhang","Preparations, Structures, and Magnetic Properties of a Series of Novel Copper(II)-Lanthanide(III) Coordination Polymers via Hydrothermal Reaction","Inorganic Chemistry","2001","40","","4574","4582","10.1021/ic0100929","","","0.71073","MoKα","","0.045","0.0332","","","0.0789","0.0848","","","","","","1.04","","","","has coordinates","179304","2020-10-21","18:00:00","" "4320169","9.26","0.002","25.543","0.005","7.7815","0.0013","90","","97.36","0.02","90","","1825.4","0.6","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C56 H56 Cu2 Gd4 N8 O48 -","- C56 Cu2 Gd4 N8 O48 -","- C56 Cu2 Gd4 N8 O48 -","1","0.25","","Yucang Liang; Maochun Hong; Weiping Su; Rong Cao; Wenjian Zhang","Preparations, Structures, and Magnetic Properties of a Series of Novel Copper(II)-Lanthanide(III) Coordination Polymers via Hydrothermal Reaction","Inorganic Chemistry","2001","40","","4574","4582","10.1021/ic0100929","","","0.71073","MoKα","","0.0391","0.0341","","0.0911","0.0882","","","","1.071","1.099","1.099","","","","","has coordinates","179304","2020-10-21","18:00:00","" "4320170","9.1721","0.0005","25.4","0.0015","7.7385","0.0004","90","","97.339","0.001","90","","1788.08","0.17","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C56 H56 Cu2 Er4 N8 O48 -","- C56 Cu2 Er4 N8 O48 -","- C56 Cu2 Er4 N8 O48 -","1","0.25","","Yucang Liang; Maochun Hong; Weiping Su; Rong Cao; Wenjian Zhang","Preparations, Structures, and Magnetic Properties of a Series of Novel Copper(II)-Lanthanide(III) Coordination Polymers via Hydrothermal Reaction","Inorganic Chemistry","2001","40","","4574","4582","10.1021/ic0100929","","","0.71073","MoKα","","0.0538","0.0419","","","0.1044","0.1109","","","","","","1.007","","","","has coordinates","179304","2020-10-21","18:00:00","" "4320171","10.1194","0.0006","10.5763","0.0005","14.35","0.0008","95.333","0.002","101.675","0.002","105.61","","1430.77","0.14","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C42 H58 Cu3 Gd2 N6 O44 -","- C42 H26 Cu3 Gd2 N6 O43 -","- C42 H26 Cu3 Gd2 N6 O43 -","1","0.5","","Yucang Liang; Maochun Hong; Weiping Su; Rong Cao; Wenjian Zhang","Preparations, Structures, and Magnetic Properties of a Series of Novel Copper(II)-Lanthanide(III) Coordination Polymers via Hydrothermal Reaction","Inorganic Chemistry","2001","40","","4574","4582","10.1021/ic0100929","","","0.71073","MoKα","","0.1545","0.0873","","","0.2032","0.2317","","","","","","1.012","","","","has coordinates","179304","2020-10-21","18:00:00","" "4320172","13.055","0.0006","13.0718","0.0006","18.3242","0.0008","96.278","0.001","106.327","0.001","102.242","0.001","2884.7","0.2","193","","193","","","","","","","","","7","P -1","-P 1","2","","","","- C51 H46 B2 F24 N6 O Pt -","- C51 H46 B2 F24 N6 O Pt -","- C102 H92 B4 F48 N12 O2 Pt2 -","2","1","","Stefan Reinartz; Mu-Hyun Baik; Peter S. White; Maurice Brookhart; Joseph L. Templeton","Synthesis, Structure, and Electronic Properties of Monomeric and Dimeric Trispyrazolylborate Platinum(II) Hydride Complexes","Inorganic Chemistry","2001","40","","4726","4732","10.1021/ic010099q","","","0.71073","MolybdenumKα","","0.045","0.039","","0.046","0.045","","","","","1.74","1.74","","","","","has coordinates","176467","2020-10-21","18:00:00","" "4320173","12.8129","0.0004","13.0993","0.0004","18.9928","0.0006","78.741","0.001","87.858","0.001","62.287","0.001","2762.52","0.15","193","","193","","","","","","","","","6","P -1","-P 1","2","","","","- C49 H39 B2 F24 N7 Pt -","- C49 H39 B2 F30 N7 Pt -","- C98 H78 B4 F60 N14 Pt2 -","2","1","","Stefan Reinartz; Mu-Hyun Baik; Peter S. White; Maurice Brookhart; Joseph L. Templeton","Synthesis, Structure, and Electronic Properties of Monomeric and Dimeric Trispyrazolylborate Platinum(II) Hydride Complexes","Inorganic Chemistry","2001","40","","4726","4732","10.1021/ic010099q","","","0.71073","MolybdenumKα","","0.041","0.034","","0.043","0.042","","","","","1.66","1.66","","","","","has coordinates","176467","2020-10-21","18:00:00","" "4320174","5.73","0.000001","6.787","0.000001","14.508","0.000001","90","","97.902","0.000005","90","","558.852","0.00013","0","","0","","","","","","","","?","3","P 1 21/n 1","-P 2yn","14","","","","- Cl3 Ga2 H -","- Cl3 Ga2 H -","- Cl12 Ga8 H4 -","4","1","","Emma Johnsen; Anthony J. Downs; Michael J. Goode; Timothy M. Greene; Hans-Jörg Himmel; Matthias Müller; Simon Parsons; Colin R. Pulham","Some Chemical Properties of Monochlorogallane: Decomposition to Gallium(I) Trichlorogallate(III), Ga+[GaCl3H]-, and Other Reactions","Inorganic Chemistry","2001","40","","4755","4761","10.1021/ic010128x","","","0.71069","MoKα","","","0.0294","","","0.0348","","","","","1.0679","1.0679","","","","","has coordinates","176467","2020-10-21","18:00:00","" "4320175","13.726","0.002","14.99","0.003","22.818","0.004","79.04","0.02","82.05","0.02","83.39","0.02","4545.9","1.4","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C78 H118 N8 O26 S6 -","- C78 H118 N8 O26 S6 -","- C156 H236 N16 O52 S12 -","2","1","","Thomas Clifford; Andrew Danby; José M. Llinares; Susan Mason; Nathaniel W. Alcock; Douglas Powell; Juan A. Aguilar; Enrique García-España; Kristin Bowman-James","Anion Binding with Two Polyammonium Macrocycles of Different Dimensionality","Inorganic Chemistry","2001","40","","4710","4720","10.1021/ic010135l","","","1.54178","CuKα","","0.1807","0.0771","","","0.198","0.2388","","","","","","1.057","","","","has coordinates,has disorder","179304","2020-10-21","18:00:00","" "4320176","13.6738","0.0008","8.2208","0.0005","15.5074","0.0009","90","","94.633","0.002","90","","1737.48","0.18","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C24 H46 N12 O19 -","- C24 H46 N12 O19 -","- C48 H92 N24 O38 -","2","0.5","","Thomas Clifford; Andrew Danby; José M. Llinares; Susan Mason; Nathaniel W. Alcock; Douglas Powell; Juan A. Aguilar; Enrique García-España; Kristin Bowman-James","Anion Binding with Two Polyammonium Macrocycles of Different Dimensionality","Inorganic Chemistry","2001","40","","4710","4720","10.1021/ic010135l","","","0.71073","MoKα","","0.0776","0.0509","","","0.1344","0.1479","","","","","","1.033","","","","has coordinates","179304","2020-10-21","18:00:00","" "4320177","10.7345","0.0003","29.6422","0.0004","5.7286","0.0002","90","","90","","90","","1822.81","0.09","180","2","180","2","","","","","","","","5","A m m 2","A 2 -2","38","","","","- C24 H54 N6 O17 S3 -","- C24 H54 N6 O17 S3 -","- C48 H108 N12 O34 S6 -","2","0.25","","Thomas Clifford; Andrew Danby; José M. Llinares; Susan Mason; Nathaniel W. Alcock; Douglas Powell; Juan A. Aguilar; Enrique García-España; Kristin Bowman-James","Anion Binding with Two Polyammonium Macrocycles of Different Dimensionality","Inorganic Chemistry","2001","40","","4710","4720","10.1021/ic010135l","","","0.71073","MoKα","","0.0769","0.0587","","","0.1414","0.1527","","","","","","1.128","","","","has coordinates,has disorder","179304","2020-10-21","18:00:00","" "4320178","10.6236","0.0009","18.5875","0.0015","23.978","0.002","90","","100.325","0.002","90","","4658.2","0.7","173","2","173","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C36 H79.27 N8 O12.64 -","- C36 H79.27 N8 O12.635 -","- C144 H317.08 N32 O50.54 -","4","1","","Thomas Clifford; Andrew Danby; José M. Llinares; Susan Mason; Nathaniel W. Alcock; Douglas Powell; Juan A. Aguilar; Enrique García-España; Kristin Bowman-James","Anion Binding with Two Polyammonium Macrocycles of Different Dimensionality","Inorganic Chemistry","2001","40","","4710","4720","10.1021/ic010135l","","","0.71073","MoKα","","0.0804","0.0587","","","0.1534","0.1674","","","","","","1.008","","","","has coordinates,has disorder","179304","2020-10-21","18:00:00","" "4320179","10.24","0.002","10.369","0.002","25.633","0.005","80.46","0.03","84.96","0.03","62.23","0.03","2374.7","1.1","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C36 H64 N14 O20 -","- C36 H64 N14 O20 -","- C72 H128 N28 O40 -","2","1","","Thomas Clifford; Andrew Danby; José M. Llinares; Susan Mason; Nathaniel W. Alcock; Douglas Powell; Juan A. Aguilar; Enrique García-España; Kristin Bowman-James","Anion Binding with Two Polyammonium Macrocycles of Different Dimensionality","Inorganic Chemistry","2001","40","","4710","4720","10.1021/ic010135l","","","1.54178","CuKα","","0.0773","0.0521","","","0.13","0.1442","","","","","","1.06","","","","has coordinates","179304","2020-10-21","18:00:00","" "4320180","12.5139","0.0011","19.1754","0.0017","17.2199","0.0016","90","","95.838","0.002","90","","4110.6","0.6","173","2","173","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- As2 Cs6.25 Mn2.37 O81.5 W18.63 -","- As2 Cs6.25 Mn2.38 Na O81.5 W18.62 -","- As4 Cs12.5 Mn4.76 Na2 O163 W37.24 -","2","0.5","","Ulrich Kortz; Noha K. Al-Kassem; Masha G. Savelieff; Nisrine A. Al Kadi; Masahiro Sadakane","Synthesis and Characterization of Copper-, Zinc-, Manganese-, and Cobalt-Substituted Dimeric Heteropolyanions, [(α-XW~9~O~33~)~2~M~3~(H~2~O)~3~]^n-^ (n = 12, X = As^III^, Sb^III^, M = Cu^2+^, Zn^2+^; n = 10, X = Se^IV^, Te^IV^, M = Cu^2+^) and [(α-AsW~9~O~33~)~2~WO(H~2~O)M~2~(H~2~O)~2~]^10-^ (M = Zn^2+^, Mn^2+^, Co^2+^)","Inorganic Chemistry","2001","40","","4742","4749","10.1021/ic0101477","","","0.71073","MoKα","","0.1174","0.1054","","","0.238","0.2447","","","","","","1.269","","","","has coordinates","176467","2020-10-21","18:00:00","" "4320181","13.4989","0.0009","20.7463","0.0014","16.7571","0.0011","90","","109.405","0.001","90","","4426.3","0.5","173","2","173","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- As2 Cu3 Na12 O101 W18 -","- As2 Cu3 Na12 O101 W18 -","- As4 Cu6 Na24 O202 W36 -","2","0.5","","Ulrich Kortz; Noha K. Al-Kassem; Masha G. Savelieff; Nisrine A. Al Kadi; Masahiro Sadakane","Synthesis and Characterization of Copper-, Zinc-, Manganese-, and Cobalt-Substituted Dimeric Heteropolyanions, [(α-XW~9~O~33~)~2~M~3~(H~2~O)~3~]^n-^ (n = 12, X = As^III^, Sb^III^, M = Cu^2+^, Zn^2+^; n = 10, X = Se^IV^, Te^IV^, M = Cu^2+^) and [(α-AsW~9~O~33~)~2~WO(H~2~O)M~2~(H~2~O)~2~]^10-^ (M = Zn^2+^, Mn^2+^, Co^2+^)","Inorganic Chemistry","2001","40","","4742","4749","10.1021/ic0101477","","","0.71073","MoKα","","0.0412","0.035","","","0.0884","0.0957","","","","","","1.146","","","","has coordinates","179304","2020-10-21","18:00:00","" "4320182","13.9956","0.0011","23.2361","0.0019","32.012","0.003","90","","99.249","0.001","90","","10275.1","1.5","167","2","167","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- Cu3 Na12 O115 Sb2 W18 -","- Cu3 Na12 O115 Sb2 W18 -","- Cu12 Na48 O460 Sb8 W72 -","4","0.5","","Ulrich Kortz; Noha K. Al-Kassem; Masha G. Savelieff; Nisrine A. Al Kadi; Masahiro Sadakane","Synthesis and Characterization of Copper-, Zinc-, Manganese-, and Cobalt-Substituted Dimeric Heteropolyanions, [(α-XW~9~O~33~)~2~M~3~(H~2~O)~3~]^n-^ (n = 12, X = As^III^, Sb^III^, M = Cu^2+^, Zn^2+^; n = 10, X = Se^IV^, Te^IV^, M = Cu^2+^) and [(α-AsW~9~O~33~)~2~WO(H~2~O)M~2~(H~2~O)~2~]^10-^ (M = Zn^2+^, Mn^2+^, Co^2+^)","Inorganic Chemistry","2001","40","","4742","4749","10.1021/ic0101477","","","0.71073","MoKα","","0.0398","0.0323","","","0.0759","0.0836","","","","","","1.194","","","","has coordinates","179304","2020-10-21","18:00:00","" "4320183","14.1077","0.0012","23.01","0.002","32.277","0.003","90","","99.162","0.002","90","","10344","1.6","167","2","167","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- As2 Na10 O120 W18 Zn3 -","- As2 Na10 O120 W18 Zn3 -","- As8 Na40 O480 W72 Zn12 -","4","0.5","","Ulrich Kortz; Noha K. Al-Kassem; Masha G. Savelieff; Nisrine A. Al Kadi; Masahiro Sadakane","Synthesis and Characterization of Copper-, Zinc-, Manganese-, and Cobalt-Substituted Dimeric Heteropolyanions, [(α-XW~9~O~33~)~2~M~3~(H~2~O)~3~]^n-^ (n = 12, X = As^III^, Sb^III^, M = Cu^2+^, Zn^2+^; n = 10, X = Se^IV^, Te^IV^, M = Cu^2+^) and [(α-AsW~9~O~33~)~2~WO(H~2~O)M~2~(H~2~O)~2~]^10-^ (M = Zn^2+^, Mn^2+^, Co^2+^)","Inorganic Chemistry","2001","40","","4742","4749","10.1021/ic0101477","","","0.71073","MoKα","","0.0491","0.0365","","","0.0849","0.0942","","","","","","1.078","","","","has coordinates","179304","2020-10-21","18:00:00","" "4320184","14.097","0.0011","23.0993","0.0017","32.149","0.002","90","","98.868","0.001","90","","10343.6","1.3","167","2","167","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- Na10 O117 Sb2 W18 Zn3 -","- Na10 O117 Sb2 W18 Zn3 -","- Na40 O468 Sb8 W72 Zn12 -","4","0.5","","Ulrich Kortz; Noha K. Al-Kassem; Masha G. Savelieff; Nisrine A. Al Kadi; Masahiro Sadakane","Synthesis and Characterization of Copper-, Zinc-, Manganese-, and Cobalt-Substituted Dimeric Heteropolyanions, [(α-XW~9~O~33~)~2~M~3~(H~2~O)~3~]^n-^ (n = 12, X = As^III^, Sb^III^, M = Cu^2+^, Zn^2+^; n = 10, X = Se^IV^, Te^IV^, M = Cu^2+^) and [(α-AsW~9~O~33~)~2~WO(H~2~O)M~2~(H~2~O)~2~]^10-^ (M = Zn^2+^, Mn^2+^, Co^2+^)","Inorganic Chemistry","2001","40","","4742","4749","10.1021/ic0101477","","","0.71073","MoKα","","0.0528","0.0397","","","0.0918","0.1022","","","","","","1.083","","","","has coordinates","179304","2020-10-21","18:00:00","" "4320185","16.7461","0.0008","16.7461","0.0008","13.9075","0.0009","90","","90","","90","","3900.1","0.4","167","2","167","2","","","","","","","","6","P -4 21 m","P -4 2ab","113","","","","- Cu3 K9 Na O85 Se2 W18 -","- Cu3 K9 Na O85 Se2 W18 -","- Cu6 K18 Na2 O170 Se4 W36 -","2","0.25","","Ulrich Kortz; Noha K. Al-Kassem; Masha G. Savelieff; Nisrine A. Al Kadi; Masahiro Sadakane","Synthesis and Characterization of Copper-, Zinc-, Manganese-, and Cobalt-Substituted Dimeric Heteropolyanions, [(α-XW~9~O~33~)~2~M~3~(H~2~O)~3~]^n-^ (n = 12, X = As^III^, Sb^III^, M = Cu^2+^, Zn^2+^; n = 10, X = Se^IV^, Te^IV^, M = Cu^2+^) and [(α-AsW~9~O~33~)~2~WO(H~2~O)M~2~(H~2~O)~2~]^10-^ (M = Zn^2+^, Mn^2+^, Co^2+^)","Inorganic Chemistry","2001","40","","4742","4749","10.1021/ic0101477","","","0.71073","MoKα","","0.0416","0.0336","","","0.0717","0.0755","","","","","","1.103","","","","has coordinates","179304","2020-10-21","18:00:00","" "4320186","16.6529","0.0009","16.6529","0.0009","14.018","0.0011","90","","90","","90","","3887.5","0.4","167","2","167","2","","","","","","","","6","P -4 21 m","P -4 2ab","113","","","","- Cu3 K9 Na O85 Te2 W18 -","- Cu3 K9 Na O85 Te2 W18 -","- Cu6 K18 Na2 O170 Te4 W36 -","2","0.25","","Ulrich Kortz; Noha K. Al-Kassem; Masha G. Savelieff; Nisrine A. Al Kadi; Masahiro Sadakane","Synthesis and Characterization of Copper-, Zinc-, Manganese-, and Cobalt-Substituted Dimeric Heteropolyanions, [(α-XW~9~O~33~)~2~M~3~(H~2~O)~3~]^n-^ (n = 12, X = As^III^, Sb^III^, M = Cu^2+^, Zn^2+^; n = 10, X = Se^IV^, Te^IV^, M = Cu^2+^) and [(α-AsW~9~O~33~)~2~WO(H~2~O)M~2~(H~2~O)~2~]^10-^ (M = Zn^2+^, Mn^2+^, Co^2+^)","Inorganic Chemistry","2001","40","","4742","4749","10.1021/ic0101477","","","0.71073","MoKα","","0.0352","0.0303","","","0.0819","0.0838","","","","","","1.206","","","","has coordinates","179304","2020-10-21","18:00:00","" "4320187","13.1939","0.001","19.3214","0.0015","18.4524","0.0014","90","","99.084","0.001","90","","4645","0.6","173","2","173","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- As2 Cs2 Na3 O92 W18.7 Zn2.3 -","- As2 Cs2 Na3 O92 W18.7 Zn2.3 -","- As4 Cs4 Na6 O184 W37.4 Zn4.6 -","2","0.5","","Ulrich Kortz; Noha K. Al-Kassem; Masha G. Savelieff; Nisrine A. Al Kadi; Masahiro Sadakane","Synthesis and Characterization of Copper-, Zinc-, Manganese-, and Cobalt-Substituted Dimeric Heteropolyanions, [(α-XW~9~O~33~)~2~M~3~(H~2~O)~3~]^n-^ (n = 12, X = As^III^, Sb^III^, M = Cu^2+^, Zn^2+^; n = 10, X = Se^IV^, Te^IV^, M = Cu^2+^) and [(α-AsW~9~O~33~)~2~WO(H~2~O)M~2~(H~2~O)~2~]^10-^ (M = Zn^2+^, Mn^2+^, Co^2+^)","Inorganic Chemistry","2001","40","","4742","4749","10.1021/ic0101477","","","0.71073","MoKα","","0.0803","0.0514","","","0.1287","0.1497","","","","","","1.061","","","","has coordinates","176467","2020-10-21","18:00:00","" "4320188","13.207","0.001","19.1547","0.0014","18.4642","0.0013","90","","99.827","0.001","90","","4602.5","0.6","173","2","173","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- As2 Co2.2 Cs1.75 Na3 O91.5 W18.8 -","- As2 Co2.2 Cs1.75 Na3 O91.5 W18.8 -","- As4 Co4.4 Cs3.5 Na6 O183 W37.6 -","2","0.5","","Ulrich Kortz; Noha K. Al-Kassem; Masha G. Savelieff; Nisrine A. Al Kadi; Masahiro Sadakane","Synthesis and Characterization of Copper-, Zinc-, Manganese-, and Cobalt-Substituted Dimeric Heteropolyanions, [(α-XW~9~O~33~)~2~M~3~(H~2~O)~3~]^n-^ (n = 12, X = As^III^, Sb^III^, M = Cu^2+^, Zn^2+^; n = 10, X = Se^IV^, Te^IV^, M = Cu^2+^) and [(α-AsW~9~O~33~)~2~WO(H~2~O)M~2~(H~2~O)~2~]^10-^ (M = Zn^2+^, Mn^2+^, Co^2+^)","Inorganic Chemistry","2001","40","","4742","4749","10.1021/ic0101477","","","0.71073","MoKα","","0.0657","0.0543","","","0.1448","0.1561","","","","","","1.085","","","","has coordinates","176467","2020-10-21","18:00:00","" "4320189","9.7281","0.0009","12.7989","0.0012","13.487","0.0012","91.553","0.002","103.957","0.002","109.916","0.002","1521.2","0.2","203","2","203","2","","","","","","","","6","P -1","-P 1","2","","","","- C62 H66 Cl6 Li2 O6 Yb2 -","- C62.012 H66 Cl6 Li2 O6 Yb2 -","- C62.012 H66 Cl6 Li2 O6 Yb2 -","1","0.5","","Gerd W. Rabe; Christian D. Bérubé; Glenn P. A. Yap","Synthesis and X-ray Crystal Structure Determination of First Examples of Donor-Functionalized Terphenyl Lanthanide Complexes","Inorganic Chemistry","2001","40","","4780","4784","10.1021/ic010194z","","","0.71073","MoKα","","0.0424","0.0343","","","0.0694","0.0701","","","","","","1.004","","","","has coordinates,has disorder","179304","2020-10-21","18:00:00","" "4320190","10.3457","0.0008","12.5658","0.001","14.4365","0.0011","70.225","0.001","81.282","0.001","66.833","0.001","1623.3","0.2","203","2","203","2","","","","","","","","6","P -1","-P 1","2","","","","- C63 H74 Cl6 Li2 O8 Sm2 -","- C63 H74 Cl6 Li2 O8 Sm2 -","- C63 H74 Cl6 Li2 O8 Sm2 -","1","0.5","","Gerd W. Rabe; Christian D. Bérubé; Glenn P. A. Yap","Synthesis and X-ray Crystal Structure Determination of First Examples of Donor-Functionalized Terphenyl Lanthanide Complexes","Inorganic Chemistry","2001","40","","4780","4784","10.1021/ic010194z","","","0.71073","MoKα","","0.043","0.034","","","0.0705","0.0712","","","","","","1.033","","","","has coordinates,has disorder","179304","2020-10-21","18:00:00","" "4320191","10.4152","0.001","12.5783","0.0012","14.464","0.0014","69.963","0.002","80.9","0.002","66.603","0.002","1633.3","0.3","203","2","203","2","","","","","","","","6","P -1","-P 1","2","","","","- C63 H74 Cl6 Li2 O8 Y2 -","- C63 H74 Cl6 Li2 O8 Y2 -","- C63 H74 Cl6 Li2 O8 Y2 -","1","0.5","","Gerd W. Rabe; Christian D. Bérubé; Glenn P. A. Yap","Synthesis and X-ray Crystal Structure Determination of First Examples of Donor-Functionalized Terphenyl Lanthanide Complexes","Inorganic Chemistry","2001","40","","4780","4784","10.1021/ic010194z","","","0.71073","MoKα","","0.0863","0.0407","","","0.0677","0.0719","","","","","","1.017","","","","has coordinates,has disorder","179304","2020-10-21","18:00:00","" "4320192","31.5575","0.0015","32.7547","0.0015","20.4891","0.001","90","","127.119","0.001","90","","16887.5","1.4","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C160 H224 Lu N16 S16 -","- C160 H224 Lu N16 S16 -","- C640 H896 Lu4 N64 S64 -","4","0.5","","Ayşe Gül Gürek; Vefa Ahsen; Dominique Luneau; Jacques Pécaut","Synthesis, Structure, Spectroscopic Properties, and Magnetic Properties of an Octakis(Alkylthio)-Substituted Lutetium(III) Bisphthalocyanine","Inorganic Chemistry","2001","40","","4793","4797","10.1021/ic010240v","","","0.71073","MoKα","","0.1591","0.0508","","","0.1037","0.1466","","","","","","0.869","","","","has coordinates","179304","2020-10-21","18:00:00","" "4320193","13.717","0.003","14.054","0.003","24.374","0.005","90","","90","","90","","4698.8","1.7","200","","200","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C34.8 H68.2 Cl2 N11.4 Ni2 O8 -","- C34.8 H68.2 Cl2 N11.4 Ni2 O8 -","- C139.2 H272.8 Cl8 N45.6 Ni8 O32 -","4","1","","Franc Meyer; Rainer F. Winter; Elisabeth Kaifer","Extremely Bent Cyanide Coordination at a Preorganized Dinickel Site and Assembly of a Starlike Nonanuclear Complex from the Constrained Dinickel Building Blocks","Inorganic Chemistry","2001","40","","4597","4603","10.1021/ic010249x","","","0.71073","MoKα","","0.0573","0.0438","","","0.1156","0.1223","","","","","","1.005","","","","has coordinates,has disorder","288183","2023-12-08","14:42:59","" "4320194","20.593","0.004","20.793","0.004","21.034","0.004","90.79","0.03","95.78","0.03","110.32","0.03","8392","3","200","","200","","","","","","","","","6","P -1","-P 1","2","","","","- C124 H244 Cl6 N40 Ni9 O22.5 -","- C124 H244 Cl6 N40 Ni9 O22.5 -","- C248 H488 Cl12 N80 Ni18 O45 -","2","1","","Franc Meyer; Rainer F. Winter; Elisabeth Kaifer","Extremely Bent Cyanide Coordination at a Preorganized Dinickel Site and Assembly of a Starlike Nonanuclear Complex from the Constrained Dinickel Building Blocks","Inorganic Chemistry","2001","40","","4597","4603","10.1021/ic010249x","","","0.71073","MoKα","","0.1963","0.0829","","","0.22","0.2692","","","","","","1","","","","has coordinates,has disorder","288183","2023-12-08","14:42:59","" "4320195","30.663","0.003","11.4858","0.0011","30.708","0.003","90","","106.096","0.002","90","","10391.1","1.8","173","2","173","2","","","","","","","Prof. A. Borovik - University of Kansas","6","P 1 21/n 1","-P 2yn","14","99367a","","","- C74 H158 Fe2 K4 N22 O16 -","- C74 H158 Fe2 K4 N22 O16 -","- C296 H632 Fe8 K16 N88 O64 -","4","1","","Cora E. MacBeth; Brian S. Hammes; Victor G. Young,; A. S. Borovik","Hydrogen-Bonding Cavities about Metal Ions: Synthesis, Structure, and Physical Properties for a Series of Monomeric M-OH Complexes Derived from Water","Inorganic Chemistry","2001","40","","4733","4741","10.1021/ic010250w","","","0.71073","MoKα","","0.0629","0.0531","","0.138","0.1287","","","","1.05","1.048","1.048","","","","","has coordinates,has disorder","179304","2020-10-21","18:00:00","" "4320196","10.7774","0.0003","11.3017","0.0003","11.725","0.0002","94.319","0.001","95.146","0.001","98.003","0.001","1402.94","0.06","173","2","173","2","","","","","","","B. Hammes/Prof. A. Borovik - Univ. of Kansas","6","P -1","-P 1","2","98047","","","- C21 H43 Co K N7 O4 -","- C21 H43 Co K N7 O4 -","- C42 H86 Co2 K2 N14 O8 -","2","1","","Cora E. MacBeth; Brian S. Hammes; Victor G. Young,; A. S. Borovik","Hydrogen-Bonding Cavities about Metal Ions: Synthesis, Structure, and Physical Properties for a Series of Monomeric M-OH Complexes Derived from Water","Inorganic Chemistry","2001","40","","4733","4741","10.1021/ic010250w","","","0.71073","MoKα","","0.068","0.0463","","0.1144","0.1055","","","","0.989","1.061","1.061","","","","","has coordinates,has disorder","179304","2020-10-21","18:00:00","" "4320197","30.675","0.002","11.5035","0.0008","30.727","0.002","90","","106.415","0.001","90","","10400.7","1.2","173","2","173","2","","","","","","","Prof. A. Borovik - University of Kansas","6","P 1 21/n 1","-P 2yn","14","00082a","","","- C74 H158 K4 N22 O16 Zn2 -","- C74 H158 K4 N22 O16 Zn2 -","- C296 H632 K16 N88 O64 Zn8 -","4","1","","Cora E. MacBeth; Brian S. Hammes; Victor G. Young,; A. S. Borovik","Hydrogen-Bonding Cavities about Metal Ions: Synthesis, Structure, and Physical Properties for a Series of Monomeric M-OH Complexes Derived from Water","Inorganic Chemistry","2001","40","","4733","4741","10.1021/ic010250w","","","0.71073","MoKα","","0.0701","0.0478","","0.1253","0.116","","","","0.955","1.056","1.056","","","","","has coordinates,has disorder","179304","2020-10-21","18:00:00","" "4320198","23.177","0.005","11.056","0.002","17.263","0.004","90","","90","","90","","4423.6","1.6","293","2","293","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C42 H74 Co N2 S2 -","- C42 H74 Co N2 S2 -","- C168 H296 Co4 N8 S8 -","4","1","","Hung Kay Lee; Chung Hei Lam; Song-Lin Li; Ze-Ying Zhang; Thomas C. W. Mak","Low-Valent Chemistry of Cobalt Amide. Synthesis and Structural Characterization of Cobalt(II) Amido, Aryloxide, and Thiolate Compounds","Inorganic Chemistry","2001","40","","4691","4695","10.1021/ic0102945","","","0.71073","MoKα","","0.1077","0.0876","","","0.2217","0.2372","","","","","","1.156","","","","has coordinates","179304","2020-10-21","18:00:00","" "4320199","17.857","0.003","16.709","0.002","18.236","0.002","90","","91.32","0.12","90","","5439.7","1.3","298","","298","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C51 H41 Cl7 N2 O2 P2 Ru2 -","- C51 H40 Cl7 N2 O2 P2 Ru2 -","- C204 H160 Cl28 N8 O8 P8 Ru8 -","4","1","","Satyanarayan Pal; Samudranil Pal","A Diruthenum(III) Complex Possessing a Diazine and Two Chloride Bridges: Synthesis, Structure, and Properties","Inorganic Chemistry","2001","40","","4807","4810","10.1021/ic010310y","","","0.71073","MoKα","","0.1546","0.0762","","","0.1922","0.2333","","","","","","1.067","","","","has coordinates","179304","2020-10-21","18:00:00","" "4320200","10.5344","0.0001","11.9073","0.0002","14.0461","0.0003","106.645","0.001","101.977","0.001","112.078","0.001","1462.4","0.05","198","2","198","2","","","","","","","","5","P -1","-P 1","2","","","","- C25 H24 Co2 N4 O9 -","- C26 H18 Co2 N4 O11.53 -","- C52 H36 Co4 N8 O23.06 -","2","1","","Ponnaiyan Ayyappan; Owen R. Evans; Wenbin Lin","Three-Dimensional Open Frameworks Based on Cobalt(II) and Nickel(II) m-Pyridinecarboxylates","Inorganic Chemistry","2001","40","","4627","4632","10.1021/ic010343d","","","0.71073","MoKα","","0.1245","0.074","","","0.1346","0.163","","","","","","1.173","","","","has coordinates,has disorder","179305","2020-10-21","18:00:00","" "4320201","20.089","0.0005","20.089","0.0005","14.0156","0.0005","90","","90","","90","","5656.2","0.3","198","2","198","2","","","","","","","","5","P 4/n c c :2","-P 4a 2ac","130","","","","- C13 H13 N2 Ni O4.75 -","- C12.75 H8 N2 Ni O5 -","- C204 H128 N32 Ni16 O80 -","16","1","","Ponnaiyan Ayyappan; Owen R. Evans; Wenbin Lin","Three-Dimensional Open Frameworks Based on Cobalt(II) and Nickel(II) m-Pyridinecarboxylates","Inorganic Chemistry","2001","40","","4627","4632","10.1021/ic010343d","","","0.71073","MoKα","","0.081","0.0542","","","0.1788","0.1887","","","","","","1.04","","","","has coordinates,has disorder","179305","2020-10-21","18:00:00","" "4320202","14.0822","0.0013","15.2781","0.0015","18.5374","0.0017","90","","105.36","0.002","90","","3845.8","0.6","198","2","198","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C20 H16.5 Co N2 O5.25 -","- C21.5 H13 Co N2 O6 -","- C172 H104 Co8 N16 O48 -","8","1","","Ponnaiyan Ayyappan; Owen R. Evans; Wenbin Lin","Three-Dimensional Open Frameworks Based on Cobalt(II) and Nickel(II) m-Pyridinecarboxylates","Inorganic Chemistry","2001","40","","4627","4632","10.1021/ic010343d","","","0.71073","MoKα","","0.1965","0.106","","","0.2159","0.2611","","","","","","1.128","","","","has coordinates","176467","2020-10-21","18:00:00","" "4320203","14.0821","0.0001","15.2498","0.0003","18.6058","0.0002","90","","106.747","0.001","90","","3826.11","0.09","198","2","198","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C20 H12.5 N2.5 Ni1.25 O5 -","- C22 H13 N2 Ni O6.034 -","- C176 H104 N16 Ni8 O48.272 -","8","1","","Ponnaiyan Ayyappan; Owen R. Evans; Wenbin Lin","Three-Dimensional Open Frameworks Based on Cobalt(II) and Nickel(II) m-Pyridinecarboxylates","Inorganic Chemistry","2001","40","","4627","4632","10.1021/ic010343d","","","0.71073","MoKα","","0.1111","0.0707","","","0.1631","0.1877","","","","","","1.109","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00","" "4320204","16.966","0.01","18.356","0.011","10.679","0.004","90","","110.27","0.03","90","","3120","3","298","2","298","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","LB.001","Benzo[2,1-c:3,4-c ]bis(1,2,3-thiaselenazole) Perchlorate","","- C18 H6 Cl2 N6 O8 S6 Se6 -","- C18 H6 Cl2 N6 O8 S6 Se6 -","- C72 H24 Cl8 N24 O32 S24 Se24 -","4","0.5","","Leanne Beer; James F. Britten; A. Wallace Cordes; Owen P. Clements; Richard T. Oakley; Maren Pink; Robert W. Reed","Benzo[2,1-c:3,4-c']bis(1,2,3-thiaselenazole) (BSe) and Its Charge Transfer Chemistry. Crystal and Electronic Structure of [BSe]3[ClO4]2","Inorganic Chemistry","2001","40","","4705","4709","10.1021/ic010357j","","","0.55942","","","0.0628","0.0437","","","0.1193","0.1262","","","","","","0.996","","","","has coordinates","198632","2020-10-21","18:00:00","" "4320205","5.1469","0.0015","13.343","0.002","14.2031","0.0017","90","","90","","90","","975.4","0.3","293","","293","","","","","","","","","4","P b c a","-P 2ac 2ab","61","BSe","Benzo[2,1-c:3,4-c ]bis(1,2,3-thiaselenazole)","","- C4 Cl2 N4 S4 -","- C4 Cl2 N4 S4 -","- C16 Cl8 N16 S16 -","4","0.5","","Leanne Beer; James F. Britten; A. Wallace Cordes; Owen P. Clements; Richard T. Oakley; Maren Pink; Robert W. Reed","Benzo[2,1-c:3,4-c']bis(1,2,3-thiaselenazole) (BSe) and Its Charge Transfer Chemistry. Crystal and Electronic Structure of [BSe]3[ClO4]2","Inorganic Chemistry","2001","40","","4705","4709","10.1021/ic010357j","","","0.7107","MolybdenumKα","","0.023","","","0.047","","","","","0.87","","","","","","","has coordinates","176467","2020-10-21","18:00:00","" "4320206","9.1271","0.0019","16.219","0.003","16.814","0.004","90","","93.22","0.03","90","","2485.1","0.9","180","2","180","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Tris[2-(N-trimethylsilylamido-κN)ethyl]amine-κN-chromium(III)","","- C15 H39 Cr N4 Si3 -","- C15 H39 Cr N4 Si3 -","- C60 H156 Cr4 N16 Si12 -","4","1","","Sven Schneider; Alexander C. Filippou","Triamidoamine Complexes of Chromium(III) and Chromium(IV)","Inorganic Chemistry","2001","40","","4674","4677","10.1021/ic010361v","","","0.71073","MoKα","","0.0718","0.0483","","","0.1291","0.1385","","","","","","1.042","","","","has coordinates","179305","2020-10-21","18:00:00","" "4320207","9.762","0.003","15.877","0.003","16.17","0.004","90","","101.75","0.03","90","","2453.7","1.1","273","2","273","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Chloro{tris[2-(N-trimethylsilylamido-κN)ethyl]amine-κN}-chromium(IV)","","- C15 H39 Cl Cr N4 Si3 -","- C15 H39 Cl Cr N4 Si3 -","- C60 H156 Cl4 Cr4 N16 Si12 -","4","1","","Sven Schneider; Alexander C. Filippou","Triamidoamine Complexes of Chromium(III) and Chromium(IV)","Inorganic Chemistry","2001","40","","4674","4677","10.1021/ic010361v","","","0.71073","MoKα","","0.131","0.0536","","","0.1155","0.1414","","","","","","0.828","","","","has coordinates","179305","2020-10-21","18:00:00","" "4320208","8.445","0.004","10.855","0.005","19.308","0.009","84.53","","78.76","","68.43","","1613.9","1.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H45 Ag O6 S3 -","- C30 H45 Ag O6 S3 -","- C60 H90 Ag2 O12 S6 -","2","1","","Natalia J. Melcer; Gary D. Enright; John A. Ripmeester; George K. H. Shimizu","The Effects of Anion Variation and Ligand Derivatization on Silver Coordination Networks Based upon Weaker Interactions","Inorganic Chemistry","2001","40","","4641","4648","10.1021/ic0103749","","","0.7093","","","0.1819","0.076","","","0.1589","0.2022","","","","","","0.986","","","","has coordinates","179305","2020-10-21","18:00:00","" "4320209","11.9658","0.0011","3.9056","0.0004","19.64","0.0018","90","","92.87","","90","","916.7","0.15","293","2","293","2","","","","","","","","7","P 1 2/n 1","-P 2yac","13","","","","- C7 H8 Ag0.5 F3 N P0.5 S -","- C7 H8 Ag0.5 F3 N P0.5 S -","- C28 H32 Ag2 F12 N4 P2 S4 -","4","1","","Natalia J. Melcer; Gary D. Enright; John A. Ripmeester; George K. H. Shimizu","The Effects of Anion Variation and Ligand Derivatization on Silver Coordination Networks Based upon Weaker Interactions","Inorganic Chemistry","2001","40","","4641","4648","10.1021/ic0103749","","","0.7093","","","0.0734","0.053","","","0.1111","0.1208","","","","","","1.062","","","","has coordinates","176467","2020-10-21","18:00:00","" "4320210","8.9343","0.001","23.801","0.002","12.98","0.0018","90","","105.329","0.01","90","","2661.9","0.5","213","2","213","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C23 H37 N O2 S4 W -","- C23.02 H37 N O2 S4 W -","- C92.08 H148 N4 O8 S16 W4 -","4","1","","Kie-Moon Sung; R. H. Holm","Substitution and Oxidation Reactions of Bis(dithiolene)tungsten Complexes of Potential Relevance to Enzyme Sites","Inorganic Chemistry","2001","40","","4518","4525","10.1021/ic010421x","","","0.71073","MoKα","","0.0601","0.052","","","0.1421","0.1511","","","","","","1.03","","","","has coordinates,has disorder","179305","2020-10-21","18:00:00","" "4320211","39.2057","0.0001","39.2057","0.0001","10.4603","0.0001","90","","90","","120","","13924.3","0.14","213","2","213","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C27 H47 N O S5 W -","- C27 H47 N O S5 W -","- C486 H846 N18 O18 S90 W18 -","18","1","","Kie-Moon Sung; R. H. Holm","Substitution and Oxidation Reactions of Bis(dithiolene)tungsten Complexes of Potential Relevance to Enzyme Sites","Inorganic Chemistry","2001","40","","4518","4525","10.1021/ic010421x","","","0.71073","MoKα","","0.0774","0.0421","","","0.0863","0.1041","","","","","","1.039","","","","has coordinates","179305","2020-10-21","18:00:00","" "4320212","39.466","0.002","39.466","0.002","10.4482","0.0008","90","","90","","120","","14093.5","1.5","213","2","213","2","","","","","","","","7","R -3 :H","-R 3","148","","","","- C27 H47 N O S4 Se W -","- C27 H47 N O S4 Se W -","- C486 H846 N18 O18 S72 Se18 W18 -","18","1","","Kie-Moon Sung; R. H. Holm","Substitution and Oxidation Reactions of Bis(dithiolene)tungsten Complexes of Potential Relevance to Enzyme Sites","Inorganic Chemistry","2001","40","","4518","4525","10.1021/ic010421x","","","0.71073","MoKα","","0.0505","0.0345","","","0.0894","0.1037","","","","","","0.125","","","","has coordinates","179305","2020-10-21","18:00:00","" "4320213","11.516","0.007","14.901","0.009","14.952","0.008","88.861","0.01","67.876","0.012","87.358","0.01","2374","2","213","2","213","2","","","","","","","","5","P -1","-P 1","2","","","","- C34 H67 N3 S10 W2 -","- C34 H67 N3 S10 W2 -","- C68 H134 N6 S20 W4 -","2","1","","Kie-Moon Sung; R. H. Holm","Substitution and Oxidation Reactions of Bis(dithiolene)tungsten Complexes of Potential Relevance to Enzyme Sites","Inorganic Chemistry","2001","40","","4518","4525","10.1021/ic010421x","","","0.71073","MoKα","","0.037","0.0256","","","0.0499","0.0522","","","","","","1.01","","","","has coordinates","179305","2020-10-21","18:00:00","" "4320214","12.8552","0.0002","12.8552","0.0002","27.3574","0.0004","90","","90","","90","","4520.98","0.12","213","2","213","2","","","","","","","","6","I -4 2 d","I -4 2bw","122","","","","- C16 H32 N O S4 W -","- C16 H32 N O S4 W -","- C128 H256 N8 O8 S32 W8 -","8","0.5","","Kie-Moon Sung; R. H. Holm","Substitution and Oxidation Reactions of Bis(dithiolene)tungsten Complexes of Potential Relevance to Enzyme Sites","Inorganic Chemistry","2001","40","","4518","4525","10.1021/ic010421x","","","0.71073","MoKα","","0.0351","0.0256","","","0.0781","0.0802","","","","","","1.088","","","","has coordinates,has disorder","179305","2020-10-21","18:00:00","" "4320215","13.2822","0.0005","20.1469","0.0007","23.9424","0.0009","90","","90","","90","","6406.9","0.4","213","2","213","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C28 H42 N S6 W -","- C28 H42 N S6 W -","- C224 H336 N8 S48 W8 -","8","1","","Kie-Moon Sung; R. H. Holm","Substitution and Oxidation Reactions of Bis(dithiolene)tungsten Complexes of Potential Relevance to Enzyme Sites","Inorganic Chemistry","2001","40","","4518","4525","10.1021/ic010421x","","","0.71073","MoKα","","0.104","0.0453","","","0.0912","0.1102","","","","","","1.001","","","","has coordinates","179305","2020-10-21","18:00:00","" "4320216","13.3253","0.0019","20.196","0.003","24.352","0.004","90","","90","","90","","6553.6","1.7","213","2","213","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C28 H42 N S4 Se2 W -","- C28 H42 N S4 Se2 W -","- C224 H336 N8 S32 Se16 W8 -","8","1","","Kie-Moon Sung; R. H. Holm","Substitution and Oxidation Reactions of Bis(dithiolene)tungsten Complexes of Potential Relevance to Enzyme Sites","Inorganic Chemistry","2001","40","","4518","4525","10.1021/ic010421x","","","0.71073","MoKα","","0.08","0.0459","","","0.0916","0.1062","","","","","","1.044","","","","has coordinates","179305","2020-10-21","18:00:00","" "4320217","24.309","0.004","20.528","0.004","21.72","0.004","90","","90","","90","","10839","3","213","2","213","2","","","","","","","","6","F d d 2","F 2 -2d","43","","","","- C22 H37 N O S5 W -","- C22 H36.5 N O S5 W -","- C352 H584 N16 O16 S80 W16 -","16","1","","Kie-Moon Sung; R. H. Holm","Substitution and Oxidation Reactions of Bis(dithiolene)tungsten Complexes of Potential Relevance to Enzyme Sites","Inorganic Chemistry","2001","40","","4518","4525","10.1021/ic010421x","","","0.71073","MoKα","","0.0321","0.0311","","","0.0798","0.0804","","","","","","0.953","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00","" "4320218","11.1622","0.0009","21.897","0.003","13.1693","0.0015","90","","102.891","0.009","90","","3137.7","0.6","213","2","213","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C24 H52 N2 O2 S4 W -","- C23.996 H52 N2 O2 S4 W -","- C95.984 H208 N8 O8 S16 W4 -","4","1","","Kie-Moon Sung; R. H. Holm","Substitution and Oxidation Reactions of Bis(dithiolene)tungsten Complexes of Potential Relevance to Enzyme Sites","Inorganic Chemistry","2001","40","","4518","4525","10.1021/ic010421x","","","0.71073","MoKα","","0.0856","0.063","","","0.12","0.1274","","","","","","1.131","","","","has coordinates,has disorder","179305","2020-10-21","18:00:00","" "4320219","5.177","0.001","9.326","0.001","9.649","0.001","95.39","0.01","100.04","0.01","97.16","0.01","451.95","0.11","98","2","98","2","","","","","","","","4","P -1","-P 1","2","Compound 1","","","- C16 H30 Ni O6 -","- C16 H30 Ni O6 -","- C16 H30 Ni O6 -","1","0.5","","Valery R. Polyakov; Marian Czerwinski","Hydrogen-Bonding in Ethanol Adducts to Bis(3-R-penta-2,4-dionato)Nickel(II) Species","Inorganic Chemistry","2001","40","","4798","4802","10.1021/ic991284v","","","1.54178","CuKα","","0.0378","0.0375","","0.1032","0.1028","","","","1.134","1.14","1.14","","","","","has coordinates","192777","2020-10-21","18:00:00","" "4320220","5.176","0.001","9.677","0.001","14.458","0.001","92.333","0.003","93.945","0.004","96.011","0.006","717.65","0.17","293","2","293","2","","","","","","","","4","P -1","-P 1","2","Compound 2","","","- C26 H46 Ni O6 -","- C26 H46 Ni O6 -","- C26 H46 Ni O6 -","1","0.5","","Valery R. Polyakov; Marian Czerwinski","Hydrogen-Bonding in Ethanol Adducts to Bis(3-R-penta-2,4-dionato)Nickel(II) Species","Inorganic Chemistry","2001","40","","4798","4802","10.1021/ic991284v","","","1.54178","CuKα","","0.0467","0.0446","","0.1239","0.1216","","","","1.064","1.086","1.086","","","","","has coordinates","179305","2020-10-21","18:00:00","" "4320221","27.399","0.001","5.349","0.001","19.827","0.002","90","","117.41","0.007","90","","2579.6","0.6","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","Compound 3","","","- C26 H34 Ni O6 -","- C26 H34 Ni O6 -","- C104 H136 Ni4 O24 -","4","0.5","","Valery R. Polyakov; Marian Czerwinski","Hydrogen-Bonding in Ethanol Adducts to Bis(3-R-penta-2,4-dionato)Nickel(II) Species","Inorganic Chemistry","2001","40","","4798","4802","10.1021/ic991284v","","","1.54178","CuKα","","0.0593","0.0494","","0.1482","0.1418","","","","1.07","1.138","1.138","","","","","has coordinates","192777","2020-10-21","18:00:00","" "4320222","20.2493","0.0004","20.2493","0.0004","12.1006","0.0005","90","","90","","90","","4961.7","0.2","293","2","293","2","","","","","","","","5","I 41/a :2","-I 4ad","88","Compound 5","","","- C9 H17 Cl Ni O4 -","- C9 H17 Cl Ni O4 -","- C144 H272 Cl16 Ni16 O64 -","16","1","","Valery R. Polyakov; Marian Czerwinski","Hydrogen-Bonding in Ethanol Adducts to Bis(3-R-penta-2,4-dionato)Nickel(II) Species","Inorganic Chemistry","2001","40","","4798","4802","10.1021/ic991284v","","","0.71073","MoKα","","0.0906","0.064","","0.1768","0.1708","","","","1.11","1.26","1.26","","","","","has coordinates","192777","2020-10-21","18:00:00","" "4320223","11.551","0.002","12.542","0.003","26.657","0.005","93.14","0.03","95.3","0.03","116.51","0.03","3421","1.5","200","2","293","2","","","","","","","","5","P -1","-P 1","2","","mu(1,1)-(N,N'-bis(5-methylimidazole-4-ylmethyl)-1,3-diaminopropane-2-alkoxo) mu(1,3)-diphenilphosphato dicopper(II) diperchlorate hemihidrate","","- C36 H93 Cu5 N15 O35 -","- C36 H72 Cu5 N15 O35 -","- C72 H144 Cu10 N30 O70 -","2","1","","Tamás Gajda; Yvonne Düpre; Ibolya Török; Jeffrey Harmer; Arthur Schweiger; Jürgen Sander; Dirk Kuppert; Kaspar Hegetschweiler","Highly Efficient Phosphodiester Hydrolysis Promoted by a Dinuclear Copper(II) Complex","Inorganic Chemistry","2001","40","","4918","4927","10.1021/ic0005902","","","0.71073","MoKα","","0.1338","0.0843","","","0.2375","0.2642","","","","","","1.017","","","","has coordinates,has disorder","179305","2020-10-21","18:00:00","" "4320224","15.9548","0.0009","17.3419","0.001","18.1696","0.0011","81.939","0.001","76.479","0.001","89.014","0.002","4839","0.5","198","2","198","2","","","","","","","","7","P -1","-P 1","2","","","","- C188 H120 Hg2 N4 O42 P8 Re14 -","- C188 H120 Hg2 N4 O42 P8 Re14 -","- C188 H120 Hg2 N4 O42 P8 Re14 -","1","0.5","","Chris A. Wright; Udo Brand; John R. Shapley","Synthesis and Characterization of the Dimercury(I)-Linked Compound [PPN]4[(Re7C(CO)21Hg)2]. Oxidative Cleavage of the Mercury-Mercury Bond Leading to Carbidoheptarhenate Complexes of Mercury(II), Including [PPN][Re7C(CO)21Hg(SC(NMe2)2)]","Inorganic Chemistry","2001","40","","4896","4901","10.1021/ic0011213","","","0.71073","MoKα","","0.1711","0.0638","","0.2031","0.1405","","","","1.039","1.176","1.176","","","","","has coordinates","179305","2020-10-21","18:00:00","" "4320225","11.1239","0.0003","15.5365","0.0004","21.0417","0.0005","87.451","0.001","78.011","0.001","89.895","0.001","3553.62","0.16","198","2","198","2","","","","","","","","8","P -1","-P 1","2","","","","- C63 H42 Hg N3 O22 P2 Re7 S -","- C63 H42 Hg N3 O22 P2 Re7 S -","- C126 H84 Hg2 N6 O44 P4 Re14 S2 -","2","1","","Chris A. Wright; Udo Brand; John R. Shapley","Synthesis and Characterization of the Dimercury(I)-Linked Compound [PPN]4[(Re7C(CO)21Hg)2]. Oxidative Cleavage of the Mercury-Mercury Bond Leading to Carbidoheptarhenate Complexes of Mercury(II), Including [PPN][Re7C(CO)21Hg(SC(NMe2)2)]","Inorganic Chemistry","2001","40","","4896","4901","10.1021/ic0011213","","","0.71073","MoKα","","0.1063","0.0491","","","0.104","0.1267","","","","","","0.959","","","","has coordinates","179305","2020-10-21","18:00:00","" "4320226","26.667","0.005","24.686","0.005","18.82","0.004","90","","125.63","0.03","90","","10070","5","293","2","293","2","","","","","","","synthesized","6","C 1 2/c 1","-C 2yc","15","[Ru(dmp)2DPPZ](PF6)2","di-2,9-dimethyl-1,10-phenanthroline,dipyridophenazine, ruthenium(II) hexafluorophosphate","","- C46 H34 F12 N8 P2 Ru -","- C46 H34 F12 N8 P2 Ru -","- C368 H272 F96 N64 P16 Ru8 -","8","1","","Jin-Gang Liu; Qian-Ling Zhang; Xian-Fa Shi; Liang-Nian Ji","Interaction of [Ru(dmp)2(dppz)]2+ and [Ru(dmb)2(dppz)]2+ with DNA: Effects of the Ancillary Ligands on the DNA-Binding Behaviors","Inorganic Chemistry","2001","40","","5045","5050","10.1021/ic001124f","","","0.71073","MoKα","","0.0739","0.0672","","0.188","0.1831","","","","1.175","1.197","1.197","","","","","has coordinates,has disorder","179305","2020-10-21","18:00:00","" "4320227","9.8951","0.0005","11.5287","0.0006","13.6197","0.0007","111.168","0.005","99.008","0.005","100.404","0.005","1382.76","0.14","193","1","193","1","","","","","","","see text","6","P -1","-P 1","2","","","","- C62 H60 B2 Fe2 Li2 N12 -","- C62 H60 B2 Fe2 Li2 N12 -","- C62 H60 B2 Fe2 Li2 N12 -","1","0.5","","ShengLi Guo; Frank Peters; Fabrizia Fabrizi de Biani; Jan W. Bats; Eberhardt Herdtweck; Piero Zanello; Matthias Wagner","Electronic Communication in Oligometallic Complexes with Ferrocene-Based Tris(1-pyrazolyl)borate Ligands","Inorganic Chemistry","2001","40","","4928","4936","10.1021/ic001199j","","","0.71073","MoKα","","0.0399","0.0275","","","0.0612","0.0643","","","","","","0.937","","","","has coordinates","179305","2020-10-21","18:00:00","" "4320228","10.541","0.004","13.099","0.005","16.609","0.007","96.53","0.009","101.598","0.011","102.849","0.009","2159.9","1.5","136","2","136","2","","","","","","","","6","P -1","-P 1","2","","","","- C94 H124 B2 Cu Fe2 N12 -","- C94 H108 B2 Cu Fe2 N12 -","- C94 H108 B2 Cu Fe2 N12 -","1","0.5","","ShengLi Guo; Frank Peters; Fabrizia Fabrizi de Biani; Jan W. Bats; Eberhardt Herdtweck; Piero Zanello; Matthias Wagner","Electronic Communication in Oligometallic Complexes with Ferrocene-Based Tris(1-pyrazolyl)borate Ligands","Inorganic Chemistry","2001","40","","4928","4936","10.1021/ic001199j","","","0.71073","MoKα","","0.2695","0.1482","","","0.2424","0.288","","","","","","1.507","","","","has coordinates","179305","2020-10-21","18:00:00","" "4320229","8.698","0.003","10.001","0.002","10.158","0.002","87.4","0.02","65.1","0.02","81.63","0.02","792.8","0.4","110","","0","","","","","","","","?","6","P -1","-P 1","2","","","","- C20 H47 Cr N14 Ni O4 -","- C19 H47 Cr0.5 N14 Ni O4 -","- C19 H47 Cr0.5 N14 Ni O4 -","1","0.5","","Hui-Zhong Kou; Jin-Kui Tang; Dai-Zheng Liao; Song Gao; Peng Cheng; Zong-Hui Jiang; Shi-Ping Yan; Geng-Lin Wang; Benoît Chansou; Jean-Pierre Tuchagues","Crystal Structures and Magnetic Properties of New Cyano-Bridged Two-Dimensional Grid-Like Bimetallic Assemblies [Ni(tn)2]2[Cr(CN)5((NO)]OH.H2O and [Ni(tn)2]2[Co(CN)6]NO3.2H2O (tn = 1,3-Propanediamine)","Inorganic Chemistry","2001","40","","4839","4844","10.1021/ic0013330","","","0.71073","MoKα","","","0.0601","","","0.0659","","","","","0.9893","0.9893","","","","","has coordinates","211332","2020-10-21","18:00:00","" "4320230","8.937","0.002","9.8628","0.0014","10.0639","0.0011","86.064","0.01","65.489","0.01","81.572","0.012","798.4","0.2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C18 H44 Co N15 Ni2 O5 -","- C18 H40 Co N15 Ni2 O5 -","- C18 H40 Co N15 Ni2 O5 -","1","0.5","","Hui-Zhong Kou; Jin-Kui Tang; Dai-Zheng Liao; Song Gao; Peng Cheng; Zong-Hui Jiang; Shi-Ping Yan; Geng-Lin Wang; Benoît Chansou; Jean-Pierre Tuchagues","Crystal Structures and Magnetic Properties of New Cyano-Bridged Two-Dimensional Grid-Like Bimetallic Assemblies [Ni(tn)2]2[Cr(CN)5((NO)]OH.H2O and [Ni(tn)2]2[Co(CN)6]NO3.2H2O (tn = 1,3-Propanediamine)","Inorganic Chemistry","2001","40","","4839","4844","10.1021/ic0013330","","","0.71073","MoKα","","0.05","0.0433","","0.0457","0.0558","","","","1.015","1.04","1.04","","","","","has coordinates","179305","2020-10-21","18:00:00","" "4320231","7.9347","0.0005","7.9781","0.0005","17.921","0.0011","90","","90","","90","","1134.47","0.12","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","phosphatri(pyrrolyl)methane","P(C4H3N)3CH","","- C13 H10 N3 P -","- C13 H10 N3 P -","- C52 H40 N12 P4 -","4","1","","Thomas S. Barnard; Mark R. Mason","Hindered Axial-Equatorial Carbonyl Exchange in an Fe(CO)4(PR3) Complex of a Rigid Bicyclic Phosphine","Inorganic Chemistry","2001","40","","5001","5009","10.1021/ic001372b","","","0.71073","MoKα","","0.0339","0.0307","","","0.081","0.0831","","","","","","1.04","","","","has coordinates","179305","2020-10-21","18:00:00","" "4320232","10.4807","0.0016","11.3083","0.0014","14.506","0.002","82.139","0.005","72.167","0.005","62.857","0.004","1456.4","0.4","293","2","150","2","","","","","","","","7","P -1","-P 1","2","","Fe(CO)4[P(C9H7N)3CH] 0.5 CH2Cl2","","- C32.5 H23 Cl Fe N3 O4 P -","- C32.5 H23 Cl Fe N3 O4 P -","- C65 H46 Cl2 Fe2 N6 O8 P2 -","2","1","","Thomas S. Barnard; Mark R. Mason","Hindered Axial-Equatorial Carbonyl Exchange in an Fe(CO)4(PR3) Complex of a Rigid Bicyclic Phosphine","Inorganic Chemistry","2001","40","","5001","5009","10.1021/ic001372b","","","0.71073","MoKα","","0.0441","0.0386","","","0.0974","0.102","","","","","","1.018","","","","has coordinates","176467","2020-10-21","18:00:00","" "4320233","8.7425","0.0007","18.0742","0.0013","35.872","0.003","90","","90","","90","","5668.3","0.8","293","2","293","2","","","","","","","","6","P c a b","-P 2bc 2ac","61","","Fe(CO)4[P(C9H8N)3]","","- C31 H24 Fe N3 O4 P -","- C31 H24 Fe N3 O4 P -","- C248 H192 Fe8 N24 O32 P8 -","8","1","","Thomas S. Barnard; Mark R. Mason","Hindered Axial-Equatorial Carbonyl Exchange in an Fe(CO)4(PR3) Complex of a Rigid Bicyclic Phosphine","Inorganic Chemistry","2001","40","","5001","5009","10.1021/ic001372b","","","0.71073","MoKα","","0.1137","0.0533","","","0.0944","0.1105","","","","","","1.013","","","","has coordinates,has disorder","179305","2020-10-21","18:00:00","" "4320234","9.192","0.0003","10.247","0.0008","10.7407","0.0003","86.36","0.005","65.577","0.004","88.141","0.004","919.26","0.09","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","Fe(CO)4[P(NC4H4)3]","","- C16 H12 Fe N3 O4 P -","- C16 H12 Fe N3 O4 P -","- C32 H24 Fe2 N6 O8 P2 -","2","1","","Thomas S. Barnard; Mark R. Mason","Hindered Axial-Equatorial Carbonyl Exchange in an Fe(CO)4(PR3) Complex of a Rigid Bicyclic Phosphine","Inorganic Chemistry","2001","40","","5001","5009","10.1021/ic001372b","","","0.71073","MoKα","","0.082","0.0426","","","0.0949","0.1104","","","","","","0.986","","","","has coordinates","179305","2020-10-21","18:00:00","" "4320235","9.9701","0.0001","15.6703","0.0001","12.5001","0.0002","90","","93.566","0.001","90","","1949.17","0.04","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H17 Cl1.86 O7.14 W -","- C18 H17 Cl1.93 O7 W -","- C72 H68 Cl7.72 O28 W4 -","4","1","","Vladimir Kolesnichenko; Mark H. Mason; Jeff B. Botts; Alix M. Botts; Timothy E. Baroni; Joseph A. Heppert; Arnold L. Rheingold; Louise Liable-Sands; Glenn P. A. Yap","Tungsten Oxo Salicylate Complexes from Tungsten Hexachloride Reactions Systems","Inorganic Chemistry","2001","40","","5010","5016","10.1021/ic001456k","","","0.71073","MoKα","","0.0299","0.0232","","","0.0573","0.0594","","","","","","1.01","","","","has coordinates","179305","2020-10-21","18:00:00","" "4320236","16.983","0.002","21.683","0.003","18.756","0.003","90","","114.23","0.01","90","","6298.3","1.6","251","2","251","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C29 H20 Cl2 O15 W2 -","- C29 H16 Cl2 O15 W2 -","- C232 H128 Cl16 O120 W16 -","8","1","","Vladimir Kolesnichenko; Mark H. Mason; Jeff B. Botts; Alix M. Botts; Timothy E. Baroni; Joseph A. Heppert; Arnold L. Rheingold; Louise Liable-Sands; Glenn P. A. Yap","Tungsten Oxo Salicylate Complexes from Tungsten Hexachloride Reactions Systems","Inorganic Chemistry","2001","40","","5010","5016","10.1021/ic001456k","","","0.71073","MoKα","","0.0663","0.0494","","0.116","0.1108","","","","1.314","1.469","1.469","","","","","has coordinates","179305","2020-10-21","18:00:00","" "4320237","24.7422","0.0015","5.2889","0.0002","16.0338","0.001","90","","117.79","0.002","90","","1856.17","0.18","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C6 H26 N2 O16 P4 Zn -","- C6 H26 N2 O16 P4 Zn -","- C24 H104 N8 O64 P16 Zn4 -","4","0.5","","Hui-Hua Song; Li-Min Zheng; Zheming Wang; Chun-Hua Yan; Xin","Zinc Diphosphonates Templated by Organic Amines: Syntheses and Characterizations of [NH3(CH2)2NH3]Zn(hedpH2)2.2H2O and [NH3(CH2)nNH3]Zn2(hedpH)2.2H2O (n= 4, 5, 6) (hedp = 1-Hydroxyethylidenediphosphonate)","Inorganic Chemistry","2001","40","","5024","5029","10.1021/ic010033v","","","0.71073","MoKα","","0.0612","0.0411","","","0.0955","0.1037","","","","","","1.037","","","","has coordinates","179305","2020-10-21","18:00:00","" "4320238","5.497","0.0003","12.1041","0.0006","16.2814","0.0012","90","","98.619","0.005","90","","1071.07","0.11","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C8 H28 N2 O16 P4 Zn2 -","- C8 H28 N2 O16 P4 Zn2 -","- C16 H56 N4 O32 P8 Zn4 -","2","0.5","","Hui-Hua Song; Li-Min Zheng; Zheming Wang; Chun-Hua Yan; Xin","Zinc Diphosphonates Templated by Organic Amines: Syntheses and Characterizations of [NH3(CH2)2NH3]Zn(hedpH2)2.2H2O and [NH3(CH2)nNH3]Zn2(hedpH)2.2H2O (n= 4, 5, 6) (hedp = 1-Hydroxyethylidenediphosphonate)","Inorganic Chemistry","2001","40","","5024","5029","10.1021/ic010033v","","","0.71073","MoKα","","0.0416","0.0296","","","0.0877","0.0911","","","","","","1.188","","","","has coordinates","179305","2020-10-21","18:00:00","" "4320239","5.5251","0.0002","12.5968","0.0003","16.1705","0.0005","90","","99.1821","0.0016","90","","1111.02","0.06","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C9 H30 N2 O16 P4 Zn2 -","- C9.04 H28 N2 O16 P4 Zn2 -","- C18.08 H56 N4 O32 P8 Zn4 -","2","0.5","","Hui-Hua Song; Li-Min Zheng; Zheming Wang; Chun-Hua Yan; Xin","Zinc Diphosphonates Templated by Organic Amines: Syntheses and Characterizations of [NH3(CH2)2NH3]Zn(hedpH2)2.2H2O and [NH3(CH2)nNH3]Zn2(hedpH)2.2H2O (n= 4, 5, 6) (hedp = 1-Hydroxyethylidenediphosphonate)","Inorganic Chemistry","2001","40","","5024","5029","10.1021/ic010033v","","","0.71073","MoKα","","0.0585","0.0392","","","0.0936","0.1013","","","","","","1.029","","","","has coordinates,has disorder","179305","2020-10-21","18:00:00","" "4320240","5.4785","0.0002","14.194","0.0005","16.0682","0.0006","81.9822","0.0019","89.4348","0.0017","79.679","0.002","1217.11","0.08","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C10 H32 N2 O16 P4 Zn2 -","- C10 H32 N2 O16 P4 Zn2 -","- C20 H64 N4 O32 P8 Zn4 -","2","1","","Hui-Hua Song; Li-Min Zheng; Zheming Wang; Chun-Hua Yan; Xin","Zinc Diphosphonates Templated by Organic Amines: Syntheses and Characterizations of [NH3(CH2)2NH3]Zn(hedpH2)2.2H2O and [NH3(CH2)nNH3]Zn2(hedpH)2.2H2O (n= 4, 5, 6) (hedp = 1-Hydroxyethylidenediphosphonate)","Inorganic Chemistry","2001","40","","5024","5029","10.1021/ic010033v","","","0.71073","MoKα","","0.0563","0.0375","","","0.0884","0.0958","","","","","","1.04","","","","has coordinates,has disorder","179305","2020-10-21","18:00:00","" "4320241","15.128","0.002","11.085","0.002","20.663","0.002","90","","98.78","0.02","90","","3424.5","0.9","296","","296","","","","","","","","local laboratory","6","P 1 21/n 1","-P 2yn","14","","","","- C31 H48 N2 Ni O P4 -","- C32 H40 N2 Ni P4 -","- C128 H160 N8 Ni4 P16 -","4","1","","David A. Aubry; Scott A. Laneman; Frank R. Fronczek; George G. Stanley","Separating the Racemic and Meso Diastereomers of a Binucleating Tetraphosphine Ligand System through the Use of Nickel Chloride","Inorganic Chemistry","2001","40","","5036","5041","10.1021/ic010035f","","","1.54184","Cu-Kα","","0.063","0.063","","0.109","0.084","","","","0.608","1.737","1.737","","","","","has coordinates","176467","2020-10-21","18:00:00","" "4320242","8.431","0.0002","18.5593","0.0003","19.7142","0.0004","95.2808","0.0008","94.3847","0.0007","99.5244","0.001","3016.08","0.11","120","","120","","","","","","","","Local laboratory","6","P -1","-P 1","2","","","","- C27 H42 N2 Ni O P4 -","- C27 H42 N2 Ni O P4 -","- C108 H168 N8 Ni4 O4 P16 -","4","2","","David A. Aubry; Scott A. Laneman; Frank R. Fronczek; George G. Stanley","Separating the Racemic and Meso Diastereomers of a Binucleating Tetraphosphine Ligand System through the Use of Nickel Chloride","Inorganic Chemistry","2001","40","","5036","5041","10.1021/ic010035f","","","0.71073","MoKα","","0.108","0.049","","","0.081","0.099","","","","","","1.031","","","","has coordinates","179305","2020-10-21","18:00:00","" "4320243","17.22","0.002","17.22","0.002","14","0.003","90","","90","","90","","4151.4","1.1","133","2","133","2","","","","","","","","5","I -4","I -4","82","","","","- C24 H20 Al F4 P -","- C24 H20 Al F4 P -","- C192 H160 Al8 F32 P8 -","8","1","","Marilena Ferbinteanu; Herbert W. Roesky; Fanica Cimpoesu; Mihail Atanasov; Sinje Köpke; Regine Herbst-Irmer","New Synthetic and Structural Aspects in the Chemistry of Alkylaluminum Fluorides. The Mutual Influence of Hard and Soft Ligands and the Hybridization as Rigorous Structural Criterion#","Inorganic Chemistry","2001","40","","4947","4955","10.1021/ic010131g","","","0.71073","MoKα","","0.0551","0.0397","","","0.0894","0.0972","","","","","","1.023","","","","has coordinates,has disorder","179305","2020-10-21","18:00:00","" "4320244","19.208","0.004","8.783","0.002","9.72","0.002","90","","90","","90","","1639.8","0.6","133","2","133","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C12 H30 Al F2 N -","- C13 H32 Al F2 N -","- C52 H128 Al4 F8 N4 -","4","0.5","","Marilena Ferbinteanu; Herbert W. Roesky; Fanica Cimpoesu; Mihail Atanasov; Sinje Köpke; Regine Herbst-Irmer","New Synthetic and Structural Aspects in the Chemistry of Alkylaluminum Fluorides. The Mutual Influence of Hard and Soft Ligands and the Hybridization as Rigorous Structural Criterion#","Inorganic Chemistry","2001","40","","4947","4955","10.1021/ic010131g","","","0.71073","MoKα","","0.0744","0.0696","","","0.1816","0.186","","","","","","1.147","","","","has coordinates,has disorder","179305","2020-10-21","18:00:00","" "4320245","13.2555","0.0005","18.6406","0.0008","22.214","0.0009","94.186","0.009","102.273","0.009","94.205","0.009","5326.8","0.4","173","","173","","","","","","","","","5","P -1","-P 1","2","","","","- C129 H101 Cl6 Co2 N11 -","- C129 H94 Cl6 Co2 N11 -","- C258 H188 Cl12 Co4 N22 -","2","1","","Roger Guilard; François Jérôme; Jean-Michel Barbe; Claude P. Gros; Zhongping Ou; Jianguo Shao; Jean Fischer; Raymond Weiss; Karl M. Kadish","Alkyl and Aryl Substituted Corroles. 2. Synthesis and Characterization of Linked ""Face-to-Face"" Biscorroles. X-ray Structure of (BCA)Co2(py)3, Where BCA Represents a Biscorrole with an Anthracenyl Bridge","Inorganic Chemistry","2001","40","","4856","4865","10.1021/ic0101782","","","0.71073","Mo-Kα","","0.124","0.066","","0.105","","0.084","","","1.481","","","1.173","","","","has coordinates","179305","2020-10-21","18:00:00","" "4320246","22.42","0.005","19.57","0.004","24.68","0.005","90","","96.9","0.03","90","","10750","4","90","2","90","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C62 H136 K4 N6 O26 Sn4 Te10 -","- C62 H56 K4 N6 O26 Sn4 Te10 -","- C248 H224 K16 N24 O104 Sn16 Te40 -","4","1","","Ayaaz M. Pirani; Hélène P. A. Mercier; David A. Dixon; Horst Borrmann; Gary J. Schrobilgen","Syntheses, Vibrational Spectra, and Theoretical Studies of the Adamantanoid Sn4Ch104- (Ch = Se, Te) Anions: X-ray Crystal Structures of [18-Crown-6-K]4[Sn4Se10].5en and [18-Crown-6-K]4[Sn4Te10].3en.2THF","Inorganic Chemistry","2001","40","","4823","4829","10.1021/ic010242f","","","0.71073","MoKα","","0.0521","0.0468","","0.1809","0.1741","","","","1.487","1.53","1.53","","","","","has coordinates,has disorder","179305","2020-10-21","18:00:00","" "4320247","22.003","0.002","18.966","0.002","24.392","0.002","90","","97.548","0.008","90","","10090.8","1.6","150","2","150","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C58 H136 K4 N10 O24 Se10 Sn4 -","- C58 H136 K4 N10 O24 Se10 Sn4 -","- C232 H544 K16 N40 O96 Se40 Sn16 -","4","1","","Ayaaz M. Pirani; Hélène P. A. Mercier; David A. Dixon; Horst Borrmann; Gary J. Schrobilgen","Syntheses, Vibrational Spectra, and Theoretical Studies of the Adamantanoid Sn4Ch104- (Ch = Se, Te) Anions: X-ray Crystal Structures of [18-Crown-6-K]4[Sn4Se10].5en and [18-Crown-6-K]4[Sn4Te10].3en.2THF","Inorganic Chemistry","2001","40","","4823","4829","10.1021/ic010242f","","","0.71073","MoKα","","0.1349","0.0843","","0.1859","0.1668","","","","1.029","1.134","1.134","","","","","has coordinates,has disorder","179305","2020-10-21","18:00:00","" "4320248","14.5474","0.0011","37.056","0.002","14.7173","0.0013","90","","93.938","0.01","90","","7914.9","1","223","2","223","2","","","","","","","","6","A 1 2/n 1","-A 2yab","15","","","","- C22 H61 Fe N12 O11.5 Zn1.5 -","- C22 H36 Fe N12 O11.5 Zn1.5 -","- C176 H288 Fe8 N96 O92 Zn12 -","8","1","","Enrique Colacio; Mustapha Ghazi; Helen Stoeckli-Evans; Francesc Lloret; José María Moreno; Cristina Pérez","Cyano-Bridged Bimetallic Assemblies from Hexacyanometalate, [M(CN)6]3- (M = MnIII and FeIII), and [M(N4-macrocycle)]2+ (M = FeIII, NiII and ZnII) Building Blocks. Syntheses, Multidimensional Structures, and Magnetic Properties","Inorganic Chemistry","2001","40","","4876","4883","10.1021/ic0103446","","","0.71073","MoKα","","0.0829","0.0419","","","0.1067","0.1187","","","","","","0.804","","","","has coordinates","176467","2020-10-21","18:00:00","" "4320249","20.462","0.007","16.292","0.004","27.262","0.007","90","","101.29","0.04","90","","8912","5","203","2","203","2","","","","","","","","6","A 1 2/n 1","-A 2yab","15","","","","- C60 H116 Fe2 N24 Ni3 O13 -","- C60 Fe2 N24 Ni3 O13 -","- C240 Fe8 N96 Ni12 O52 -","4","0.5","","Enrique Colacio; Mustapha Ghazi; Helen Stoeckli-Evans; Francesc Lloret; José María Moreno; Cristina Pérez","Cyano-Bridged Bimetallic Assemblies from Hexacyanometalate, [M(CN)6]3- (M = MnIII and FeIII), and [M(N4-macrocycle)]2+ (M = FeIII, NiII and ZnII) Building Blocks. Syntheses, Multidimensional Structures, and Magnetic Properties","Inorganic Chemistry","2001","40","","4876","4883","10.1021/ic0103446","","","0.71073","MoKα","","0.4071","0.139","","","0.2337","0.3751","","","","","","0.546","","","","has coordinates","179305","2020-10-21","18:00:00","" "4320250","14.6195","0.0015","14.6195","0.0015","17.5023","0.0017","90","","90","","120","","3239.6","0.6","150","2","150","2","","","","","","","","7","R -3 :H","-R 3","148","","","","- C24 H50 B2 N18 Na2 O6 S6 -","- C24 H50 B2 N18 Na2 O6 S6 -","- C72 H150 B6 N54 Na6 O18 S18 -","3","0.166667","","Philip J. Bailey; Maurizio Lanfranchi; Luciano Marchiò; Simon Parsons","Hydridotris(thioxotriazolyl)borate (Tt), an Ambidentate (N3/S3) Tripodal Ligand. X-ray Crystal Structures of Sodium, Bismuth(III), Tin(IV), and Manganese(I) Complexes","Inorganic Chemistry","2001","40","","5030","5035","10.1021/ic010398f","","","0.71073","MoKα","","0.0301","0.0284","","","0.0819","0.0825","","","","","","1.117","","","","has coordinates","179305","2020-10-21","18:00:00","" "4320251","13.272","0.003","13.272","0.003","11.728","0.003","90","","90","","120","","1789.1","0.7","293","2","293","2","","","","","","","","7","P -3","-P 3","147","","","","- C25 H50 B N12 Na O4 S3 -","- C21 H40 B N12 Na O3 S3 -","- C42 H80 B2 N24 Na2 O6 S6 -","2","0.333333","","Philip J. Bailey; Maurizio Lanfranchi; Luciano Marchiò; Simon Parsons","Hydridotris(thioxotriazolyl)borate (Tt), an Ambidentate (N3/S3) Tripodal Ligand. X-ray Crystal Structures of Sodium, Bismuth(III), Tin(IV), and Manganese(I) Complexes","Inorganic Chemistry","2001","40","","5030","5035","10.1021/ic010398f","","","0.71073","MoKα","","0.0361","0.0313","","","0.0804","0.0818","","","","","","0.98","","","","has coordinates","179305","2020-10-21","18:00:00","" "4320252","13.941","0.005","13.941","0.005","22.285","0.009","90","","90","","120","","3751","2","293","2","293","2","","","","","","","","8","R -3 :H","-R 3","148","","","","- C26 H53 B2 Bi Cl N19 O6 S6 -","- C24 H38 B2 Bi Cl N18 S6 -","- C72 H114 B6 Bi3 Cl3 N54 S18 -","3","0.166667","","Philip J. Bailey; Maurizio Lanfranchi; Luciano Marchiò; Simon Parsons","Hydridotris(thioxotriazolyl)borate (Tt), an Ambidentate (N3/S3) Tripodal Ligand. X-ray Crystal Structures of Sodium, Bismuth(III), Tin(IV), and Manganese(I) Complexes","Inorganic Chemistry","2001","40","","5030","5035","10.1021/ic010398f","","","0.71073","MoKα","","0.0392","0.0377","","","0.0831","0.0834","","","","","","0.948","","","","has coordinates","179305","2020-10-21","18:00:00","" "4320253","16.397","0.002","11.1712","0.0019","12.9856","0.0015","90","","105.936","0.002","90","","2287.2","0.5","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C12 H19 B Cl3 N9 S3 Sn -","- C12 H19 B Cl3 N9 S3 Sn -","- C48 H76 B4 Cl12 N36 S12 Sn4 -","4","1","","Philip J. Bailey; Maurizio Lanfranchi; Luciano Marchiò; Simon Parsons","Hydridotris(thioxotriazolyl)borate (Tt), an Ambidentate (N3/S3) Tripodal Ligand. X-ray Crystal Structures of Sodium, Bismuth(III), Tin(IV), and Manganese(I) Complexes","Inorganic Chemistry","2001","40","","5030","5035","10.1021/ic010398f","","","0.71073","MoKα","","0.0218","0.0197","","","0.0547","0.0554","","","","","","1.047","","","","has coordinates","179305","2020-10-21","18:00:00","" "4320254","21.56","0.008","14.499","0.005","15.183","0.006","90","","105.73","0.008","90","","4568","3","293","2","293","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C15 H19 B Mn N9 O3 S3 -","- C15 H19 B Mn N9 O3 S3 -","- C120 H152 B8 Mn8 N72 O24 S24 -","8","1","","Philip J. Bailey; Maurizio Lanfranchi; Luciano Marchiò; Simon Parsons","Hydridotris(thioxotriazolyl)borate (Tt), an Ambidentate (N3/S3) Tripodal Ligand. X-ray Crystal Structures of Sodium, Bismuth(III), Tin(IV), and Manganese(I) Complexes","Inorganic Chemistry","2001","40","","5030","5035","10.1021/ic010398f","","","0.71073","MoKα","","0.147","0.056","","","0.1094","0.1353","","","","","","0.794","","","","has coordinates","179305","2020-10-21","18:00:00","" "4320255","15.762","0.0008","16.2456","0.0008","23.8218","","103.916","0.002","104.504","0.003","94.232","0.003","5673.6","0.4","108","","108","","","","","","","","","5","P -1","-P 1","2","","","","- C65 H106 Cl18 Mn12 O48 -","- C64.52 H98 Cl17.2432 Mn12 O48 -","- C129.04 H196 Cl34.4865 Mn24 O96 -","2","1","","Mònica Soler; Pau Artus; Kirsten Folting; John C. Huffman; David N. Hendrickson; George Christou","Single-Molecule Magnets: Preparation and Properties of Mixed-Carboxylate Complexes [Mn12O12(O2CR)8(O2CR')8(H2O)4]","Inorganic Chemistry","2001","40","","4902","4912","10.1021/ic0104048","","","0.71069","MoKα","","","0.0556","","","","0.0534","","","","","","2.0252","","","","has coordinates,has disorder","179305","2020-10-21","18:00:00","" "4320256","13.4635","0.0003","13.5162","0.0003","23.261","0.0005","84.9796","0.0006","89.0063","0.0008","86.2375","0.0006","4207.31","0.16","115","2","115","2","","","","","","","","5","P -1","-P 1","2","","","","- C41 H56 Cl18 Mn12 O47 -","- C40.6118 H43 Cl18.7591 Mn12 O47 -","- C81.2236 H86 Cl37.5182 Mn24 O94 -","2","1","","Mònica Soler; Pau Artus; Kirsten Folting; John C. Huffman; David N. Hendrickson; George Christou","Single-Molecule Magnets: Preparation and Properties of Mixed-Carboxylate Complexes [Mn12O12(O2CR)8(O2CR')8(H2O)4]","Inorganic Chemistry","2001","40","","4902","4912","10.1021/ic0104048","","","0.71073","MoKα","","","0.0695","","","","0.0948","","","","","","1.6323","","","","has coordinates,has disorder","179305","2020-10-21","18:00:00","" "4320257","29.172","0.006","37.665","0.008","31.502","0.006","90","","96.11","0.03","90","","34417","12","173","2","173","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C150 H372 Al69 Li3 N18 O12 Si36 -","- C150 H372 Al69 Li3 N18 O12 Si36 -","- C600 H1488 Al276 Li12 N72 O48 Si144 -","4","0.5","","Harald Köhnlein; Andreas Purath; Christoph Klemp; Elke Baum; Ingo Krossing; Gregor Stösser; Hansgeorg Schnöckel","Synthesis and Characterization of an Al693- Cluster with 51 Naked Al Atoms: Analogies and Differences to the Previously Characterized Al772- Cluster","Inorganic Chemistry","2001","40","","4830","4838","10.1021/ic0104297","","","0.71073","MoKα","","0.2523","0.1296","","","0.3705","0.4279","","","","","","1.204","","","","has coordinates","179305","2020-10-21","18:00:00","" "4320258","28.6252","0.0018","28.4753","0.0013","43.545","0.002","90","","107.328","0.007","90","","33883","3","200","2","200","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C117 H333 Al69 Li1.5 N18 O5 Si36 -","- C117 H333 Al69 Li1.5 N18 O5 Si36 -","- C468 H1332 Al276 Li6 N72 O20 Si144 -","4","1","","Harald Köhnlein; Andreas Purath; Christoph Klemp; Elke Baum; Ingo Krossing; Gregor Stösser; Hansgeorg Schnöckel","Synthesis and Characterization of an Al693- Cluster with 51 Naked Al Atoms: Analogies and Differences to the Previously Characterized Al772- Cluster","Inorganic Chemistry","2001","40","","4830","4838","10.1021/ic0104297","","","0.71073","MoKα","","0.1451","0.1152","","","0.28","0.2907","","","","","","2.68","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00","" "4320259","8.2616","0.0007","12.2727","0.001","8.2855","0.0006","90","","90.295","0.004","90","","840.07","0.12","100","2","100","2","","","","","","","","5","P 1 2/m 1","-P 2y","10","compound_1","","","- C8 H21 Au Cl4 O6 -","- C8 H16 Au Cl4 O6 -","- C16 H32 Au2 Cl8 O12 -","2","0.5","","Maria Calleja; Karin Johnson; Warwick J. Belcher; Jonathan W. Steed","Oxonium Ions from Aqua Regia: Isolation by Hydrogen Bonding to Crown Ethers","Inorganic Chemistry","2001","40","","4978","4985","10.1021/ic010468i","","","0.71073","MoKα","","0.0461","0.0364","","","0.0809","0.0858","","","","","","1.055","","","","has coordinates,has disorder","179305","2020-10-21","18:00:00","" "4320260","7.9485","0.0003","18.7082","0.0007","13.993","0.0006","90","","104.341","0.001","90","","2015.95","0.14","123","2","123","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C10 H27 Au Cl4 O8 -","- C10 H20 Au Cl4 O8 -","- C40 H80 Au4 Cl16 O32 -","4","2","","Maria Calleja; Karin Johnson; Warwick J. Belcher; Jonathan W. Steed","Oxonium Ions from Aqua Regia: Isolation by Hydrogen Bonding to Crown Ethers","Inorganic Chemistry","2001","40","","4978","4985","10.1021/ic010468i","","","0.7107","MoKα","","0.0762","0.0582","","","0.1574","0.1743","","","","","","1.046","","","","has coordinates","179305","2020-10-21","18:00:00","" "4320261","9.295","0.0006","10.2293","0.0011","11.6412","0.0011","64.767","0.001","88.627","0.001","66.994","0.001","907.98","0.14","123","2","123","2","","","","","","","","5","P -1","-P 1","2","compound_3","","","- C28 H45 Au Cl4 O12 -","- C28 H45 Au Cl4 O12 -","- C28 H45 Au Cl4 O12 -","1","0.5","","Maria Calleja; Karin Johnson; Warwick J. Belcher; Jonathan W. Steed","Oxonium Ions from Aqua Regia: Isolation by Hydrogen Bonding to Crown Ethers","Inorganic Chemistry","2001","40","","4978","4985","10.1021/ic010468i","","","0.7107","MoKα","","0.0286","0.0279","","","0.0642","0.0643","","","","","","1.06","","","","has coordinates","176467","2020-10-21","18:00:00","" "4320262","8.71","0.003","10.2103","0.0004","12.0284","0.0005","90","","90","","90","","1069.7","0.4","100","2","100","2","","","","","","","","5","P b a m","-P 2 2ab","55","compound_4_I","","","- C12 H27 Au Cl4 O7 -","- C12 H24 Au Cl4 O7 -","- C24 H48 Au2 Cl8 O14 -","2","0.25","","Maria Calleja; Karin Johnson; Warwick J. Belcher; Jonathan W. Steed","Oxonium Ions from Aqua Regia: Isolation by Hydrogen Bonding to Crown Ethers","Inorganic Chemistry","2001","40","","4978","4985","10.1021/ic010468i","","","0.7107","MoKα","","0.0245","0.022","","","0.0482","0.0492","","","","","","1.073","","","","has coordinates","179305","2020-10-21","18:00:00","" "4320263","13.4509","0.0008","12.0398","0.0007","20.275","0.0011","90","","100.084","0.001","90","","3232.7","0.3","123","2","123","2","","","","","","","","5","P 1 2/m 1","-P 2y","10","compound_4_II","","","- C12 H27 Au Cl4 O7 -","- C12 H24 Au Cl4 O7 -","- C72 H144 Au6 Cl24 O42 -","6","1.5","","Maria Calleja; Karin Johnson; Warwick J. Belcher; Jonathan W. Steed","Oxonium Ions from Aqua Regia: Isolation by Hydrogen Bonding to Crown Ethers","Inorganic Chemistry","2001","40","","4978","4985","10.1021/ic010468i","","","0.7107","MoKα","","0.1735","0.0871","","","0.2364","0.2632","","","","","","1.233","","","","has coordinates","179305","2020-10-21","18:00:00","" "4320264","7.7268","0.0003","8.5254","0.0004","11.6999","0.0006","85.438","0.001","88.43","0.001","73.801","0.001","737.77","0.06","123","2","123","2","","","","","","","","5","P -1","-P 1","2","compound_5","","","- C24 H37 Au Cl4 O10 -","- C24 H37 Au Cl4 O10 -","- C24 H37 Au Cl4 O10 -","1","0.5","","Maria Calleja; Karin Johnson; Warwick J. Belcher; Jonathan W. Steed","Oxonium Ions from Aqua Regia: Isolation by Hydrogen Bonding to Crown Ethers","Inorganic Chemistry","2001","40","","4978","4985","10.1021/ic010468i","","","0.7107","MoKα","","0.0436","0.0435","","","0.1148","0.1149","","","","","","1.083","","","","has coordinates","179305","2020-10-21","18:00:00","" "4320265","7.1538","0.0007","11.2743","0.0011","15.4753","0.0011","77.395","0.006","79.995","0.006","82.499","0.005","1193.95","0.19","123","2","293","2","","","","","","","","6","P -1","-P 1","2","compound_7","","","- C16 H26 Au Cl4 N O9 -","- C16 H26 Au Cl4 N O9 -","- C32 H52 Au2 Cl8 N2 O18 -","2","1","","Maria Calleja; Karin Johnson; Warwick J. Belcher; Jonathan W. Steed","Oxonium Ions from Aqua Regia: Isolation by Hydrogen Bonding to Crown Ethers","Inorganic Chemistry","2001","40","","4978","4985","10.1021/ic010468i","","","0.71073","MoKα","","0.0839","0.0544","","","0.1012","0.1109","","","","","","1.069","","","","has coordinates,has disorder","179305","2020-10-21","18:00:00","" "4320266","20.49","0.002","12.39","0.001","21.171","0.002","90","","91.536","0.006","90","","5372.8","0.8","100","2","100","2","","","","","","","","5","C 1 c 1","C -2yc","9","compound_8","","","- C40 H51 Au Cl12 O17 -","- C40 H40 Au Cl12 O17 -","- C160 H160 Au4 Cl48 O68 -","4","1","","Maria Calleja; Karin Johnson; Warwick J. Belcher; Jonathan W. Steed","Oxonium Ions from Aqua Regia: Isolation by Hydrogen Bonding to Crown Ethers","Inorganic Chemistry","2001","40","","4978","4985","10.1021/ic010468i","","","0.71073","MoKα","","0.1304","0.0671","","","0.1132","0.1361","","","","","","1.021","","","","has coordinates","179305","2020-10-21","18:00:00","" "4320267","11.4366","0.0009","13.6666","0.0015","24.949","0.003","90","","90.487","0.006","90","","3899.4","0.7","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","compound_9","","","- C28 H45 Au Cl4 N2 O17 -","- C28 H37 Au Cl4 N2 O17 -","- C112 H148 Au4 Cl16 N8 O68 -","4","1","","Maria Calleja; Karin Johnson; Warwick J. Belcher; Jonathan W. Steed","Oxonium Ions from Aqua Regia: Isolation by Hydrogen Bonding to Crown Ethers","Inorganic Chemistry","2001","40","","4978","4985","10.1021/ic010468i","","","0.71073","MoKα","","0.1681","0.0927","","","0.1648","0.1893","","","","","","1.09","","","","has coordinates,has disorder","179305","2020-10-21","18:00:00","" "4320268","10.7872","0.0003","10.8787","0.0003","17.447","0.0005","78.847","0.0012","88.3583","0.0011","64.1491","0.0013","1804.14","0.09","113","","113","2","","","","","","","","6","P -1","-P 1","2","","","","- C33 H56 N2 O Si2 Zn -","- C33 H56 N2 O Si2 Zn -","- C66 H112 N4 O2 Si4 Zn2 -","2","1","","Malcolm H. Chisholm; Judith C. Gallucci; Hongshi Zhen; John C. Huffman","Three-Coordinate Zinc Amide and Phenoxide Complexes Supported by a Bulky Schiff Base Ligand","Inorganic Chemistry","2001","40","","5051","5054","10.1021/ic010560e","","","0.71073","MoKα","","","0.028","","","","0.0321","","","","","","0.7396","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00","" "4320269","14.501","0.004","14.397","0.004","20.191","0.004","90","","106.999","0.013","90","","4031.1","1.8","115","2","115","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C44 H48 N4 O6 Zn -","- C44 H48 N4 O6 Zn -","- C176 H192 N16 O24 Zn4 -","4","1","","Malcolm H. Chisholm; Judith C. Gallucci; Hongshi Zhen; John C. Huffman","Three-Coordinate Zinc Amide and Phenoxide Complexes Supported by a Bulky Schiff Base Ligand","Inorganic Chemistry","2001","40","","5051","5054","10.1021/ic010560e","","","0.71073","MoKα","","","0.0277","","","","0.0254","","","","","","0.5593","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00","" "4320270","10.8679","0.0001","18.0093","0.0001","19.5705","0.0001","90","","90","","90","","3830.4","0.05","200","","200","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C41 H59 N O2 Zn -","- C41 H59 N O2 Zn -","- C164 H236 N4 O8 Zn4 -","4","1","","Malcolm H. Chisholm; Judith C. Gallucci; Hongshi Zhen; John C. Huffman","Three-Coordinate Zinc Amide and Phenoxide Complexes Supported by a Bulky Schiff Base Ligand","Inorganic Chemistry","2001","40","","5051","5054","10.1021/ic010560e","","","0.71073","MoKα","","0.0405","0.0339","","0.0807","0.0778","","","","1.032","1.048","1.048","","","","","has coordinates","179305","2020-10-21","18:00:00","" "4320271","21.669","0.006","21.669","0.006","21.669","0.006","90","","90","","90","","10175","5","212","2","212","2","","","","","","","","9","P a -3","-P 2ac 2ab 3","205","none","Bis(tetra(mu3-thio)(phosporoustrihydroxo)trichlorohexaaquatrimolybdenum palladium) cucurbituril dichloride dodecahydrate","","- C36 H106 Cl8 Mo6 N24 O50 P2 Pd2 S8 -","- C36 H36 Cl7.98 Mo6 N24 O49.98 P2 Pd2 S8 -","- C144 H144 Cl31.92 Mo24 N96 O199.92 P8 Pd8 S32 -","4","0.166667","","Maxim N. Sokolov; Alexander V.Virovets; Danil N. Dybtsev; Elena V. Chubarova; Vladimir P.Fedin; Dieter Fenske","Phosphorous Acid and Arsenious Acid as Ligands","Inorganic Chemistry","2001","40","","4816","4817","10.1021/ic015520p","","","0.71073","MoKα","","0.0998","0.0599","","","0.1462","0.1771","","","","","","1.117","","","","has coordinates","179305","2020-10-21","18:00:00","" "4320272","21.7016","0.0012","21.7016","0.0012","21.7016","0.0012","90","","90","","90","","10220.6","1","298","2","298","2","","","","","","","","9","P a -3","-P 2ac 2ab 3","205","none","Bis(tetra(mu3-thio)(arsenictrihydroxo)trichlorohexaaquatrimolybdenum palladium) cucurbituril dichloride nanodecahydrate","","- C36 H104 As2 Cl8 Mo6 N24 O49 Pd2 S8 -","- C36 H36 As2 Cl7.98 Mo6 N24 O49.02 Pd2 S8 -","- C144 H144 As8 Cl31.92 Mo24 N96 O196.08 Pd8 S32 -","4","0.166667","","Maxim N. Sokolov; Alexander V.Virovets; Danil N. Dybtsev; Elena V. Chubarova; Vladimir P.Fedin; Dieter Fenske","Phosphorous Acid and Arsenious Acid as Ligands","Inorganic Chemistry","2001","40","","4816","4817","10.1021/ic015520p","","","0.71073","MoKα","","0.0838","0.0587","","","0.1512","0.1663","","","","","","1.056","","","","has coordinates","179305","2020-10-21","18:00:00","" "4320273","12.539","0.003","17.01","0.003","21.027","0.004","90","","90","","90","","4484.8","1.6","293","2","293","2","","","","","","","","5","P n n m","-P 2 2n","58","","","","- C36 H120 K7 O81 Ta7 -","- C36 H70 K6 O82.8 Ta7 -","- C72 H140 K12 O165.6 Ta14 -","2","0.25","","Bernd Morgenstern; Jürgen Sander; Volker Huch; Kaspar Hegetschweiler","Complexation of a Heptanuclear Polyoxotantalate Anion with K+: Formation of a Supramolecular [K6-(μ-OH2)6-(OH2)8]6+ Ring Structure","Inorganic Chemistry","2001","40","","5307","5310","10.1021/ic0010858","","","0.71073","MoKα","","0.0342","0.0286","","","0.0757","0.0778","","","","","","1.045","","","","has coordinates,has disorder","179305","2020-10-21","18:00:00","" "4320274","8.767","0.003","13.443","0.005","15.447","0.004","90","","90","","90","","1820.5","1","293","2","293","2","","","","","","","synthesized by the authors, see text","5","P 21 21 21","P 2ac 2ab","19","","","","- C13 H24 Ir P S4 -","- C13 H24 Ir P S4 -","- C52 H96 Ir4 P4 S16 -","4","1","","Bouchra El Mouatassim; Céline Pearson; Alan Shaver","The Preparation of (η5-C5Me5)Ir(PMe3)S4 from (η5-C5Me5)Ir(PMe3)(SH)2 and SO2","Inorganic Chemistry","2001","40","","5290","5291","10.1021/ic001385p","","","0.7093","MoKå","","0.0638","0.0531","","0.1331","","0.1261","","","1.017","","","1.029","","","","has coordinates,has Fobs","179305","2020-10-21","18:00:00","" "4320275","10.4369","0.0013","14.182","0.002","21.891","0.003","90","","94.22","0.002","90","","3231.4","0.8","153.2","","153.2","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C44 H90 Cl8 N2 O12 W6 -","- C44 H90 Cl8 N2 O12 W6 -","- C88 H180 Cl16 N4 O24 W12 -","2","0.5","","Charles S. Weinert; Nicholas Prokopuk; Stephanie M. Arendt; Charlotte L. Stern; Duward F. Shriver","Preparation and Substitution Chemistry of [Bu4N]2[W6Cl8(p-OSO2C6H4CH3)6]. A Useful Precursor for Pseudohalide, Acetate, and Organometallic Complexes Containing the {W6Cl8}4+ Core","Inorganic Chemistry","2001","40","","5162","5168","10.1021/ic001480y","","","0.7107","MoKα","","0.0484","","","0.065","","","","","1.188","","","1.33","","","","has coordinates","176467","2020-10-21","18:00:00","" "4320276","24.532","","15.8886","","25.3159","","90","","90","","90","","9867.61","","153.2","","153.2","","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C76 H118 Cl12 N2 O18 S6 W6 -","- C76 H118 Cl12 N2 O18 S6 W6 -","- C304 H472 Cl48 N8 O72 S24 W24 -","4","0.5","","Charles S. Weinert; Nicholas Prokopuk; Stephanie M. Arendt; Charlotte L. Stern; Duward F. Shriver","Preparation and Substitution Chemistry of [Bu4N]2[W6Cl8(p-OSO2C6H4CH3)6]. A Useful Precursor for Pseudohalide, Acetate, and Organometallic Complexes Containing the {W6Cl8}4+ Core","Inorganic Chemistry","2001","40","","5162","5168","10.1021/ic001480y","","","0.7107","MoKα","","0.0362","","","0.056","","","","","1.227","","","1.36","","","","has coordinates","176467","2020-10-21","18:00:00","" "4320277","11.2034","0.0009","16.471","0.001","20.038","0.002","90","","95.625","0.002","90","","3679.8","0.5","153.2","","153.2","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C42.5 H67 Cl9 N8 O Se6 W6 -","- C42.492 H62 Cl9 N8 O Se6 W6 -","- C84.984 H124 Cl18 N16 O2 Se12 W12 -","2","0.5","","Charles S. Weinert; Nicholas Prokopuk; Stephanie M. Arendt; Charlotte L. Stern; Duward F. Shriver","Preparation and Substitution Chemistry of [Bu4N]2[W6Cl8(p-OSO2C6H4CH3)6]. A Useful Precursor for Pseudohalide, Acetate, and Organometallic Complexes Containing the {W6Cl8}4+ Core","Inorganic Chemistry","2001","40","","5162","5168","10.1021/ic001480y","","","0.7107","MoKα","","0.1272","","","0.101","","","","","0.808","","","1.36","","","","has coordinates","176467","2020-10-21","18:00:00","" "4320278","10.885","0.005","14.577","0.006","12.064","0.006","90","","92.72","0.03","90","","1912","1.5","297","","297","","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C32 H48 B Cl2 F4 P4 Rh -","- C32 H40 B Cl2 F4 P4 Rh -","- C64 H80 B2 Cl4 F8 P8 Rh2 -","2","1","","Clinton Hunt; Frank R. Fronczek; Damon R. Billodeaux; George G. Stanley","A Monometallic Rh(III) Tetraphosphine Complex: Reductive Activation of CH2Cl2 and Selective Meso to Racemic Tetraphosphine Ligand Isomerization","Inorganic Chemistry","2001","40","","5192","5198","10.1021/ic010003s","","","1.54184","Cu-Kα","","0.193","0.083","","0.139","0.074","","","","1.964","1.033","1.033","","","","","has coordinates","176432","2020-10-21","18:00:00","" "4320279","10.712","0.001","14.467","0.002","21.619","0.001","90","","98.21","0.01","90","","3316","0.6","100","","100","","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C26 H44 B Cl2 F4 O P4 Rh -","- C26 H44 B Cl2 F4 O P4 Rh -","- C104 H176 B4 Cl8 F16 O4 P16 Rh4 -","4","1","","Clinton Hunt; Frank R. Fronczek; Damon R. Billodeaux; George G. Stanley","A Monometallic Rh(III) Tetraphosphine Complex: Reductive Activation of CH2Cl2 and Selective Meso to Racemic Tetraphosphine Ligand Isomerization","Inorganic Chemistry","2001","40","","5192","5198","10.1021/ic010003s","","","0.71073","Mo-Kα","","0.037","0.03","","0.046","0.038","","","","1.281","1.084","1.084","","","","","has coordinates","176467","2020-10-21","18:00:00","" "4320280","10.709","0.002","14.263","0.003","25.065","0.005","90","","90","","90","","3828.5","1.3","100","","100","","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C27.13 H42 B Cl6.88 F4 P2 Rh -","- C27.127 H42 B Cl6 F4 P4 Rh -","- C108.508 H168 B4 Cl24 F16 P16 Rh4 -","4","1","","Clinton Hunt; Frank R. Fronczek; Damon R. Billodeaux; George G. Stanley","A Monometallic Rh(III) Tetraphosphine Complex: Reductive Activation of CH2Cl2 and Selective Meso to Racemic Tetraphosphine Ligand Isomerization","Inorganic Chemistry","2001","40","","5192","5198","10.1021/ic010003s","","","0.71073","MoKα","","0.049","0.036","","","0.089","0.097","","","","","","0.861","","","","has coordinates","179305","2020-10-21","18:00:00","" "4320281","10.6401","0.0015","25.826","0.004","12.042","0.002","90","","106.338","0.002","90","","3175.4","0.8","193","2","193","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Bis-5,5'-(1,3-propanediyldiimino)-2,2-dimethyl-4-hexene-3-onato samarium bis(trimethylsilyl)-amido","","- C25 H50 N3 O2 Si2 Sm -","- C25 H50 N3 O2 Si2 Sm -","- C100 H200 N12 O8 Si8 Sm4 -","4","1","","Steven A. Schuetz; Victor W. Day; Roger D. Sommer; Arnold L. Rheingold; John A. Belot","Anhydrous Lanthanide Schiff Base Complexes and Their Preparation Using Lanthanide Triflate Derived Amides","Inorganic Chemistry","2001","40","","5292","5295","10.1021/ic010060l","","","0.71073","MoKα","","0.0609","0.0327","","0.0616","0.0562","","","","0.939","1.02","1.02","","","","","has coordinates","179305","2020-10-21","18:00:00","" "4320282","14.5904","0.0008","16.802","0.0009","27.1129","0.0014","90","","90.618","0.001","90","","6646.3","0.6","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Bis-5,5'-(1,3-propanediyldiimino)-2,2-dimethyl-3-neodymium dimer","","- C62 H108 N6 Nd2 O6 -","- C57 H95 N6 Nd2 O6 -","- C228 H380 N24 Nd8 O24 -","4","1","","Schuetz, Steven A.; Day, Victor W.; Sommer, Roger D.; Rheingold, Arnold L.; Belot, John A.","Anhydrous Lanthanide Schiff Base Complexes and Their Preparation Using Lanthanide Triflate Derived Amides","Inorganic Chemistry","2001","40","","5292","5295","10.1021/ic010060l","","","0.71073","MoKα","","0.0638","0.0404","","","0.0884","0.0938","","","","","","0.994","","","","has coordinates,has disorder","264767","2021-05-03","11:49:36","" "4320283","11.3495","0.0005","8.4819","0.0004","28.2513","0.0019","90","","90","","90","","2719.6","0.3","200","3","200","3","","","","","","","provided by O. Ruscitti","5","P b c a","-P 2ac 2ab","61","TeBr","","","- C12 H6 Br2 F4 Te -","- C12 H6 Br2 F4 Te -","- C96 H48 Br16 F32 Te8 -","8","1","","Thomas M. Klapötke; Burkhard Krumm; Peter Mayer; Kurt Polborn; Oliver P. Ruscitti","Spectroscopic and Structural Studies on Polyfluorophenyl Tellurides and Tellurium(IV) Dihalides","Inorganic Chemistry","2001","40","","5169","5176","10.1021/ic010149r","","","0.71073","MoKα","","0.032","0.0211","","","0.0452","0.047","","","","","","0.919","","","","has coordinates","201982","2020-10-21","18:00:00","" "4320284","15.042","0.003","5.018","0.0006","10.3051","0.0014","90","","90.884","0.019","90","","777.7","0.2","200","3","200","3","","","","","","","provided by O. Ruscitti","3","P 1 21 1","P 2yb","4","TeCF3","","","- C14 F14 Te -","- C14 F14 Te -","- C28 F28 Te2 -","2","1","","Thomas M. Klapötke; Burkhard Krumm; Peter Mayer; Kurt Polborn; Oliver P. Ruscitti","Spectroscopic and Structural Studies on Polyfluorophenyl Tellurides and Tellurium(IV) Dihalides","Inorganic Chemistry","2001","40","","5169","5176","10.1021/ic010149r","","","0.71073","MoKα","","0.0555","0.045","","","0.1071","0.1113","","","","","","0.99","","","","has coordinates,has disorder","179305","2020-10-21","18:00:00","" "4320285","18.0889","0.0009","18.0889","0.0009","15.4579","0.0009","90","","90","","90","","5058","0.5","200","3","200","3","","","","","","","provided by O. Ruscitti","4","I 41/a c d :2","-I 4bd 2c","142","TeF","","","- C12 H6 F6 Te -","- C12 H6 F6 Te -","- C192 H96 F96 Te16 -","16","0.5","","Thomas M. Klapötke; Burkhard Krumm; Peter Mayer; Kurt Polborn; Oliver P. Ruscitti","Spectroscopic and Structural Studies on Polyfluorophenyl Tellurides and Tellurium(IV) Dihalides","Inorganic Chemistry","2001","40","","5169","5176","10.1021/ic010149r","","","0.71073","MoKα","","0.0212","0.0174","","","0.0398","0.041","","","","","","1.054","","","","has coordinates","179305","2020-10-21","18:00:00","" "4320286","11.163","0.0006","8.2","0.0004","27.9865","0.0013","90","","90","","90","","2561.8","0.2","200","3","200","3","","","","","","","provided by O. Ruscitti","5","P b c a","-P 2ac 2ab","61","TeCl","","","- C12 H6 Cl2 F4 Te -","- C12 H6 Cl2 F4 Te -","- C96 H48 Cl16 F32 Te8 -","8","1","","Thomas M. Klapötke; Burkhard Krumm; Peter Mayer; Kurt Polborn; Oliver P. Ruscitti","Spectroscopic and Structural Studies on Polyfluorophenyl Tellurides and Tellurium(IV) Dihalides","Inorganic Chemistry","2001","40","","5169","5176","10.1021/ic010149r","","","0.71073","MoKα","","0.0495","0.0401","","","0.0983","0.1029","","","","","","0.989","","","","has coordinates","201982","2020-10-21","18:00:00","" "4320287","13.7666","0.0007","6.5075","0.0003","20.5438","0.0012","90","","108.971","0.006","90","","1740.47","0.17","200","3","200","3","","","","","","","provided by O. Ruscitti","4","P 1 21/n 1","-P 2yn","14","","","","- C14 Cl2 F14 Te -","- C14 Cl2 F14 Te -","- C56 Cl8 F56 Te4 -","4","1","","Thomas M. Klapötke; Burkhard Krumm; Peter Mayer; Kurt Polborn; Oliver P. Ruscitti","Spectroscopic and Structural Studies on Polyfluorophenyl Tellurides and Tellurium(IV) Dihalides","Inorganic Chemistry","2001","40","","5169","5176","10.1021/ic010149r","","","0.71073","MoKα","","0.0281","0.0247","","","0.0657","0.0739","","","","","","1.138","","","","has coordinates","201982","2020-10-21","18:00:00","" "4320288","9.324","0.002","7.512","0.003","9.687","0.002","90","0.03","106.82","0.02","90","0.02","649.5","0.3","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C12 F10 Te -","- C12 F10 Te -","- C24 F20 Te2 -","2","1","","Thomas M. Klapötke; Burkhard Krumm; Peter Mayer; Kurt Polborn; Oliver P. Ruscitti","Spectroscopic and Structural Studies on Polyfluorophenyl Tellurides and Tellurium(IV) Dihalides","Inorganic Chemistry","2001","40","","5169","5176","10.1021/ic010149r","","","0.71073","MoKα","","0.0287","0.0273","","0.0784","0.0739","","","","1.278","1.225","1.225","","","","","has coordinates","201982","2020-10-21","18:00:00","" "4320289","13.6142","0.0007","12.7895","0.0006","19.054","0.001","90","","101.72","0.001","90","","3248.5","0.3","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C30 H41 N5 Si2 W -","- C30 H41 N5 Si2 W -","- C120 H164 N20 Si8 W4 -","4","1","","R. C. Mills; S. Y. S. Wang; K. A. Abboud; J. M. Boncella","Coordinatively Unsaturated W(IV)-Bis(pyridine) Complexes, a Reactive Source of W(IV)","Inorganic Chemistry","2001","40","","5077","5082","10.1021/ic010195r","","","0.71073","MoKα","","0.0366","0.0248","","","0.0563","0.0626","","","","","","1.034","","","","has coordinates","179305","2020-10-21","18:00:00","" "4320290","10.074","0.0007","12.0912","0.0009","15.336","0.001","69.341","0.001","78.022","0.001","76.008","0.001","1680.6","0.2","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C31 H42 N5 O1.5 Si2 W -","- C31 H42 N5 O1.5 Si2 W -","- C62 H84 N10 O3 Si4 W2 -","2","1","","R. C. Mills; S. Y. S. Wang; K. A. Abboud; J. M. Boncella","Coordinatively Unsaturated W(IV)-Bis(pyridine) Complexes, a Reactive Source of W(IV)","Inorganic Chemistry","2001","40","","5077","5082","10.1021/ic010195r","","","0.71073","MoKα","","0.0359","0.0307","","","0.0748","0.0801","","","","","","1.061","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00","" "4320291","12.66","0.005","12.812","0.007","16.29","0.005","109.89","0.03","97.93","0.03","97.47","0.03","2416","1.9","296","","296","","","","","","","","","6","P -1","-P 1","2","","","","- C60 H40 Cr2 N8 O4 S48 -","- C60 H32 Cr2 N8 O4 S48 -","- C60 H32 Cr2 N8 O4 S48 -","1","0.5","","Smaïl Triki; Florence Bérézovsky; Jean Sala Pala; Carlos J. Gómez-García; Eugenio Coronado; Karine Costuas; Jean-François Halet","New Charge Transfer Salts Based on Bis(ethylenedithio)tetrathiafulvalene (ET) and Ferro- or Antiferromagnetic Oxalato-Bridged Dinuclear Anions: Syntheses, Structures and Magnetism of ET5[MM'(C2O4)(NCS)8] with MM' = CrIIIFeIII, CrIIICrIII","Inorganic Chemistry","2001","40","","5127","5132","10.1021/ic010197b","","","0.71073","Mo-Kα","","0.259","0.071","","0.337","","0.094","","","8.863","","","1.664","","","","has coordinates","176467","2020-10-21","18:00:00","" "4320292","11.8196","0.0002","13.4161","0.0004","15.8619","0.0005","90","","90","","90","","2515.27","0.12","173","","173","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C24 H31 F6 N P2 Ru -","- C24 H31 F6 N P2 Ru -","- C96 H124 F24 N4 P8 Ru4 -","4","1","","Vincent Ritleng; Philippe Bertani; Michel Pfeffer; Claude Sirlin; Jérôme Hirschinger","Optically Active Ortho-Metalated Half-Sandwich Ruthenium Complexes: Solid-State NMR as a Convenient Tool To Analyze Mixtures of Diastereomers","Inorganic Chemistry","2001","40","","5117","5122","10.1021/ic010204w","","","0.71073","Mo-Kα","","0.04","0.032","","0.672","","0.05","","","14.81","","","1.03","","","","has coordinates","176432","2020-10-21","18:00:00","" "4320293","46.011","0.005","57.883","0.005","19.405","0.002","90","","90","","90","","51680","9","177","2","177","2","","","","","","","synthetic","6","F d d 2","F 2 -2d","43","","","","- C236 H236 Ga4 K4 N19 O36 -","- C222 H113 Ga4 K6 N15 O47 -","- C1776 H904 Ga32 K48 N120 O376 -","8","0.5","","Darren W. Johnson; Kenneth N. Raymond","The Self-Assembly of a [Ga4L6]12- Tetrahedral Cluster Thermodynamically Driven by Host-Guest Interactions","Inorganic Chemistry","2001","40","","5157","5161","10.1021/ic0102283","","","0.71073","MoKα","","0.1658","0.124","","","0.3199","0.3549","","","","","","1.386","","","","has coordinates","179305","2020-10-21","18:00:00","" "4320294","26.991","0.005","8.338","0.002","42.892","0.009","90","","92.05","0.03","90","","9647","4","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C22 H24 I N2 P Si -","- C22 H24 I N2 P Si -","- C352 H384 I16 N32 P16 Si16 -","16","2","","Rhett Kempe; Elmar Kessenich; Axel Schulz","[Me3SiN(PPh3).ICN]: A New Labile Donor-Acceptor Complex","Inorganic Chemistry","2001","40","","5182","5187","10.1021/ic0102687","","","0.71073","MoKα","","0.0528","0.0396","","0.1047","0.0982","","","","0.964","1.036","1.036","","","","","has coordinates","179305","2020-10-21","18:00:00","" "4320295","10.612","0.002","10.612","0.002","10.612","0.002","63.3","0.02","63.3","0.02","63.3","0.02","906.8","0.4","293","2","293","2","","","","","","","","5","R -3 :R","-P 3*","148","","","","- C30 H44 B2 N12 Sm -","- C30 H44 B2 N12 Sm -","- C30 H44 B2 N12 Sm -","1","0.166667","","Anna C. Hillier; XingWang Zhang; Graham H. Maunder; Sung Ying Liu; Todd A. Eberspacher; Mathew V. Metz; Robert McDonald; Ângela Domingos; Noémia Marques; Victor W. Day; Andrea Sella; Josef Takats","Synthesis and Structural Comparison of a Series of Divalent Ln(TpR,R')2 (Ln = Sm, Eu, Yb) and Trivalent Sm(TpMe2)2X (X = F, Cl, I, BPh4) Complexes","Inorganic Chemistry","2001","40","","5106","5116","10.1021/ic010325w","","","0.71073","MoKα","","0.0317","0.0295","","0.0635","0.0628","","","","1.044","1.059","1.059","","","","","has coordinates","179305","2020-10-21","18:00:00","" "4320296","10.51","0.003","10.51","0.003","10.51","0.003","63.52","0.02","63.52","0.02","63.52","0.02","884.8","0.5","293","2","293","2","","","","","","","","5","R -3 :R","-P 3*","148","","","","- C30 H44 B2 N12 Yb -","- C30 H44 B2 N12 Yb -","- C30 H44 B2 N12 Yb -","1","0.166667","","Anna C. Hillier; XingWang Zhang; Graham H. Maunder; Sung Ying Liu; Todd A. Eberspacher; Mathew V. Metz; Robert McDonald; Ângela Domingos; Noémia Marques; Victor W. Day; Andrea Sella; Josef Takats","Synthesis and Structural Comparison of a Series of Divalent Ln(TpR,R')2 (Ln = Sm, Eu, Yb) and Trivalent Sm(TpMe2)2X (X = F, Cl, I, BPh4) Complexes","Inorganic Chemistry","2001","40","","5106","5116","10.1021/ic010325w","","","0.71073","MoKα","","0.0369","0.036","","0.0797","0.079","","","","1.039","1.036","1.036","","","","","has coordinates","179305","2020-10-21","18:00:00","" "4320297","10.581","0.0015","10.581","0.0015","10.581","0.0015","63.5","0.02","63.5","0.02","63.5","0.02","902.5","0.3","293","2","293","2","","","","","","","","5","R -3 :R","-P 3*","148","","","","- C30 H44 B2 Eu N12 -","- C30 H44 B2 Eu N12 -","- C30 H44 B2 Eu N12 -","1","0.166667","","Anna C. Hillier; XingWang Zhang; Graham H. Maunder; Sung Ying Liu; Todd A. Eberspacher; Mathew V. Metz; Robert McDonald; Ângela Domingos; Noémia Marques; Victor W. Day; Andrea Sella; Josef Takats","Synthesis and Structural Comparison of a Series of Divalent Ln(TpR,R')2 (Ln = Sm, Eu, Yb) and Trivalent Sm(TpMe2)2X (X = F, Cl, I, BPh4) Complexes","Inorganic Chemistry","2001","40","","5106","5116","10.1021/ic010325w","","","0.71073","MoKα","","0.024","0.024","","0.0605","0.0604","","","","1.121","1.121","1.121","","","","","has coordinates","179305","2020-10-21","18:00:00","" "4320298","11.0885","0.0011","11.3617","0.001","12.049","0.0012","83.9506","0.0018","67.7404","0.0015","78.0655","0.0017","1373.9","0.2","193","2","193","2","","","","","","","","6","P -1","-P 1","2","","","","- C50 H84 B2 N12 O2 Sm -","- C50 H84 B2 N12 O2 Sm -","- C50 H84 B2 N12 O2 Sm -","1","0.5","","Anna C. Hillier; XingWang Zhang; Graham H. Maunder; Sung Ying Liu; Todd A. Eberspacher; Mathew V. Metz; Robert McDonald; Ângela Domingos; Noémia Marques; Victor W. Day; Andrea Sella; Josef Takats","Synthesis and Structural Comparison of a Series of Divalent Ln(TpR,R')2 (Ln = Sm, Eu, Yb) and Trivalent Sm(TpMe2)2X (X = F, Cl, I, BPh4) Complexes","Inorganic Chemistry","2001","40","","5106","5116","10.1021/ic010325w","","","0.71073","MoKα","","0.0519","0.0459","","","0.1021","0.1046","","","","","","1.01","","","","has coordinates","179305","2020-10-21","18:00:00","" "4320299","11.295","0.002","11.8129","0.0013","10.8513","0.0015","103.539","0.01","112.828","0.014","63.242","0.013","1188.4","0.3","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","","","- C54 H44 B2 N12 Sm -","- C54 H44 B2 N12 Sm -","- C54 H44 B2 N12 Sm -","1","0.5","","Anna C. Hillier; XingWang Zhang; Graham H. Maunder; Sung Ying Liu; Todd A. Eberspacher; Mathew V. Metz; Robert McDonald; Ângela Domingos; Noémia Marques; Victor W. Day; Andrea Sella; Josef Takats","Synthesis and Structural Comparison of a Series of Divalent Ln(TpR,R')2 (Ln = Sm, Eu, Yb) and Trivalent Sm(TpMe2)2X (X = F, Cl, I, BPh4) Complexes","Inorganic Chemistry","2001","40","","5106","5116","10.1021/ic010325w","","","0.71073","MoKα","","0.0375","0.0289","","","0.0657","0.0684","","","","","","1.068","","","","has coordinates","179305","2020-10-21","18:00:00","" "4320300","10.683","0.003","11.029","0.003","12.249","0.003","63.51","0.02","82.61","0.02","66.58","0.02","1183.2","0.6","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C54 H44 B2 N12 Yb -","- C54 H44 B2 N12 Yb -","- C54 H44 B2 N12 Yb -","1","0.5","","Anna C. Hillier; XingWang Zhang; Graham H. Maunder; Sung Ying Liu; Todd A. Eberspacher; Mathew V. Metz; Robert McDonald; Ângela Domingos; Noémia Marques; Victor W. Day; Andrea Sella; Josef Takats","Synthesis and Structural Comparison of a Series of Divalent Ln(TpR,R')2 (Ln = Sm, Eu, Yb) and Trivalent Sm(TpMe2)2X (X = F, Cl, I, BPh4) Complexes","Inorganic Chemistry","2001","40","","5106","5116","10.1021/ic010325w","","","0.71073","MoKα","","0.0249","0.0246","","0.0589","0.0587","","","","1.073","1.074","1.074","","","","","has coordinates","179306","2020-10-21","18:00:00","" "4320301","10.715","0.002","11.413","0.002","18.06","0.004","103.84","0.03","98.27","0.03","96.89","0.03","2094.6","0.8","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C34 H52 B2 F N12 O Sm -","- C35.35 H44 B2 F N12 Sm -","- C70.7 H88 B4 F2 N24 Sm2 -","2","1","","Anna C. Hillier; XingWang Zhang; Graham H. Maunder; Sung Ying Liu; Todd A. Eberspacher; Mathew V. Metz; Robert McDonald; Ângela Domingos; Noémia Marques; Victor W. Day; Andrea Sella; Josef Takats","Synthesis and Structural Comparison of a Series of Divalent Ln(TpR,R')2 (Ln = Sm, Eu, Yb) and Trivalent Sm(TpMe2)2X (X = F, Cl, I, BPh4) Complexes","Inorganic Chemistry","2001","40","","5106","5116","10.1021/ic010325w","","","0.71073","MoKα","","0.0943","0.0671","","0.1904","0.1641","","","","1.056","1.146","1.146","","","","","has coordinates","179306","2020-10-21","18:00:00","" "4320302","18.61","0.003","10.383","0.002","18.634","0.003","90","","90","","90","","3600.6","1.1","293","2","293","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C30 H44 B2 Cl N12 Sm -","- C30 H44 B2 Cl N12 Sm -","- C120 H176 B8 Cl4 N48 Sm4 -","4","1","","Anna C. Hillier; XingWang Zhang; Graham H. Maunder; Sung Ying Liu; Todd A. Eberspacher; Mathew V. Metz; Robert McDonald; Ângela Domingos; Noémia Marques; Victor W. Day; Andrea Sella; Josef Takats","Synthesis and Structural Comparison of a Series of Divalent Ln(TpR,R')2 (Ln = Sm, Eu, Yb) and Trivalent Sm(TpMe2)2X (X = F, Cl, I, BPh4) Complexes","Inorganic Chemistry","2001","40","","5106","5116","10.1021/ic010325w","","","0.71073","MoKα","","0.0814","0.0456","","0.0683","0.0607","","","","0.976","1.14","1.14","","","","","has coordinates","179306","2020-10-21","18:00:00","" "4320303","16.515","0.001","13.05","0.002","8.49","0.001","90","","91.77","0.01","90","","1828.9","0.4","293","2","293","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- C30 H44 B2 I N12 Sm -","- C30 H44 B2 I N12 Sm -","- C60 H88 B4 I2 N24 Sm2 -","2","0.25","","Anna C. Hillier; XingWang Zhang; Graham H. Maunder; Sung Ying Liu; Todd A. Eberspacher; Mathew V. Metz; Robert McDonald; Ângela Domingos; Noémia Marques; Victor W. Day; Andrea Sella; Josef Takats","Synthesis and Structural Comparison of a Series of Divalent Ln(TpR,R')2 (Ln = Sm, Eu, Yb) and Trivalent Sm(TpMe2)2X (X = F, Cl, I, BPh4) Complexes","Inorganic Chemistry","2001","40","","5106","5116","10.1021/ic010325w","","","0.71073","MoKα","","0.0507","0.0389","","0.1394","0.0983","","","","1.084","1.09","1.09","","","","","has coordinates","179306","2020-10-21","18:00:00","" "4320304","10.045","0.002","15.411","0.003","21.047","0.004","90.93","0.02","90.15","0.02","98.46","0.02","3222.2","1.1","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C64 H84 B3 N12 O2.5 Sm -","- C67.35 H64 B3 N12 Sm -","- C134.7 H128 B6 N24 Sm2 -","2","1","","Anna C. Hillier; XingWang Zhang; Graham H. Maunder; Sung Ying Liu; Todd A. Eberspacher; Mathew V. Metz; Robert McDonald; Ângela Domingos; Noémia Marques; Victor W. Day; Andrea Sella; Josef Takats","Synthesis and Structural Comparison of a Series of Divalent Ln(TpR,R')2 (Ln = Sm, Eu, Yb) and Trivalent Sm(TpMe2)2X (X = F, Cl, I, BPh4) Complexes","Inorganic Chemistry","2001","40","","5106","5116","10.1021/ic010325w","","","0.71073","MoKα","","0.11","0.065","","0.1319","0.1168","","","","0.969","1.102","1.102","","","","","has coordinates","176467","2020-10-21","18:00:00","" "4320305","13.851","0.002","13.851","0.002","6.312","0.0013","90","","90","","90","","1211","0.4","143","2","143","2","","","","","","","","5","P 42/n :2","-P 4bc","86","","Germanium tetrafluoride bis(diethylether) adduct","","- C8 H20 F4 Ge O2 -","- C8 H20 F4 Ge O2 -","- C32 H80 F16 Ge4 O8 -","4","0.5","","Norbert W. Mitzel; Udo Losehand; Krunoslav Vojinovic","A Crystalline Diethyl Ether Adduct of Tetrafluorogermane","Inorganic Chemistry","2001","40","","5302","5303","10.1021/ic010367k","","","0.71073","MoKα","","0.0826","0.0418","","","0.1039","0.1214","","","","","","0.969","","","","has coordinates","179306","2020-10-21","18:00:00","" "4320306","12.226","0.0011","17.875","0.0012","19.1095","0.0017","90","","90","","90","","4176.2","0.6","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","[Tri-(3-methoxysalicylaldehydato)-di-m3-hydroxo-tetraaquo-1kO,2kO,3k2O=20 -di-(h2-nitrato)-trigadolinium(3+)]dinitrato-tetrahydrate.","","","- C24 H39 Gd3 N4 O31 -","- C24 H39 Gd3 N4 O31 -","- C96 H156 Gd12 N16 O124 -","4","1","","Jean-Pierre Costes; Françoise Dahan; Franck Nicodème","A Trinuclear Gadolinium Complex: Structure and Magnetic Properties","Inorganic Chemistry","2001","40","","5285","5287","10.1021/ic0103704","","","0.71073","MoKα","","0.0407","0.0265","","","0.052","0.0552","","","","","","0.945","","","","has coordinates","179306","2020-10-21","18:00:00","" "4320307","17.301","0.008","17.301","0.008","9.686","0.007","90","","90","","120","","2511","2","294","2","294","2","","","","","","","","5","R 3 c :H","R 3 -2""c","161","","","","- C12 H24 Cr N3 O6 -","- C12 H24 Cr N3 O6 -","- C72 H144 Cr6 N18 O36 -","6","0.333333","","Henrietta A. Headlam; Colin L. Weeks; Peter Turner; Trevor W. Hambley; Peter A. Lay","Dinuclear Chromium(V) Amino Acid Complexes from the Reduction of Chromium(VI) in the Presence of Amino Acid Ligands: XAFS Characterization of a Chromium(V) Amino Acid Complex","Inorganic Chemistry","2001","40","","5097","5105","10.1021/ic010377l","","","1.54178","CuKα","","0.1537","0.0365","","","0.0722","0.0931","","","","","","0.927","","","","has coordinates","179306","2020-10-21","18:00:00","" "4320308","11.1903","0.0007","11.1903","0.0007","15.6","0.002","90","","90","","120","","1691.8","0.3","298","2","298","2","","","","","","","","5","P -3 1 c","-P 3 2c","163","","","","- Cl18 Cs2 Nb6 O6 Ti4 -","- Cl18 Cs1.969 Nb6 O6 Ti4 -","- Cl36 Cs3.938 Nb12 O12 Ti8 -","2","0.166667","","Ekaterina V. Anokhina; Cynthia S. Day; Abdessadek Lachgar","A New Quasi-One-Dimensional Niobium Oxychloride Cluster Compound Cs2Ti4Nb6Cl18O6: Structural Effects of Ligand Combination","Inorganic Chemistry","2001","40","","5072","5076","10.1021/ic010392q","","","0.71073","MoKα","","0.1027","0.0477","","0.0686","0.0556","","","","","1.042","1.042","0.976","","","","has coordinates","179306","2020-10-21","18:00:00","" "4320309","9.5602","0.001","9.5602","0.001","9.5602","0.001","90","","90","","90","","873.78","0.16","293","2","293","2","","","","","","","","3","P -4 3 n","P -4n 2 3","218","","Heptalithium tetranitridomanganate(V)","","- Li7 Mn N4 -","- Li7 Mn N4 -","- Li56 Mn8 N32 -","8","0.333333","","Niewa, R.; Hochrein, O.; Schnelle, W.; Wagner, F.R.; Kniep, R.","Li~24~[MnN~3~]~3~N~2~ and Li~5~[(Li~1-x~Mn~x~)N]~3~, Two Intermediates in the Decomposition Path of Li~7~[MnN~4~] to Li~2~[(Li~1-x~Mn~x~)N]: An Experimental and Theoretical Study","Inorganic Chemistry","2001","40","20","5215","5222","10.1021/ic010412o","","","0.71073","MoKα","","0.0298","0.0225","","","0.0543","0.0572","","","","","","1.316","","","","has coordinates","210305","2020-10-21","18:00:00","" "4320310","5.8258","0.0006","5.8258","0.0006","17.841","0.003","90","","90","","120","","524.4","0.12","293","2","293","2","","","","","","","","3","P -3 1 c","-P 3 2c","163","","","","- Li24 Mn3 N11 -","- Li16 Mn2 N7.238 -","- Li32 Mn4 N14.476 -","2","0.166667","","Niewa, R.; Hochrein, O.; Schnelle, W.; Wagner, F.R.; Kniep, R.","Li~24~[MnN~3~]~3~N~2~ and Li~5~[(Li~1-x~Mn~x~)N]~3~, Two Intermediates in the Decomposition Path of Li~7~[MnN~4~] to Li~2~[(Li~1-x~Mn~x~)N]: An Experimental and Theoretical Study","Inorganic Chemistry","2001","40","20","5215","5222","10.1021/ic010412o","","","0.71073","MoKα","","0.0217","0.0143","","","0.0324","0.0346","","","","","","1.25","","","","has coordinates","210305","2020-10-21","18:00:00","" "4320311","6.359","0.003","6.359","0.003","3.817","0.002","90","","90","","120","","133.67","0.11","293","2","293","2","","","","","","","","3","P -6 2 m","P -6 -2","189","","","","- Li6.23 Mn1.77 N3 -","- Li6.23 Mn1.779 N3 -","- Li6.23 Mn1.779 N3 -","1","0.0833333","","Niewa, R.; Hochrein, O.; Schnelle, W.; Wagner, F.R.; Kniep, R.","Li~24~[MnN~3~]~3~N~2~ and Li~5~[(Li~1-x~Mn~x~)N]~3~, Two Intermediates in the Decomposition Path of Li~7~[MnN~4~] to Li~2~[(Li~1-x~Mn~x~)N]: An Experimental and Theoretical Study","Inorganic Chemistry","2001","40","20","5215","5222","10.1021/ic010412o","","","0.71073","MoKα","","0.0487","0.0487","","","0.1008","0.1008","","","","","","1.31","","","","has coordinates","210305","2020-10-21","18:00:00","" "4320312","3.7125","0.0004","3.7125","0.0004","3.8212","0.0006","90","","90","","120","","45.61","0.01","293","2","293","2","","","","","","","","3","P 6/m m m","-P 6 2","191","","Lithium nitridomanganate(I)","","- Li2.33 Mn0.67 N -","- Li2.33 Mn0.671 N -","- Li2.33 Mn0.671 N -","1","0.0416667","","Niewa, R.; Hochrein, O.; Schnelle, W.; Wagner, F.R.; Kniep, R.","Li~24~[MnN~3~]~3~N~2~ and Li~5~[(Li~1-x~Mn~x~)N]~3~, Two Intermediates in the Decomposition Path of Li~7~[MnN~4~] to Li~2~[(Li~1-x~Mn~x~)N]: An Experimental and Theoretical Study","Inorganic Chemistry","2001","40","20","5215","5222","10.1021/ic010412o","","","0.71073","MoKα","","0.0206","0.0206","","","0.0566","0.0566","","","","","","1.406","","","","has coordinates","210305","2020-10-21","18:00:00","" "4320313","10.1237","0.0008","9.4959","0.0004","28.365","0.002","90","","98.707","0.009","90","","2695.4","0.3","183","2","183","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","[Re(CO)3(k3-PN2)]x2MeOH","Rhenium(I)-(k3PN2)tricarbonyl","","- C26 H28 N2 O6 P Re -","- C26 H28 N2 O6 P Re -","- C104 H112 N8 O24 P4 Re4 -","4","1","","João D. G. Correia; Ângela Domingos; Isabel Santos; Roger Alberto; Kirstin Ortner","Re Tricarbonyl Complexes with Ligands Containing P,N,N and P,N,O Donor Atom Sets: Synthesis and Structural Characterization","Inorganic Chemistry","2001","40","","5147","5151","10.1021/ic010417l","","","0.71073","MoKα","","0.038","0.0299","","","0.0741","0.076","","","","","","0.811","","","","has coordinates","179306","2020-10-21","18:00:00","" "4320314","10.0241","0.0009","11.206","0.001","13.0656","0.0012","84.883","0.011","71.163","0.01","63.65","0.009","1242.2","0.2","183","2","183","2","","","","","","","","7","P -1","-P 1","2","[Re(CO)3Br(k2-H2PNO)]","Rhenium(I)-(k2H2PNO)tricarbonylbromide","","- C24 H20 Br N O5 P Re -","- C24 H20 Br N O5 P Re -","- C48 H40 Br2 N2 O10 P2 Re2 -","2","1","","João D. G. Correia; Ângela Domingos; Isabel Santos; Roger Alberto; Kirstin Ortner","Re Tricarbonyl Complexes with Ligands Containing P,N,N and P,N,O Donor Atom Sets: Synthesis and Structural Characterization","Inorganic Chemistry","2001","40","","5147","5151","10.1021/ic010417l","","","0.71073","MoKα","","0.0424","0.0304","","","0.0689","0.0706","","","","","","0.877","","","","has coordinates","179306","2020-10-21","18:00:00","" "4320315","9.7213","0.0001","10.9246","0.0002","19.3747","0.0004","90","","90","","90","","2057.62","0.06","174.2","","","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C18 H33 N2 O2 Rh S2 -","- C18 H33 N2 O2 Rh S2 -","- C72 H132 N8 O8 Rh4 S8 -","4","1","","Andrew J. Souers; Timothy D. Owens; Allen G. Oliver; Frederick J. Hollander; Jonathan A. Ellman","Synthesis and Crystal Structure of a Unique and Homochiral N,S-Bonded N,N'-Bis(tert-butanesulfinyl)amidinate Rhodium(I) Complex","Inorganic Chemistry","2001","40","","5299","5301","10.1021/ic0104205","","","0.7107","MoKα","","","0.0195","","","","0.0212","","","","","","0.782","","","","has coordinates","176467","2020-10-21","18:00:00","" "4320316","4.1839","0.0006","13.8935","0.0019","10.6692","0.0015","90","","90","","90","","620.19","0.15","153","2","153","2","","","","","","","","4","C m c m","-C 2c 2","63","","","","- Ba Cu Gd Se3 -","- Ba Cu Gd Se3 -","- Ba4 Cu4 Gd4 Se12 -","4","0.25","","Fu Qiang Huang; Kwasi Mitchell; James A. Ibers","New Layered Materials: Syntheses, Structures, and Optical and Magnetic Properties of CsGdZnSe3, CsZrCuSe3, CsUCuSe3, and BaGdCuSe3","Inorganic Chemistry","2001","40","","5123","5126","10.1021/ic0104353","","","0.71073","MoKα","","0.0241","0.0218","","","0.0518","0.0526","","","","","","0.881","","","","has coordinates","179306","2020-10-21","18:00:00","" "4320317","4.1684","0.0007","15.765","0.003","11.0089","0.0018","90","","90","","90","","723.4","0.2","153","2","153","2","","","","","","","","4","C m c m","-C 2c 2","63","","","","- Cs Gd Se3 Zn -","- Cs Gd Se3 Zn -","- Cs4 Gd4 Se12 Zn4 -","4","0.25","","Fu Qiang Huang; Kwasi Mitchell; James A. Ibers","New Layered Materials: Syntheses, Structures, and Optical and Magnetic Properties of CsGdZnSe3, CsZrCuSe3, CsUCuSe3, and BaGdCuSe3","Inorganic Chemistry","2001","40","","5123","5126","10.1021/ic0104353","","","0.71073","MoKα","","0.022","0.0196","","","0.0474","0.0495","","","","","","0.952","","","","has coordinates","179306","2020-10-21","18:00:00","" "4320318","4.1443","0.0007","15.786","0.003","10.7188","0.0018","90","","90","","90","","701.2","0.2","153","2","153","2","","","","","","","","4","C m c m","-C 2c 2","63","","","","- Cs Cu Se3 U -","- Cs Cu Se3 U -","- Cs4 Cu4 Se12 U4 -","4","0.25","","Fu Qiang Huang; Kwasi Mitchell; James A. Ibers","New Layered Materials: Syntheses, Structures, and Optical and Magnetic Properties of CsGdZnSe3, CsZrCuSe3, CsUCuSe3, and BaGdCuSe3","Inorganic Chemistry","2001","40","","5123","5126","10.1021/ic0104353","","","0.71073","MoKα","","0.0289","0.0284","","","0.0713","0.0717","","","","","","1.313","","","","has coordinates","179306","2020-10-21","18:00:00","" "4320319","3.903","0.002","15.841","0.01","10.215","0.006","90","","90","","90","","631.6","0.6","153","2","153","2","","","","","","","","4","C m c m","-C 2c 2","63","","","","- Cs Cu Se3 Zr -","- Cs Cu Se3 Zr -","- Cs4 Cu4 Se12 Zr4 -","4","0.25","","Fu Qiang Huang; Kwasi Mitchell; James A. Ibers","New Layered Materials: Syntheses, Structures, and Optical and Magnetic Properties of CsGdZnSe3, CsZrCuSe3, CsUCuSe3, and BaGdCuSe3","Inorganic Chemistry","2001","40","","5123","5126","10.1021/ic0104353","","","0.71073","MoKα","","0.0289","0.0284","","","0.0657","0.066","","","","","","1.304","","","","has coordinates","179306","2020-10-21","18:00:00","" "4320320","10.3895","0.001","10.3895","0.001","4.9634","0.0004","90","","90","","90","","535.76","0.08","295","2","295","2","","","","","","","","4","I 4/m c m","-I 4 2c","140","niobium palladium silicon antimonide","niobium palladium silicon antimonide","","- Nb4 Pd0.5 Sb2 Si -","- Nb4 Pd0.5 Sb2 Si -","- Nb16 Pd2 Sb8 Si4 -","4","0.125","","Meitian Wang; William C. Sheets; Robert McDonald; Arthur Mar","Nb4Pd0.5ZSb2 (Z = Cr, Fe, Co, Ni, Si): The First Ordered Quaternary Variants of the W5Si3- Type Structure","Inorganic Chemistry","2001","40","","5199","5205","10.1021/ic010441z","","","0.71073","MoKα","","0.0583","0.0395","","","0.086","0.0913","","","","","","0.971","","","","has coordinates","176467","2020-10-21","18:00:00","" "4320321","10.4407","0.0003","10.4407","0.0003","5.002","0.0002","90","","90","","90","","545.26","0.03","295","2","295","2","","","","","","","","5","I 4/m c m","-I 4 2c","140","niobium palladium chromium silicon antimonide","niobium palladium chromium silicon antimonide","","- Cr0.28 Nb4 Pd0.5 Sb2 Si0.72 -","- Cr0.28 Nb4 Pd0.5 Sb2 Si0.72 -","- Cr1.12 Nb16 Pd2 Sb8 Si2.88 -","4","0.125","","Meitian Wang; William C. Sheets; Robert McDonald; Arthur Mar","Nb4Pd0.5ZSb2 (Z = Cr, Fe, Co, Ni, Si): The First Ordered Quaternary Variants of the W5Si3- Type Structure","Inorganic Chemistry","2001","40","","5199","5205","10.1021/ic010441z","","","0.71073","MoKα","","0.0315","0.0312","","","0.0748","0.075","","","","","","1.275","","","","has coordinates","176467","2020-10-21","18:00:00","" "4320322","10.4825","0.0006","10.4825","0.0006","4.9543","0.0003","90","","90","","90","","544.39","0.06","295","2","295","2","","","","","","","","4","I 4/m c m","-I 4 2c","140","niobium palladium iron antimonide","niobium palladium iron antimonide","","- Fe Nb4 Pd0.5 Sb2 -","- Fe Nb4 Pd0.5 Sb2 -","- Fe4 Nb16 Pd2 Sb8 -","4","0.125","","Meitian Wang; William C. Sheets; Robert McDonald; Arthur Mar","Nb4Pd0.5ZSb2 (Z = Cr, Fe, Co, Ni, Si): The First Ordered Quaternary Variants of the W5Si3- Type Structure","Inorganic Chemistry","2001","40","","5199","5205","10.1021/ic010441z","","","0.71073","MoKα","","0.038","0.0349","","","0.0851","0.0863","","","","","","1.157","","","","has coordinates","176467","2020-10-21","18:00:00","" "4320323","10.4603","0.0005","10.4603","0.0005","4.9457","0.0003","90","","90","","90","","541.15","0.05","295","2","295","2","","","","","","","","4","I 4/m c m","-I 4 2c","140","niobium palladium cobalt antimonide","niobium palladium cobalt antimonide","","- Co Nb4 Pd0.5 Sb2 -","- Co Nb4 Pd0.5 Sb2 -","- Co4 Nb16 Pd2 Sb8 -","4","0.125","","Meitian Wang; William C. Sheets; Robert McDonald; Arthur Mar","Nb4Pd0.5ZSb2 (Z = Cr, Fe, Co, Ni, Si): The First Ordered Quaternary Variants of the W5Si3- Type Structure","Inorganic Chemistry","2001","40","","5199","5205","10.1021/ic010441z","","","0.71073","MoKα","","0.0342","0.0303","","","0.0749","0.0771","","","","","","1.18","","","","has coordinates","176467","2020-10-21","18:00:00","" "4320324","10.4332","0.0007","10.4332","0.0007","4.9649","0.0003","90","","90","","90","","540.44","0.06","295","2","295","2","","","","","","","","4","I 4/m c m","-I 4 2c","140","niobium palladium nickel antimonide","niobium palladium nickel antimonide","","- Nb4 Ni0.776 Pd0.5 Sb2 -","- Nb4 Ni0.776 Pd0.5 Sb2 -","- Nb16 Ni3.104 Pd2 Sb8 -","4","0.125","","Meitian Wang; William C. Sheets; Robert McDonald; Arthur Mar","Nb4Pd0.5ZSb2 (Z = Cr, Fe, Co, Ni, Si): The First Ordered Quaternary Variants of the W5Si3- Type Structure","Inorganic Chemistry","2001","40","","5199","5205","10.1021/ic010441z","","","0.71073","MoKα","","0.0538","0.0342","","","0.0703","0.0747","","","","","","0.94","","","","has coordinates","176467","2020-10-21","18:00:00","" "4320325","11.592","0.002","5.2114","0.0005","10.383","0.003","90","","113.421","0.016","90","","575.6","0.2","293","2","293","2","","","","","","","","2","C 1 2/m 1","-C 2y","12","K5As4","","","- As4 K5 -","- As4 K5 -","- As8 K10 -","2","0.25","","Franck Gascoin; Slavi C. Sevov","Synthesis and Characterization of the ""Metallic Salts"" A5Pn4 (A = K, Rb, Cs and Pn = As, Sb, Bi) with Isolated Zigzag Tetramers of Pn44- and an Extra Delocalized Electron","Inorganic Chemistry","2001","40","","5177","5181","10.1021/ic0104499","","","0.71073","MoKα","","0.0514","0.0322","","","0.0728","0.0812","","","","","","1.005","","","","has coordinates","179306","2020-10-21","18:00:00","" "4320326","12.3186","0.001","5.4866","0.0004","11.2583","0.001","90","","112.27","0.07","90","","704.2","0.4","293","2","293","2","","","","","","","","2","C 1 2/m 1","-C 2y","12","K5Sb4","","","- K5 Sb4 -","- K5 Sb4 -","- K10 Sb8 -","2","0.25","","Franck Gascoin; Slavi C. Sevov","Synthesis and Characterization of the ""Metallic Salts"" A5Pn4 (A = K, Rb, Cs and Pn = As, Sb, Bi) with Isolated Zigzag Tetramers of Pn44- and an Extra Delocalized Electron","Inorganic Chemistry","2001","40","","5177","5181","10.1021/ic0104499","","","0.71073","MoKα","","0.0687","0.0453","","","0.1105","0.1223","","","","","","1.08","","","","has coordinates","179306","2020-10-21","18:00:00","" "4320327","12.7803","0.0009","5.7518","0.0004","11.631","0.0008","90","","113.701","0.001","90","","782.88","0.09","250","2","250","2","","","","","","","","2","C 1 2/m 1","-C 2y","12","Rb5Sb4","","","- Rb5 Sb4 -","- Rb5 Sb4 -","- Rb10 Sb8 -","2","0.25","","Franck Gascoin; Slavi C. Sevov","Synthesis and Characterization of the ""Metallic Salts"" A5Pn4 (A = K, Rb, Cs and Pn = As, Sb, Bi) with Isolated Zigzag Tetramers of Pn44- and an Extra Delocalized Electron","Inorganic Chemistry","2001","40","","5177","5181","10.1021/ic0104499","","","0.71073","MoKα","","0.0407","0.0341","","","0.0859","0.0901","","","","","","1.064","","","","has coordinates","179306","2020-10-21","18:00:00","" "4320328","12.517","0.002","5.5412","0.001","11.625","0.002","90","","111.458","0.017","90","","750.4","0.2","293","2","293","2","","","","","","","","2","C 1 2/m 1","-C 2y","12","K5Bi4","","","- Bi4 K5 -","- Bi4 K5 -","- Bi8 K10 -","2","0.25","","Franck Gascoin; Slavi C. Sevov","Synthesis and Characterization of the ""Metallic Salts"" A5Pn4 (A = K, Rb, Cs and Pn = As, Sb, Bi) with Isolated Zigzag Tetramers of Pn44- and an Extra Delocalized Electron","Inorganic Chemistry","2001","40","","5177","5181","10.1021/ic0104499","","","0.71073","MoKα","","0.0953","0.0786","","","0.1962","0.2115","","","","","","1.032","","","","has coordinates","179306","2020-10-21","18:00:00","" "4320329","12.945","0.004","5.7851","0.0009","12.018","0.005","90","","112.78","0.03","90","","829.8","0.5","293","2","293","2","","","","","","","","2","C 1 2/m 1","-C 2y","12","Rb5Bi4","","","- Bi4 Rb5 -","- Bi4 Rb5 -","- Bi8 Rb10 -","2","0.25","","Franck Gascoin; Slavi C. Sevov","Synthesis and Characterization of the ""Metallic Salts"" A5Pn4 (A = K, Rb, Cs and Pn = As, Sb, Bi) with Isolated Zigzag Tetramers of Pn44- and an Extra Delocalized Electron","Inorganic Chemistry","2001","40","","5177","5181","10.1021/ic0104499","","","0.71073","MoKα","","0.0666","0.051","","","0.1395","0.1491","","","","","","1.007","","","","has coordinates","179306","2020-10-21","18:00:00","" "4320330","12.8867","0.001","6.3232","0.001","12.6363","0.0014","90","","122.942","0.01","90","","864.1","0.2","293","2","293","2","","","","","","","","2","C 1 2/m 1","-C 2y","12","Cs5Bi4","","","- Bi4 Cs5 -","- Bi4 Cs5 -","- Bi8 Cs10 -","2","0.25","","Franck Gascoin; Slavi C. Sevov","Synthesis and Characterization of the ""Metallic Salts"" A5Pn4 (A = K, Rb, Cs and Pn = As, Sb, Bi) with Isolated Zigzag Tetramers of Pn44- and an Extra Delocalized Electron","Inorganic Chemistry","2001","40","","5177","5181","10.1021/ic0104499","","","0.71073","MoKα","","0.1557","0.0896","","","0.2194","0.2553","","","","","","0.997","","","","has coordinates","179306","2020-10-21","18:00:00","" "4320331","10.28","0.0004","19.7144","0.0011","34.7368","0.0019","90","","93.858","0.003","90","","7023.9","0.6","150","2","150","2","","","","","","","?","6","C 1 2/c 1","-C 2yc","15","","","","- C23.5 H13 Cl Cr0.5 O6.5 S16 -","- C23.5 H13 Cl Cr0.5 O6.5 S16 -","- C188 H104 Cl8 Cr4 O52 S128 -","8","1","","Samina Rashid; Scott S. Turner; Delphine Le Pevelen; Peter Day; Mark E. Light; Michael B. Hursthouse; Steven Firth; Robin J. H. Clark","β''-(BEDT-TTF)4[(H3O)Cr(C2O4)3]CH2Cl2: Effect of Included Solvent on the Structure and Properties of a Conducting Molecular Charge-Transfer Salt","Inorganic Chemistry","2001","40","","5304","5306","10.1021/ic010484f","","","0.71073","MoKα","","0.1498","0.0506","","","0.105","0.1316","","","","","","1.0859","","","","has coordinates","176467","2020-10-21","18:00:00","" "4320332","23.933","0.002","9.858","0.001","20.785","0.002","90","","105.913","0.002","90","","4715.9","0.8","173","2","173","2","","","","","","","","7","C 1 c 1","C -2yc","9","00139","","","- C48 H52 Cl2 Ir N O3 Sn2 -","- C48 H52 Cl2 Ir N O3 Sn2 -","- C192 H208 Cl8 Ir4 N4 O12 Sn8 -","4","1","","Jessica M. Allen; William W. Brennessel; Carrie E. Buss; John E. Ellis; Mikhail E. Minyaev; Maren Pink; Garry F. Warnock; Mark L. Winzenburg; Victor G. Young","Synthesis, Isolation, and Characterization of Trisodium Tricarbonyliridate (3-), Na3[Ir(CO)3]. Initial Studies on Its Derivative Chemistry and Structural Characterizations of trans-[Ir(CO)3(EPh3)2]-, E = Ge, Sn, and trans-[Co(CO)3(SnPh3)2]-,1","Inorganic Chemistry","2001","40","","5279","5284","10.1021/ic0105011","","","0.71073","MoKα","","0.032","0.0278","","","0.058","0.0591","","","","","","1.057","","","","has coordinates","179306","2020-10-21","18:00:00","" "4320333","23.722","0.003","9.7797","0.0011","20.679","0.002","90","","106.946","0.002","90","","4589.1","0.9","173","2","173","2","","","","","","","","7","C 1 c 1","C -2yc","9","00172","","","- C48 H52 Cl2 Ge2 Ir N O3 -","- C48 H52 Cl2 Ge2 Ir N O3 -","- C192 H208 Cl8 Ge8 Ir4 N4 O12 -","4","1","","Jessica M. Allen; William W. Brennessel; Carrie E. Buss; John E. Ellis; Mikhail E. Minyaev; Maren Pink; Garry F. Warnock; Mark L. Winzenburg; Victor G. Young","Synthesis, Isolation, and Characterization of Trisodium Tricarbonyliridate (3-), Na3[Ir(CO)3]. Initial Studies on Its Derivative Chemistry and Structural Characterizations of trans-[Ir(CO)3(EPh3)2]-, E = Ge, Sn, and trans-[Co(CO)3(SnPh3)2]-,1","Inorganic Chemistry","2001","40","","5279","5284","10.1021/ic0105011","","","0.71073","MoKα","","0.0413","0.0351","","","0.0733","0.0759","","","","","","1.024","","","","has coordinates","179306","2020-10-21","18:00:00","" "4320334","23.804","0.001","9.838","0.0005","20.788","0.001","90","","106.819","0.001","90","","4660","0.4","173","2","173","2","","","","","","","","7","C 1 c 1","C -2yc","9","00125","","","- C48 H52 Cl2 Co N O3 Sn2 -","- C48 H52 Cl2 Co N O3 Sn2 -","- C192 H208 Cl8 Co4 N4 O12 Sn8 -","4","1","","Jessica M. Allen; William W. Brennessel; Carrie E. Buss; John E. Ellis; Mikhail E. Minyaev; Maren Pink; Garry F. Warnock; Mark L. Winzenburg; Victor G. Young","Synthesis, Isolation, and Characterization of Trisodium Tricarbonyliridate (3-), Na3[Ir(CO)3]. Initial Studies on Its Derivative Chemistry and Structural Characterizations of trans-[Ir(CO)3(EPh3)2]-, E = Ge, Sn, and trans-[Co(CO)3(SnPh3)2]-,1","Inorganic Chemistry","2001","40","","5279","5284","10.1021/ic0105011","","","0.71073","MoKα","","0.0501","0.033","","","0.0501","0.0538","","","","","","0.922","","","","has coordinates","179306","2020-10-21","18:00:00","" "4320335","21.466","0.007","20.877","0.007","19.294","0.006","90","","114.897","0.004","90","","7843","4","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C45 H31 Br Cl2 Fe N4 -","- C45 H31 Br Cl2 Fe N4 -","- C360 H248 Br8 Cl16 Fe8 N32 -","8","1","","Wan-Chin Chen; Chen-Hsiung Hung","Synthesis and Characterization of Iron N-Confused Porphyrins: Structural Evidences of Agostic Interaction","Inorganic Chemistry","2001","40","","5070","5071","10.1021/ic0155333","","","0.71073","MoKα","","0.1452","0.0744","","","0.1888","0.2271","","","","","","0.843","","","","has coordinates,has disorder","179306","2020-10-21","18:00:00","" "4320336","13.4489","0.0015","13.6169","0.0015","14.3453","0.0015","72.921","0.002","83.036","0.002","77.615","0.002","2448","0.5","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C59 H52 Fe N4 O2 S -","- C59 H52 Fe N4 O2 S -","- C118 H104 Fe2 N8 O4 S2 -","2","1","","Wan-Chin Chen; Chen-Hsiung Hung","Synthesis and Characterization of Iron N-Confused Porphyrins: Structural Evidences of Agostic Interaction","Inorganic Chemistry","2001","40","","5070","5071","10.1021/ic0155333","","","0.71073","MoKα","","0.1205","0.0464","","","0.1003","0.1138","","","","","","0.716","","","","has coordinates","179306","2020-10-21","18:00:00","" "4320337","8.7983","0.001","9.4952","0.001","12.5588","0.0013","109.609","0.007","103.008","0.008","99.475","0.008","929.42","0.19","198","2","198","2","","","","","","","","6","P -1","-P 1","2","","","","- C40 H38 Cu N2 O4 P2 -","- C40 H38 Cu N2 O4 P2 -","- C40 H38 Cu N2 O4 P2 -","1","0.5","","Jeremy C. Stephens; Masood A. Khan; Robert P. Houser","Copper(II) Acetate Complexes, [CuLm(OAc)2]n (L = HNPPh3), Stable in the Solid State Either as a Dimer (m = 1, n = 2) or a Monomer (m = 2, n = 1)","Inorganic Chemistry","2001","40","","5064","5065","10.1021/ic0155636","","","0.71073","MoKα","","0.0384","0.035","","","0.093","0.0957","","","","","","1.049","","","","has coordinates","179306","2020-10-21","18:00:00","" "4320338","8.866","0.009","9.685","0.01","13.041","0.013","90.06","0.09","104.59","0.11","104.45","0.1","1047","2","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C44 H44 Cu2 N2 O8 P2 -","- C44 H44 Cu2 N2 O8 P2 -","- C44 H44 Cu2 N2 O8 P2 -","1","0.5","","Jeremy C. Stephens; Masood A. Khan; Robert P. Houser","Copper(II) Acetate Complexes, [CuLm(OAc)2]n (L = HNPPh3), Stable in the Solid State Either as a Dimer (m = 1, n = 2) or a Monomer (m = 2, n = 1)","Inorganic Chemistry","2001","40","","5064","5065","10.1021/ic0155636","","","0.71073","MoKα","","0.0536","0.0504","","","0.1379","0.1416","","","","","","1.03","","","","has coordinates","179306","2020-10-21","18:00:00","" "4320339","11.8267","0.0009","13.0023","0.0014","12.0219","0.001","90","","114.373","0.009","90","","1683.9","0.3","200","3","200","3","","","","","","","provided by O. Ruscetti","3","P 1 21 1","P 2yb","4","Te-F","","","- C14 F16 Te -","- C14 F16 Te -","- C56 F64 Te4 -","4","2","","Thomas M. Klapötke; Burkhard Krumm; Peter Mayer; Kurt Polborn; Oliver P. Ruscitti","Spectroscopic and Structural Studies on Polyfluorophenyl Tellurides and Tellurium(IV) Dihalides","Inorganic Chemistry","2001","40","","5169","5176","10.1021/ic010149r","","","0.71073","MoKα","","0.0299","0.0284","","","0.073","0.0737","","","","","","1.015","","","","has coordinates","201982","2020-10-21","18:00:00","" "4320340","8.9976","0.0014","15.522","0.002","19.031","0.002","105.797","0.01","100.621","0.011","93.939","0.012","2493.8","0.6","295","1","295","1","","","","","","","","5","P -1","-P 1","2","","Phthalocyaninato bis(undecylcarboxylato)Silicon(IV)","","- C56 H62 N8 O4 Si -","- C56 H62 N8 O4 Si -","- C112 H124 N16 O8 Si2 -","2","1","","Jack Silver; Christopher S. Frampton; George R. Fern; Dominic A. Davies; John R. Miller; Jose L. Sosa-Sanchez","Novel Seven Coordination Geometry of Sn(IV): Crystal Structures of Phthalocyaninato Bis(undecylcarboxylato)Sn(IV), Its Si(IV) Analogue, and Phthalocyaninato Bis(chloro)silicon(IV). The Electrochemistry of the Si(IV) Analogue and Related Compounds","Inorganic Chemistry","2001","40","","5434","5439","10.1021/ic001120a","","","0.7107","MoKα","","0.1174","0.0494","","","0.1334","0.1508","","","","","","1.009","","","","has coordinates","179306","2020-10-21","18:00:00","" "4320341","8.997","0.002","14.582","0.004","10.129","0.004","90","","97.74","0.03","90","","1316.8","0.7","123","1","123","1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Phthalocyaninato bis(chloro)silicon(IV)","","- C32 H16 Cl2 N8 Si -","- C32 H16 Cl2 N8 Si -","- C64 H32 Cl4 N16 Si2 -","2","0.5","","Jack Silver; Christopher S. Frampton; George R. Fern; Dominic A. Davies; John R. Miller; Jose L. Sosa-Sanchez","Novel Seven Coordination Geometry of Sn(IV): Crystal Structures of Phthalocyaninato Bis(undecylcarboxylato)Sn(IV), Its Si(IV) Analogue, and Phthalocyaninato Bis(chloro)silicon(IV). The Electrochemistry of the Si(IV) Analogue and Related Compounds","Inorganic Chemistry","2001","40","","5434","5439","10.1021/ic001120a","","","0.71073","MoKα","","0.05","0.0395","","","0.0892","0.0943","","","","","","1.008","","","","has coordinates","179306","2020-10-21","18:00:00","" "4320342","13.206","0.005","15.539","0.004","12.762","0.004","98.15","0.03","103.26","0.03","100.93","0.03","2455.3","1.5","123","1","123","1","","","","","","","","5","P -1","-P 1","2","","Phthalocyaninato bis(undecylcarboxylato)Tin(IV)","","- C56 H62 N8 O4 Sn -","- C56 H62 N8 O4 Sn -","- C112 H124 N16 O8 Sn2 -","2","1","","Jack Silver; Christopher S. Frampton; George R. Fern; Dominic A. Davies; John R. Miller; Jose L. Sosa-Sanchez","Novel Seven Coordination Geometry of Sn(IV): Crystal Structures of Phthalocyaninato Bis(undecylcarboxylato)Sn(IV), Its Si(IV) Analogue, and Phthalocyaninato Bis(chloro)silicon(IV). The Electrochemistry of the Si(IV) Analogue and Related Compounds","Inorganic Chemistry","2001","40","","5434","5439","10.1021/ic001120a","","","0.71073","MoKα","","0.0479","0.0353","","","0.0913","0.0966","","","","","","1.015","","","","has coordinates,has disorder","179306","2020-10-21","18:00:00","" "4320343","12.7811","0.0009","12.4547","0.0008","19.5582","0.0016","90","","103.706","0.005","90","","3024.7","0.4","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C56 H74 F20 N2 Pt2 S2 -","- C56 H74 F20 N2 Pt2 S2 -","- C112 H148 F40 N4 Pt4 S4 -","2","0.5","","José Ruiz; Venancio Rodríguez; Consuelo Vicente; José M. Martí; Gregorio López; José Pérez","Synthesis and Reactivity of Bridging and Terminal Hydrosulfido Palladium and Platinum Complexes. Crystal Structures of [NBu4]2[{Pt(C6F5)2(μ-SH)}2], [Pt(C6F5)2(PPh3){S(H)AgPPh3}], and [Pt(C6F5)2(PPh3){S(AuPPh3)2}]","Inorganic Chemistry","2001","40","","5354","5360","10.1021/ic0013633","","","0.71073","MoKα","","0.043","0.0343","","","0.088","0.0927","","","","","","0.995","","","","has coordinates,has disorder","179306","2020-10-21","18:00:00","" "4320344","13.9502","0.0002","14.1938","0.0002","15.1239","0.0002","83.44","","74.886","0.001","70.333","0.001","2721.23","0.07","293","2","298","2","","","","","","","","7","P -1","-P 1","2","","","","- C48 H31 Ag F10 P2 Pt S -","- C48 H31 Ag F10 P2 Pt S -","- C96 H62 Ag2 F20 P4 Pt2 S2 -","2","1","","José Ruiz; Venancio Rodríguez; Consuelo Vicente; José M. Martí; Gregorio López; José Pérez","Synthesis and Reactivity of Bridging and Terminal Hydrosulfido Palladium and Platinum Complexes. Crystal Structures of [NBu4]2[{Pt(C6F5)2(μ-SH)}2], [Pt(C6F5)2(PPh3){S(H)AgPPh3}], and [Pt(C6F5)2(PPh3){S(AuPPh3)2}]","Inorganic Chemistry","2001","40","","5354","5360","10.1021/ic0013633","","","0.71073","MoKα","","0.0594","0.0412","","","0.1106","0.1248","","","","","","0.759","","","","has coordinates","179306","2020-10-21","18:00:00","" "4320345","62.6035","0.0009","13.0329","0.0002","32.0828","0.0005","90","","104.703","0.001","90","","25319.4","0.7","293","2","298","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C66.25 H45.5 Au2 Cl0.5 F10 P3 Pt S -","- C66.25 H45.5 Au2 Cl0.5 F10 P3 Pt S -","- C1060 H728 Au32 Cl8 F160 P48 Pt16 S16 -","16","2","","José Ruiz; Venancio Rodríguez; Consuelo Vicente; José M. Martí; Gregorio López; José Pérez","Synthesis and Reactivity of Bridging and Terminal Hydrosulfido Palladium and Platinum Complexes. Crystal Structures of [NBu4]2[{Pt(C6F5)2(μ-SH)}2], [Pt(C6F5)2(PPh3){S(H)AgPPh3}], and [Pt(C6F5)2(PPh3){S(AuPPh3)2}]","Inorganic Chemistry","2001","40","","5354","5360","10.1021/ic0013633","","","0.71073","MoKα","","0.1079","0.0619","","","0.1374","0.1594","","","","","","1.081","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00","" "4320346","8.3944","0.001","21.992","0.003","10.8466","0.0012","90","","96.188","0.002","90","","1990.7","0.4","295","2","295","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C6 H20 As3 F5 Fe3 N3 O12 -","- C6 H20 As3 F5 Fe3 N3 O12 -","- C24 H80 As12 F20 Fe12 N12 O48 -","4","1","","Shi-Hao Luo; Yau-Chen Jiang; Sue-Lein Wang; Hsien-Ming Kao; Kwang-Hwa Lii","Synthesis and Characterization of Fluorinated Metal Arsenates with a Layer Structure: (C4H12N2)1.5[M3F5(HAsO4)2(AsO4)] (M = Fe, Ga)","Inorganic Chemistry","2001","40","","5381","5384","10.1021/ic010150q","","","0.71073","MoKα","","0.0359","0.029","","","0.0699","0.0723","","","","","","1.049","","","","has coordinates","179306","2020-10-21","18:00:00","" "4320347","8.3982","0.0011","21.73","0.003","10.679","0.0013","90","","95.318","0.002","90","","1940.5","0.4","294","2","294","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C6 H20 As3 F5 Ga3 N3 O12 -","- C6 H20 As3 F5 Ga3 N3 O12 -","- C24 H80 As12 F20 Ga12 N12 O48 -","4","1","","Shi-Hao Luo; Yau-Chen Jiang; Sue-Lein Wang; Hsien-Ming Kao; Kwang-Hwa Lii","Synthesis and Characterization of Fluorinated Metal Arsenates with a Layer Structure: (C4H12N2)1.5[M3F5(HAsO4)2(AsO4)] (M = Fe, Ga)","Inorganic Chemistry","2001","40","","5381","5384","10.1021/ic010150q","","","0.71073","MoKα","","0.0393","0.0303","","","0.0765","0.0791","","","","","","1.084","","","","has coordinates","179306","2020-10-21","18:00:00","" "4320348","12.823","0.003","13.125","0.003","14.688","0.003","86.34","0.03","84.17","0.03","68.22","0.03","2282.8","1","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C46 H58 B6 O3 P2 Ru -","- C46 H58 B6 O3 P2 Ru -","- C92 H116 B12 O6 P4 Ru2 -","2","1","","Irina V. Pisareva; Fedor M. Dolgushin; Alexandr I. Yanovsky; Elena V. Balagurova; Pavel V. Petrovskii; Igor T. Chizhevsky","The First 8-Vertex Monocarbon Metallacarborane with an ""Isolated"" Boron-Capped Pentagonal Bipyramidal Cage. Synthesis and Molecular Structure of Capped closo-2,2-(Ph3P)2-2-H-3,6,8-(MeO)3-RuCB6H4","Inorganic Chemistry","2001","40","","5318","5319","10.1021/ic010216h","","","0.71073","MoKα","","0.1239","0.0597","","","0.0925","0.1047","","","","","","1.071","","","","has coordinates","179306","2020-10-21","18:00:00","" "4320349","11.1847","0.0006","11.1847","0.0006","11.1847","0.0006","90","","90","","90","","1399.18","0.13","293","2","293","2","","","","","","","","3","I -4 3 m","I -4 2 3","217","CaNa10Sn12","","","- Ca Na10 Sn12 -","- Ca Na10 Sn12 -","- Ca2 Na20 Sn24 -","2","0.0416667","","Svilen Bobev; Slavi C. Sevov","Synthesis and Characterization of the Largest Isolated Clusters of Tin, [Sn12]12-, in (AE)Na10Sn12 (AE = Ca or Sr)","Inorganic Chemistry","2001","40","","5361","5364","10.1021/ic0103953","","","0.71073","MoKα","","0.0136","0.0131","","","0.0293","0.0295","","","","","","1.247","","","","has coordinates","179306","2020-10-21","18:00:00","" "4320350","11.2176","0.0004","11.2176","0.0004","11.2176","0.0004","90","","90","","90","","1411.56","0.09","293","2","293","2","","","","","","","","3","I -4 3 m","I -4 2 3","217","SrNa10Sn12","","","- Na10 Sn12 Sr -","- Na10 Sn12 Sr -","- Na20 Sn24 Sr2 -","2","0.0416667","","Svilen Bobev; Slavi C. Sevov","Synthesis and Characterization of the Largest Isolated Clusters of Tin, [Sn12]12-, in (AE)Na10Sn12 (AE = Ca or Sr)","Inorganic Chemistry","2001","40","","5361","5364","10.1021/ic0103953","","","0.71073","MoKα","","0.0259","0.0219","","","0.044","0.0453","","","","","","1.115","","","","has coordinates","179306","2020-10-21","18:00:00","" "4320351","16.105","0.002","16.105","0.002","20.25","0.004","90","0.001","90","0.001","90","0.001","5252.3","1.4","293","2","293","2","","","","","","","","5","P -4 21 c","P -4 2n","114","","","","- C128 H84 Cd6 O4 Pt4 -","- C128 H84 Cd6 O4 Pt4 -","- C256 H168 Cd12 O8 Pt8 -","2","0.25","","Juan Forniés; Julio Gómez; Elena Lalinde; M. Teresa Moreno","Luminescent Alkynyl Platinum-Cadmium Complexes: Structural Characterization of an Unusual Decanuclear Cluster [Pt4Cd6(C\τbCPh)4(μ-C\τbCPh)12(μ3-OH)4]","Inorganic Chemistry","2001","40","","5415","5419","10.1021/ic010433i","","","0.71073","MoKα","","0.0797","0.0696","","","0.1867","0.2038","","","","","","1.212","","","","has coordinates","179306","2020-10-21","18:00:00","" "4320352","12.5552","0.0012","38.397","0.004","19.4653","0.0019","90","","93.135","0.002","90","","9369.8","1.6","153","2","153","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C26 H88.5 N8 O2.25 Re8 S40 Se8 -","- C26 H84 N8 O2.25 Re8 S40 Se8 -","- C104 H336 N32 O9 Re32 S160 Se32 -","4","1","","Yuri V. Mironov; Michael A. Pell; Thomas E. Albrecht-Schmitt; James A. Ibers","The Mixed Polychalcogenorhenate(IV) Anions [Re4Q4(S3)4(S4)2]4- (Q = Se, Te): Syntheses and Crystal Structures of [NMe4]5[Me2NH2]3[Re4Se4(S3)4(S4)2]2.2.25H2O and [NH4]4[Re4Te4(S3)4(S4)2].8H2O","Inorganic Chemistry","2001","40","","5472","5474","10.1021/ic010434a","","","0.71073","MoKα","","0.1414","0.056","","","0.0976","0.1228","","","","","","1.102","","","","has coordinates","179306","2020-10-21","18:00:00","" "4320353","12.6463","0.0007","16.2348","0.0009","19.8038","0.0011","90","","90","","90","","4065.9","0.4","153","2","153","2","","","","","","","","6","C m c m","-C 2c 2","63","","","","- H32 N4 O8 Re4 S20 Te4 -","- N4 O8 Re4 S20 Te4 -","- N16 O32 Re16 S80 Te16 -","4","0.25","","Yuri V. Mironov; Michael A. Pell; Thomas E. Albrecht-Schmitt; James A. Ibers","The Mixed Polychalcogenorhenate(IV) Anions [Re4Q4(S3)4(S4)2]4- (Q = Se, Te): Syntheses and Crystal Structures of [NMe4]5[Me2NH2]3[Re4Se4(S3)4(S4)2]2.2.25H2O and [NH4]4[Re4Te4(S3)4(S4)2].8H2O","Inorganic Chemistry","2001","40","","5472","5474","10.1021/ic010434a","","","0.71073","MoKα","","0.0296","0.0265","","","0.0631","0.0649","","","","","","1.061","","","","has coordinates","179306","2020-10-21","18:00:00","" "4320354","14.282","0.004","22.526","0.004","15.2241","0.0019","90","","90.406","0.018","90","","4897.7","1.7","293","2","293","2","","","","","","","See text","6","P 1 21/n 1","-P 2yn","14","","","","- C74 H72 F42 N2 Pt2 S6 -","- C74 H72 F42 N2 Pt2 S6 -","- C148 H144 F84 N4 Pt4 S12 -","2","0.5","","Wesley R. Browne; Christine M. O'Connor; Claudio Villani; Johannes G. Vos","Separation and Photophysical Properties of the ΔΔ, ΛΛ, ΔΛ, and ΛΔ Stereoisomers of a Dinuclear Ruthenium(II) Complex","Inorganic Chemistry","2001","40","","5461","5464","10.1021/ic010473m","","x-ray","0.71073","MoKα","","0.1598","0.0721","","","0.1531","0.1905","","","","","","1.007","","","","has coordinates,has disorder","179306","2020-10-21","18:00:00","" "4320355","14.1703","0.0017","19.2766","0.0018","14.763","0.003","90","","94.362","0.011","90","","4020.9","1","298","2","298","2","","","","","","","See text","6","P 1 21/n 1","-P 2yn","14","","","","- C68 H72 F30 N2 Pt2 S6 -","- C68 H72 F30 N2 Pt2 S6 -","- C136 H144 F60 N4 Pt4 S12 -","2","0.5","","Wesley R. Browne; Christine M. O'Connor; Claudio Villani; Johannes G. Vos","Separation and Photophysical Properties of the ΔΔ, ΛΛ, ΔΛ, and ΛΔ Stereoisomers of a Dinuclear Ruthenium(II) Complex","Inorganic Chemistry","2001","40","","5461","5464","10.1021/ic010473m","","x-ray","0.71073","MoKα","","0.0628","0.0411","","","0.0954","0.1091","","","","","","1.027","","","","has coordinates,has disorder","179306","2020-10-21","18:00:00","" "4320356","13.6707","0.0008","19.276","0.002","15.6448","0.0015","90","","109.012","0.007","90","","3897.8","0.6","293","2","293","2","","","","","","","See text","6","P 1 21/n 1","-P 2yn","14","","","","- C68 H78 F24 N2 Pt2 S6 -","- C68 H78 F24 N2 Pt2 S6 -","- C136 H156 F48 N4 Pt4 S12 -","2","0.5","","Wesley R. Browne; Christine M. O'Connor; Claudio Villani; Johannes G. Vos","Separation and Photophysical Properties of the ΔΔ, ΛΛ, ΔΛ, and ΛΔ Stereoisomers of a Dinuclear Ruthenium(II) Complex","Inorganic Chemistry","2001","40","","5461","5464","10.1021/ic010473m","","x-ray","0.71073","MoKα","","0.0892","0.0561","","","0.1456","0.1703","","","","","","1.032","","","","has coordinates,has disorder","179306","2020-10-21","18:00:00","" "4320357","16.6955","0.0006","16.6955","0.0006","3.5582","0.0001","90","","90","","120","","858.93","0.05","295","2","295","2","","","","","","","","3","P -6","P -6","174","niobium palladium arsenide","niobium palladium arsenide","","- As21 Nb27 Pd3 -","- As21 Nb27 Pd3 -","- As21 Nb27 Pd3 -","1","0.166667","","Meitian Wang; Arthur Mar","Nb9PdAs7: A Unique Arrangement in the Mn2+3n+2Xn2+nY Family of Hexagonal Structures","Inorganic Chemistry","2001","40","","5365","5370","10.1021/ic010544h","","","0.71073","MoKα","","0.0529","0.0328","","","0.0617","0.0728","","","","","","1.017","","","","has coordinates","179306","2020-10-21","18:00:00","" "4320358","15.1902","0.0007","16.8168","0.0008","22.68","0.001","90","","97.214","0.001","90","","5747.8","0.5","295","2","295","2","","","","","","","hydrothermal synthesis","6","C 1 2/c 1","-C 2yc","15","","","","- C24 H32 N4 Ni O10 P2 -","- C24 H32 N4 Ni O10 P2 -","- C192 H256 N32 Ni8 O80 P16 -","8","1","","Yau-Chen Jiang; Yu-Chen Lai; Sue-Lein Wang; Kwang-Hwa Lii","[Ni(4,4'-bpy)2(H2PO4)2].C4H9OH.H2O: a Novel Metal Phosphate That Exhibits Interpenetration of 2D Net into 3D Framework","Inorganic Chemistry","2001","40","","5320","5321","10.1021/ic0106017","","","0.71073","MoKα","","0.0463","0.0395","","0.116","0.1107","","","","1.032","1.063","1.063","","","","","has coordinates","179306","2020-10-21","18:00:00","" "4320359","6.8528","0.0006","10.0584","0.0009","17.3064","0.0015","90","","90","","90","","1192.9","0.18","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C7 Mn2 O7 S2 -","- C7 Mn2 O7 S2 -","- C28 Mn8 O28 S8 -","4","1","","Richard D. Adams; O-Sung Kwon; Mark D. Smith","Mn2(CO)6(μ-CO)(μ-S2): The Simplest Disulfide of Manganese Carbonyl","Inorganic Chemistry","2001","40","","5322","5323","10.1021/ic010619h","","","0.71073","MoKα","","0.027","0.0257","","","0.0601","0.0606","","","","","","1.002","","","","has coordinates","179306","2020-10-21","18:00:00","" "4320360","9.3161","0.0007","15.5165","0.0011","18.1976","0.0013","90","","96.028","0.002","90","","2616","0.3","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 Mn4 O15 S4 -","- C15 Mn4 O15 S4 -","- C60 Mn16 O60 S16 -","4","1","","Richard D. Adams; O-Sung Kwon; Mark D. Smith","Mn2(CO)6(μ-CO)(μ-S2): The Simplest Disulfide of Manganese Carbonyl","Inorganic Chemistry","2001","40","","5322","5323","10.1021/ic010619h","","","0.71073","MoKα","","0.0582","0.0374","","","0.0745","0.0811","","","","","","0.908","","","","has coordinates","179306","2020-10-21","18:00:00","" "4320361","9.619","0.002","16.059","0.002","18.349","0.003","90","","101","0.01","90","","2782.3","0.8","293.2","","293.2","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C16 H3 Mn4 N O14 S4 -","- C16 Mn4 N O14 S4 -","- C64 Mn16 N4 O56 S16 -","4","1","","Richard D. Adams; O-Sung Kwon; Mark D. Smith","Mn2(CO)6(μ-CO)(μ-S2): The Simplest Disulfide of Manganese Carbonyl","Inorganic Chemistry","2001","40","","5322","5323","10.1021/ic010619h","","","0.7107","MoKα","","0.0324","0.0324","","0.0538","","0.0538","","","1.257","","","1.257","","","","has coordinates","176467","2020-10-21","18:00:00","" "4320362","27.827","0.002","33.959","0.003","9.4488","0.0007","90","","90","","90","","8928.9","1.2","190","2","190","2","","","","","","","","7","F d d 2","F 2 -2d","43","","","","- C33 H26 Cl4 Mn4 O15 P2 S2 -","- C33 H26 Cl4 Mn4 O15 P2 S2 -","- C264 H208 Cl32 Mn32 O120 P16 S16 -","8","0.5","","Richard D. Adams; O-Sung Kwon; Mark D. Smith","Mn2(CO)6(μ-CO)(μ-S2): The Simplest Disulfide of Manganese Carbonyl","Inorganic Chemistry","2001","40","","5322","5323","10.1021/ic010619h","","","0.71073","MoKα","","0.0574","0.0504","","","0.1331","0.1372","","","","","","1.045","","","","has coordinates","264242","2021-04-16","08:52:17","" "4320363","40.889","0.007","19.545","0.004","16.642","0.004","90","","90.717","0.006","90","","13299","5","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C45 H48 Cu3 N9 O13 -","- C45 H40 Cu3 N9 O13 -","- C360 H320 Cu24 N72 O104 -","8","1","","Zhan Shi; Shouhua Feng; Yan Sun; Jia Hua","Novel Coordination Polymers with Mixed Ligands and Orientated Enantiomers","Inorganic Chemistry","2001","40","","5312","5313","10.1021/ic015518y","","","0.71073","MoKα","","0.1174","0.0572","","","0.1189","0.1395","","","","","","0.93","","","","has coordinates","179306","2020-10-21","18:00:00","" "4320364","11.1593","0.0008","11.5796","0.0009","19.8628","0.0015","90.487","0.002","98.53","0.002","101.598","0.002","2484.5","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C34 H58 Cu2 N6 O20 -","- C34 H34 Cu2 N6 O20 -","- C68 H68 Cu4 N12 O40 -","2","1","","Zhan Shi; Shouhua Feng; Yan Sun; Jia Hua","Novel Coordination Polymers with Mixed Ligands and Orientated Enantiomers","Inorganic Chemistry","2001","40","","5312","5313","10.1021/ic015518y","","","0.71073","MoKα","","0.0737","0.0588","","","0.178","0.192","","","","","","1.069","","","","has coordinates","179306","2020-10-21","18:00:00","" "4320365","8.954","0.002","14.536","0.004","8.22","0.002","105.55","0.01","109.61","0.01","77.7","0.02","962","0.4","153.1","","","","","","","","","","","4","P -1","-P 1","2","","","","- C21 H25 N3 O2 -","- C21 H25 N3 O2 -","- C42 H50 N6 O4 -","2","1","","Seiji Yokota; Yoshimitsu Tachi; Nagatoshi Nishiwaki; Masahiro Ariga; Shinobu Itoh","A New β-Diketiminate Ligand Carrying a Functional Group on the Carbon Framework. Synthesis and Characterization of a Linear Polymeric Copper(I) Complex","Inorganic Chemistry","2001","40","","5316","5317","10.1021/ic0155535","","","0.7107","MoKα","","","0.08","","","","0.103","","","","","","1.165","","","","has coordinates","176467","2020-10-21","18:00:00","" "4320366","7.2949","0.0002","15.7167","0.0005","16.6267","0.0004","90","","100.062","0.0007","90","","1876.96","0.09","123.1","","","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C21 H24 Cu N3 O2 -","- C21 H24 Cu N3 O2 -","- C84 H96 Cu4 N12 O8 -","4","1","","Seiji Yokota; Yoshimitsu Tachi; Nagatoshi Nishiwaki; Masahiro Ariga; Shinobu Itoh","A New β-Diketiminate Ligand Carrying a Functional Group on the Carbon Framework. Synthesis and Characterization of a Linear Polymeric Copper(I) Complex","Inorganic Chemistry","2001","40","","5316","5317","10.1021/ic0155535","","","0.7107","MoKα","","","0.031","","","","0.046","","","","","","0.862","","","","has coordinates","176467","2020-10-21","18:00:00","" "4320367","20.2586","0.0007","17.5332","0.0006","18.5394","0.0006","90","","109.736","0.001","90","","6198.3","0.4","90","2","90","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","[NacNacGe][OH{B(C6F5)3}2]","","","- C65 H42 B2 F30 Ge N2 O -","- C65 H42 B2 F30 Ge N2 O -","- C260 H168 B8 F120 Ge4 N8 O4 -","4","1","","Matthias Stender; Andrew D. Phillips; Philip P. Power","Characterization and Bonding of the Cation [Ge{N(C6H3-2,6-i-Pr2)CMe}2CH]+: Comparison with the Isoelectronic Ga{N(C6H3-2,6-i-Pr2)CMe}2CH","Inorganic Chemistry","2001","40","","5314","5315","10.1021/ic0155582","","","0.71073","MoKα","","0.147","0.0561","","","0.1021","0.1341","","","","","","0.992","","","","has coordinates","179306","2020-10-21","18:00:00","" "4320368","11.514","0.002","13.3","0.003","14.225","0.003","74.86","0.03","72.61","0.03","74.31","0.03","1962.4","0.8","293","2","293","2","","","","","","","","6","P -1","-P 1","2","MnTMC","","","- C40 H55 B Cl Mn N5 -","- C40 H55 B Cl Mn N5 -","- C80 H110 B2 Cl2 Mn2 N10 -","2","1","","Christophe Bucher; Emmanuelle Duval; Jean-Michel Barbe; Jean-Noël Verpeaux; Christian Amatore; Roger Guilard; Laurent Le Pape; Jean-Marc Latour; S. Dahaoui; Claude Lecomte","Synthesis, X-ray Structure, Electrochemical, and EPR Studies of a Pentacoordinated Mn(II) Tetramethylcyclam Complex","Inorganic Chemistry","2001","40","","5722","5726","10.1021/ic001472h","","","0.71073","MoKα","","0.0753","0.0594","","","0.163","0.173","","","","","","1.056","","","","has coordinates","179306","2020-10-21","18:00:00","" "4320369","9.804","0.001","14.558","0.002","20.358","0.003","90","","103.913","0.002","90","","2820.4","0.6","150","","150","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C20 H45 Cl3 Cu N8 O5 -","- C20 H45 Cl3 Cu N8 O5 -","- C80 H180 Cl12 Cu4 N32 O20 -","4","1","","Paul S. Donnelly; Jack M. Harrowfield; Brian W. Skelton; Allan H. White","Carboxymethylated Cage Amines: Coordination and Lactamization","Inorganic Chemistry","2001","40","","5645","5652","10.1021/ic010049l","","","0.71073","MoKα","","0.062","0.041","","0.05","","0.046","","","1.256","","","1.372","","","","has coordinates","176432","2020-10-21","18:00:00","" "4320370","11.01","0.001","12.943","0.001","19.68","0.002","90","","92.506","0.001","90","","2801.8","0.4","293","","293","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C16 H43 Cl0.5 Cu N11.5 O15 -","- C16 H38 Cl0.5 Cu N11.5 O15 -","- C64 H152 Cl2 Cu4 N46 O60 -","4","1","","Paul S. Donnelly; Jack M. Harrowfield; Brian W. Skelton; Allan H. White","Carboxymethylated Cage Amines: Coordination and Lactamization","Inorganic Chemistry","2001","40","","5645","5652","10.1021/ic010049l","","","0.71073","MoKα","","0.072","0.054","","0.069","","0.066","","","1.57","","","1.707","","","","has coordinates","176432","2020-10-21","18:00:00","" "4320371","16.8083","0.0016","16.8083","0.0016","19.121","0.003","90","","90","","90","","5402","1.1","293","2","293","2","","","","","","","","5","P 43 21 2","P 4nw 2abw","96","","","","- C19 H8 Co4 N2 O13 -","- C19 H8 Co4 N2 O13 -","- C152 H64 Co32 N16 O104 -","8","1","","Fung-E Hong; Yu-Tain Tsai; Chang; Bao-Tsan Ko","Linking Two Alkyne-Bridged Dicobalt Complexes via a Urea-Based Ligand: Synthesis and Spectroscopic and Structural Characterization of {[Co2(CO)6(μ-HC\τbC-)]-CH2NH}2CO","Inorganic Chemistry","2001","40","","5487","5488","10.1021/ic010071e","","","0.71073","MoKα","","0.1135","0.048","","","0.0971","0.1176","","","","","","1.015","","","","has coordinates","179306","2020-10-21","18:00:00","" "4320372","7.973","0.005","25.88","0.017","8.781","0.006","90","","112.196","0.013","90","","1677.6","1.9","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C12 H5 Co3 O9 -","- C12 H5 Co3 O9 -","- C48 H20 Co12 O36 -","4","1","","Fung-E Hong; Yu-Tain Tsai; Chang; Bao-Tsan Ko","Linking Two Alkyne-Bridged Dicobalt Complexes via a Urea-Based Ligand: Synthesis and Spectroscopic and Structural Characterization of {[Co2(CO)6(μ-HC\τbC-)]-CH2NH}2CO","Inorganic Chemistry","2001","40","","5487","5488","10.1021/ic010071e","","","0.71073","MoKα","","0.2101","0.105","","","0.2159","0.283","","","","","","0.982","","","","has coordinates","179306","2020-10-21","18:00:00","" "4320373","12.1144","0.0006","12.6084","0.0006","14.5072","0.0007","101.374","0.001","103.757","0.001","109.34","0.001","1936.6","0.16","203","2","203","2","","","","","","","","8","P -1","-P 1","2","","","","- C52 H118 Cl0 K N8 O9 Si4 U2 -","- C52 H100 K N8 O9 Si4 U2 -","- C52 H100 K N8 O9 Si4 U2 -","1","0.5","","Paul B. Duval; Carol J. Burns; Wayne E. Buschmann; David L. Clark; David E. Morris; Brian L. Scott","Reaction of the Uranyl(VI) Ion (UO22+) with a Triamidoamine Ligand: Preparation and Structural Characterization of a Mixed-Valent Uranium(V/VI) Oxo-Imido Dimer","Inorganic Chemistry","2001","40","","5491","5496","10.1021/ic010155n","","","0.71073","MoKα","","0.0524","0.0446","","","0.1315","0.1366","","","","","","1.303","","","","has coordinates","179306","2020-10-21","18:00:00","" "4320374","14.337","0.009","10.232","0.005","16.405","0.009","90","","115.2","0.03","90","","2178","2","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C15.83 H28.17 B Co N5 O8 -","- C15.83 H23 B Co N5 O7.98 -","- C63.32 H92 B4 Co4 N20 O31.92 -","4","1","","Renata Dreos; Giorgio Nardin; Lucio Randaccio; Patrizia Siega; Giovanni Tauzher; Višnja Vrdoljak","A Molecular Box Derived from Cobaloxime Units Held Together by 4-Pyridinylboronic Acid Residues","Inorganic Chemistry","2001","40","","5536","5540","10.1021/ic0102034","","","0.71073","MoKα","","0.2854","0.0961","","0.3678","0.2414","","","","0.608","0.786","0.786","","","","","has coordinates","179306","2020-10-21","18:00:00","" "4320375","15.8165","0.0009","13.1367","0.0007","12.9107","0.0007","90","","90","","90","","2682.5","0.3","203","","203","","","","","","","","","8","C m c 21","C 2c -2","36","","","","- C20 H31 Cl Cu F6 N5 O3 P -","- C20 H31 Cl Cu F6 N5 O3 P -","- C80 H124 Cl4 Cu4 F24 N20 O12 P4 -","4","0.5","","Oshio, Hiroki; Yamamoto, Masashi; Ito, Tasuku; Kawauchi, Hidekazu; Koga, Nobuaki; Ikoma, Tadaaki; Tero-Kubota, Shozo","Experimental and Theoretical Studies on Ferromagnetically Coupled Metal Complexes with Imino Nitroxides","Inorganic Chemistry","2001","40","22","5518","5525","10.1021/ic0102384","","","0.71073","MoKα","","0.0253","0.0242","","","0.0649","0.0656","","","","","","1.024","","","","has coordinates","210310","2020-10-21","18:00:00","" "4320376","15.0975","0.0008","12.3488","0.0007","24.2596","0.0013","90","","98.143","0.001","90","","4477.3","0.4","203","","203","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C19 H27 Cl2 N5 O2 Zn -","- C19 H27 Cl2 N5 O2 Zn -","- C152 H216 Cl16 N40 O16 Zn8 -","8","2","","Oshio, Hiroki; Yamamoto, Masashi; Ito, Tasuku; Kawauchi, Hidekazu; Koga, Nobuaki; Ikoma, Tadaaki; Tero-Kubota, Shozo","Experimental and Theoretical Studies on Ferromagnetically Coupled Metal Complexes with Imino Nitroxides","Inorganic Chemistry","2001","40","22","5518","5525","10.1021/ic0102384","","","0.71073","MoKα","","0.0449","0.0328","","","0.0912","0.0963","","","","","","1.052","","","","has coordinates","210310","2020-10-21","18:00:00","" "4320377","6.5936","0.0002","13.2244","0.0004","16.2682","0.0005","108.163","0.001","100.676","0.001","92.614","0.001","1316.38","0.07","203","","203","","","","","","","","","6","P -1","-P 1","2","","","","- C19 H35 Cl2 N5 Ni O6 -","- C19 H35 Cl2 N5 Ni O6 -","- C38 H70 Cl4 N10 Ni2 O12 -","2","1","","Oshio, Hiroki; Yamamoto, Masashi; Ito, Tasuku; Kawauchi, Hidekazu; Koga, Nobuaki; Ikoma, Tadaaki; Tero-Kubota, Shozo","Experimental and Theoretical Studies on Ferromagnetically Coupled Metal Complexes with Imino Nitroxides","Inorganic Chemistry","2001","40","22","5518","5525","10.1021/ic0102384","","","0.71073","MoKα","","0.0539","0.0431","","","0.1085","0.1138","","","","","","1.025","","","","has coordinates","210310","2020-10-21","18:00:00","" "4320378","23.3553","0.0011","15.175","0.0007","20.8893","0.001","90","","97.479","0.001","90","","7340.5","0.6","91","2","91","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","m-H2O-{(ZnII(OEB-10,15,19-(CN)3)}2oacetone","","","- C79 H90 N14 O4 Zn2 -","- C79 H90 N14 O4 Zn2 -","- C316 H360 N56 O16 Zn8 -","4","0.5","","James A. Johnson; Marilyn M. Olmstead; Alan M. Stolzenberg; Alan L. Balch","Ring-Opening and Meso Substitution from the Reaction of Cyanide Ion with Zinc Verdohemes","Inorganic Chemistry","2001","40","","5585","5595","10.1021/ic0103300","","","0.71073","MoKα","","0.0827","0.043","","","0.1034","0.1166","","","","","","0.965","","","","has coordinates,has disorder","179306","2020-10-21","18:00:00","" "4320379","23.102","0.004","15.6338","0.0016","20.557","0.003","90","","90","","90","","7424.6","1.8","133","2","133","2","","","","","","","","5","P b c n","-P 2n 2ab","60","m-H2O-{ZnII(OEB-10,19-(CN)2)}2o0.5acetoneo0.6H2O","","","- C75.8 H89.65 N12.3 O4.1 Zn2 -","- C75.838 H85.66 N12.338 O4.1 Zn2 -","- C303.352 H342.64 N49.352 O16.4 Zn8 -","4","0.5","","James A. Johnson; Marilyn M. Olmstead; Alan M. Stolzenberg; Alan L. Balch","Ring-Opening and Meso Substitution from the Reaction of Cyanide Ion with Zinc Verdohemes","Inorganic Chemistry","2001","40","","5585","5595","10.1021/ic0103300","","","1.54178","CuKα","","0.1335","0.08","","","0.2063","0.2454","","","","","","1.05","","","","has coordinates","176467","2020-10-21","18:00:00","" "4320380","11.465","0.003","12.133","0.003","13.833","0.003","96.78","0.004","96.299","0.004","104.384","0.004","1831.4","0.8","90","2","90","2","","","","","","","","5","P -1","-P 1","2","[CoOEB-15,19-(CN)2].acetone","","","- C40 H48 Co N6 O2 -","- C40 H48 Co N6 O2 -","- C80 H96 Co2 N12 O4 -","2","1","","James A. Johnson; Marilyn M. Olmstead; Alan M. Stolzenberg; Alan L. Balch","Ring-Opening and Meso Substitution from the Reaction of Cyanide Ion with Zinc Verdohemes","Inorganic Chemistry","2001","40","","5585","5595","10.1021/ic0103300","","","0.71073","MoKα","","0.0808","0.0518","","","0.1273","0.1433","","","","","","1.033","","","","has coordinates","179306","2020-10-21","18:00:00","" "4320381","25.422","0.006","28.228","0.005","16.741","0.008","90","","90","","90","","12014","7","296.2","","","","","","","","","","","6","C c c a :2","-C 2a 2ac","68","","","","- C53 H70 Cs N25 Ni2 O -","- C48 H58 Cs N25 Ni2 O2 -","- C384 H464 Cs8 N200 Ni16 O16 -","8","0.5","","Makoto Tadokoro; Takumasa Shiomi; Kiyoshi Isobe; Kazuhiro Nakasuji","Cesium(I)-Mediated 3-D Superstructures by One-Pot Self-Organization of Hydrogen-Bonded Nickel Complexes","Inorganic Chemistry","2001","40","","5476","5478","10.1021/ic010331s","","","0.7107","MoKα","","","0.0415","","","","0.0523","","","","","","1.235","","","","has coordinates","176467","2020-10-21","18:00:00","" "4320382","12.601","0.003","13.274","0.003","13.363","0.003","90","","97.02","0.02","90","","2218.4","0.9","296.2","","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H15 Cs N12 Ni -","- C18 H15 Cs N12 Ni -","- C72 H60 Cs4 N48 Ni4 -","4","1","","Makoto Tadokoro; Takumasa Shiomi; Kiyoshi Isobe; Kazuhiro Nakasuji","Cesium(I)-Mediated 3-D Superstructures by One-Pot Self-Organization of Hydrogen-Bonded Nickel Complexes","Inorganic Chemistry","2001","40","","5476","5478","10.1021/ic010331s","","","1.5418","CuKα","","","0.0632","","","","0.0843","","","","","","1.169","","","","has coordinates","176467","2020-10-21","18:00:00","" "4320383","13.885","0.002","11.01","0.002","8.755","0.001","90","","94.21","0.02","90","","1334.8","0.3","293","2","293","2","","","","","","","aqueous synthesis","5","C 1 2/c 1","-C 2yc","15","","catena-(mu-oxalato)-bis(2-aminopyridine)-cobalt(II)","","- C12 H12 Co N4 O4 -","- C12 H12 Co N4 O4 -","- C48 H48 Co4 N16 O16 -","4","0.5","","Oscar Castillo; Antonio Luque; Pascual Román; Francesc Lloret; Miguel Julve","Syntheses, Crystal Structures, and Magnetic Properties of One-Dimensional Oxalato-Bridged Co(II), Ni(II), and Cu(II) Complexes withn-Aminopyridine (n= 2-4) as Terminal Ligand","Inorganic Chemistry","2001","40","","5526","5535","10.1021/ic0103401","","","0.71069","MoKα","","0.134","0.0581","","0.1392","0.1187","","","","0.951","1.103","1.103","","","","","has coordinates","176467","2020-10-21","18:00:00","" "4320384","13.472","0.002","11.246","0.002","8.694","0.002","90","","93.75","0.01","90","","1314.4","0.4","293","2","293","2","","","","","","","aqueous synthesis","5","C 1 2/c 1","-C 2yc","15","","catena-(mu-oxalato)-bis(2-aminopyridine)-copper(II)","","- C12 H12 Cu N4 O4 -","- C12 H12 Cu N4 O4 -","- C48 H48 Cu4 N16 O16 -","4","0.5","","Oscar Castillo; Antonio Luque; Pascual Román; Francesc Lloret; Miguel Julve","Syntheses, Crystal Structures, and Magnetic Properties of One-Dimensional Oxalato-Bridged Co(II), Ni(II), and Cu(II) Complexes withn-Aminopyridine (n= 2-4) as Terminal Ligand","Inorganic Chemistry","2001","40","","5526","5535","10.1021/ic0103401","","","0.71069","MoKα","","0.0363","0.0284","","0.0834","0.0812","","","","1.054","1.094","1.094","","","","","has coordinates","176467","2020-10-21","18:00:00","" "4320385","12.318","0.003","13.014","0.002","18.675","0.002","90","","90","","90","","2993.7","0.9","293","2","293","2","","","","","","","aqueous synthesis","5","P c n n","-P 2ab 2c","52","","catena-(mu-oxalato)-bis(3-aminopyridine)-cobalt(II)-water (1/1.5)","","- C12 H15 Co N4 O5.5 -","- C12 H12 Co N4 O5.5 -","- C96 H96 Co8 N32 O44 -","8","1","","Oscar Castillo; Antonio Luque; Pascual Román; Francesc Lloret; Miguel Julve","Syntheses, Crystal Structures, and Magnetic Properties of One-Dimensional Oxalato-Bridged Co(II), Ni(II), and Cu(II) Complexes withn-Aminopyridine (n= 2-4) as Terminal Ligand","Inorganic Chemistry","2001","40","","5526","5535","10.1021/ic0103401","","","0.71069","MoKα","","0.2433","0.0859","","0.157","0.1172","","","","1.754","1.309","1.309","","","","","has coordinates","176467","2020-10-21","18:00:00","" "4320386","12.387","0.001","12.935","0.003","18.632","0.002","90","","90","","90","","2985.3","0.8","293","2","293","2","","","","","","","aqueous synthesis","5","P c n n","-P 2ab 2c","52","","catena-(mu-oxalato)-bis(3-aminopyridine)-copper(II)-water (1/1.5)","","- C12 H15 Cu N4 O5.5 -","- C12 H12 Cu N4 O5.5 -","- C96 H96 Cu8 N32 O44 -","8","1","","Oscar Castillo; Antonio Luque; Pascual Román; Francesc Lloret; Miguel Julve","Syntheses, Crystal Structures, and Magnetic Properties of One-Dimensional Oxalato-Bridged Co(II), Ni(II), and Cu(II) Complexes withn-Aminopyridine (n= 2-4) as Terminal Ligand","Inorganic Chemistry","2001","40","","5526","5535","10.1021/ic0103401","","","0.71069","MoKα","","0.074","0.0631","","0.1968","0.193","","","","1.216","1.303","1.303","","","","","has coordinates","176467","2020-10-21","18:00:00","" "4320387","16.478","0.003","5.484","0.001","16.592","0.002","90","","117.76","0.01","90","","1326.8","0.4","293","2","293","2","","","","","","","aqueous synthesis","5","C 1 2/c 1","-C 2yc","15","","catena-(mu-oxalato)-bis(4-aminopyridine)-cobalt(II)","","- C12 H12 Co N4 O4 -","- C12 H12 Co N4 O4 -","- C48 H48 Co4 N16 O16 -","4","0.5","","Oscar Castillo; Antonio Luque; Pascual Román; Francesc Lloret; Miguel Julve","Syntheses, Crystal Structures, and Magnetic Properties of One-Dimensional Oxalato-Bridged Co(II), Ni(II), and Cu(II) Complexes withn-Aminopyridine (n= 2-4) as Terminal Ligand","Inorganic Chemistry","2001","40","","5526","5535","10.1021/ic0103401","","","0.71069","MoKα","","0.0674","0.0376","","0.1042","0.0973","","","","1.216","1.13","1.13","","","","","has coordinates","179306","2020-10-21","18:00:00","" "4320388","5.342","0.001","17.078","0.003","29.469","0.004","90","","90","","90","","2688.5","0.8","293","2","293","2","","","","","","","aqueous synthesis","5","F d d d :2","-F 2uv 2vw","70","","catena-(mu-oxalato)-bis(4-aminopyridine)-nickel(II)","","- C12 H12 N4 Ni O4 -","- C12 H12 N4 Ni O4 -","- C96 H96 N32 Ni8 O32 -","8","0.25","","Oscar Castillo; Antonio Luque; Pascual Román; Francesc Lloret; Miguel Julve","Syntheses, Crystal Structures, and Magnetic Properties of One-Dimensional Oxalato-Bridged Co(II), Ni(II), and Cu(II) Complexes withn-Aminopyridine (n= 2-4) as Terminal Ligand","Inorganic Chemistry","2001","40","","5526","5535","10.1021/ic0103401","","","0.71069","MoKα","","0.2371","0.0636","","0.1899","0.1545","","","","0.856","1.168","1.168","","","","","has coordinates","179306","2020-10-21","18:00:00","" "4320389","5.663","0.001","16.589","0.002","29.125","0.007","90","","90","","90","","2736.1","0.9","293","2","293","2","","","","","","","aqueous synthesis","5","F d d d :2","-F 2uv 2vw","70","","catena-(mu-oxalato)-bis(4-aminopyridine)-copper(II)","","- C12 H12 Cu N4 O4 -","- C12 H12 Cu N4 O4 -","- C96 H96 Cu8 N32 O32 -","8","0.25","","Oscar Castillo; Antonio Luque; Pascual Román; Francesc Lloret; Miguel Julve","Syntheses, Crystal Structures, and Magnetic Properties of One-Dimensional Oxalato-Bridged Co(II), Ni(II), and Cu(II) Complexes withn-Aminopyridine (n= 2-4) as Terminal Ligand","Inorganic Chemistry","2001","40","","5526","5535","10.1021/ic0103401","","","0.71069","MoKα","","0.0481","0.041","","0.1076","0.1051","","","","1.149","1.219","1.219","","","","","has coordinates","179306","2020-10-21","18:00:00","" "4320390","18.3231","0.0007","10.1179","0.0004","20.6228","0.0008","90","","106.033","0.002","90","","3674.6","0.2","293","2","293","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C6 H17 As3 F4 Fe3 N2 O12.5 -","- C6 H16 As3 F4 Fe3 N2 O12.5 -","- C48 H128 As24 F32 Fe24 N16 O100 -","8","1","","Begoña Bazán; José L. Mesa; José L. Pizarro; A. Goñi; L. Lezama; María I. Arriortua; Teófilo Rojo","A New Three-Dimensional Inorganic-Organic Hybrid Fluorinated-Iron(III) Arsenate: (C6H14N2)[Fe3(HAsO4)2(AsO4)F4]0.5H2O. Hydrothermal Synthesis, Crystal Structure, and Spectroscopic and Magnetic Properties","Inorganic Chemistry","2001","40","","5691","5694","10.1021/ic0103796","","","1.54184","CuKα","","0.0641","0.0616","","","0.1579","0.1608","","","","","","1.006","","","","has coordinates","176467","2020-10-21","18:00:00","" "4320391","6.722","0.004","13.05","0.006","26.141","0.013","90","","90","","90","","2293","2","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","(-)-Isopropyl-di-pinene-[5,6]-bipyridine","","","- C27 H34 N2 -","- C27 H34 N2 -","- C108 H136 N8 -","4","1","","Didier Lötscher; Stefan Rupprecht; Philippe Collomb; Peter Belser; Heiko Viebrock; Alex von Zelewsky; Peter Burger","Stereoselective Synthesis of Chiral Pinene[5,6]bipyridine Ligands and Their Coordination Chemistry","Inorganic Chemistry","2001","40","","5675","5681","10.1021/ic010411w","","","0.71073","MoKα","","0.1155","0.0833","","0.2009","0.1773","","","","1.077","1.162","1.162","","","","","has coordinates","201982","2020-10-21","18:00:00","" "4320392","8.223","0.0009","12.959","0.002","12.577","0.0015","90","","100.2","0.009","90","","1319","0.3","173","2","173","2","","","","","","","","3","P 1 21 1","P 2yb","4","(-)-Bis-propyl-di-pinene-[5,6]-bipyridine","","","- C30 H40 N2 -","- C30 H40 N2 -","- C60 H80 N4 -","2","1","","Didier Lötscher; Stefan Rupprecht; Philippe Collomb; Peter Belser; Heiko Viebrock; Alex von Zelewsky; Peter Burger","Stereoselective Synthesis of Chiral Pinene[5,6]bipyridine Ligands and Their Coordination Chemistry","Inorganic Chemistry","2001","40","","5675","5681","10.1021/ic010411w","","","0.71069","MoKα","","0.1976","0.0826","","0.2261","0.1629","","","","1.04","1.19","1.19","","","","","has coordinates","201982","2020-10-21","18:00:00","" "4320393","12.677","0.003","14.211","0.002","7.945","0.002","90","","90","","90","","1431.3","0.5","153","2","153","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","Bis-(-)-pinene-[5,6]-bipyridine cobalt(II) di chloride","","","- C29 H40 Cl2 Co N2 -","- C29 H28 Cl2 Co N2 -","- C58 H56 Cl4 Co2 N4 -","2","0.5","","Didier Lötscher; Stefan Rupprecht; Philippe Collomb; Peter Belser; Heiko Viebrock; Alex von Zelewsky; Peter Burger","Stereoselective Synthesis of Chiral Pinene[5,6]bipyridine Ligands and Their Coordination Chemistry","Inorganic Chemistry","2001","40","","5675","5681","10.1021/ic010411w","","","0.71073","MoKα","","0.0777","0.0707","","0.1933","0.1862","","","","1.216","1.214","1.214","","","","","has coordinates","179306","2020-10-21","18:00:00","" "4320394","14.422","0.003","10.643","0.002","18.488","0.01","90","","111.36","0.04","90","","2642.9","1.8","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C23 H34 Cl Co N6 O6 -","- C23 H34 Cl Co N6 O6 -","- C92 H136 Cl4 Co4 N24 O24 -","4","1","","Renata Dreos; Alessandro Felluga; Giorgio Nardin; Lucio Randaccio; Patrizia Siega; Giovanni Tauzher","A New Organocobalt Complex Containing a Co-N-C Three Membered Ring","Inorganic Chemistry","2001","40","","5541","5546","10.1021/ic010418d","","","0.7107","MoKα","","0.0757","0.0663","","","0.1905","0.2044","","","","","","1.05","","","","has coordinates","179306","2020-10-21","18:00:00","" "4320395","13.267","0.005","21.456","0.005","25.962","0.006","90","","103.93","0.03","90","","7173","4","293","2","293","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C43 H64 F12 N6 O25 P4 Ru2 S6 -","- C37 H64 F12 N6 O25 P4 Ru2 S6 -","- C148 H256 F48 N24 O100 P16 Ru8 S24 -","4","1","","Hiroyasu Sugiyama; Yong-Shou Lin; Hossain; Kazuko Matsumoto","Facile Allylic C-H Bond Activation on the Bridging Disulfide Ligand in the RuIII Dinuclear Complex Having a Conjugated RuSSRu Core","Inorganic Chemistry","2001","40","","5547","5552","10.1021/ic010422p","","","0.71069","MoK?a","","0.2486","0.1293","","","0.3267","0.3925","","","","","","1.181","","","","has coordinates","179306","2020-10-21","18:00:00","" "4320396","13.3995","0.0009","20.1101","0.0014","25.2525","0.0016","90","","99.308","0.002","90","","6715.1","0.8","123","2","123","2","","","","","","","","8","C 1 c 1","C -2yc","9","","","","- C34 H64 F12 N6 O24 P4 Ru2 S6 -","- C34 H55 F12 N6 O24 P4 Ru2 S6 -","- C136 H220 F48 N24 O96 P16 Ru8 S24 -","4","1","","Hiroyasu Sugiyama; Yong-Shou Lin; Hossain; Kazuko Matsumoto","Facile Allylic C-H Bond Activation on the Bridging Disulfide Ligand in the RuIII Dinuclear Complex Having a Conjugated RuSSRu Core","Inorganic Chemistry","2001","40","","5547","5552","10.1021/ic010422p","","","0.71073","MoK?a","","0.1015","0.0775","","","0.1982","0.2163","","","","","","0.987","","","","has coordinates","179306","2020-10-21","18:00:00","" "4320397","12.7356","0.001","12.7416","0.0009","20.6047","0.0015","94.527","0.002","105.947","0.001","90.173","0.002","3203.8","0.4","293","2","123","2","","","","","","","","8","P -1","-P 1","2","","","","- C33 H64 F12 N6 O24 P4 Ru2 S6 -","- C33 H64 F12 N6 O24 P4 Ru2 S6 -","- C66 H128 F24 N12 O48 P8 Ru4 S12 -","2","1","","Hiroyasu Sugiyama; Yong-Shou Lin; Hossain; Kazuko Matsumoto","Facile Allylic C-H Bond Activation on the Bridging Disulfide Ligand in the RuIII Dinuclear Complex Having a Conjugated RuSSRu Core","Inorganic Chemistry","2001","40","","5547","5552","10.1021/ic010422p","","","0.71073","MoK?a","","0.1053","0.0788","","","0.1919","0.2114","","","","","","0.981","","","","has coordinates","179306","2020-10-21","18:00:00","" "4320398","12.0626","0.0018","20.535","0.003","26.819","0.004","90","","92.039","0.004","90","","6639","1.7","293","2","293","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C33 H62 F12 N6 O24 P4 Ru2 S6 -","- C33 H62 F12 N6 O24 P4 Ru2 S6 -","- C132 H248 F48 N24 O96 P16 Ru8 S24 -","4","1","","Hiroyasu Sugiyama; Yong-Shou Lin; Hossain; Kazuko Matsumoto","Facile Allylic C-H Bond Activation on the Bridging Disulfide Ligand in the RuIII Dinuclear Complex Having a Conjugated RuSSRu Core","Inorganic Chemistry","2001","40","","5547","5552","10.1021/ic010422p","","","0.71073","MoK?a","","0.2413","0.0806","","","0.1972","0.2623","","","","","","0.844","","","","has coordinates","179306","2020-10-21","18:00:00","" "4320399","12.1799","0.0015","12.7237","0.0016","23.504","0.003","79.478","0.002","75.505","0.002","62.339","0.002","3114.1","0.7","293","2","293","2","","","","","","","","8","P -1","-P 1","2","","","","- C34 H65 F9 N6 O21 P4 Ru2 S5 -","- C34 H65 F9 N6 O21 P4 Ru2 S5 -","- C68 H130 F18 N12 O42 P8 Ru4 S10 -","2","1","","Hiroyasu Sugiyama; Yong-Shou Lin; Hossain; Kazuko Matsumoto","Facile Allylic C-H Bond Activation on the Bridging Disulfide Ligand in the RuIII Dinuclear Complex Having a Conjugated RuSSRu Core","Inorganic Chemistry","2001","40","","5547","5552","10.1021/ic010422p","","","0.71073","MoKα","","0.1224","0.0758","","","0.19","0.2178","","","","","","0.961","","","","has coordinates,has disorder","179306","2020-10-21","18:00:00","" "4320400","14.282","0.004","22.526","0.004","15.2241","0.0019","90","","90.406","0.018","90","","4897.7","1.7","293","2","293","2","","","","","","","See text","6","P 1 21/n 1","-P 2yn","14","","","","- C74 H72 F42 N2 Pt2 S6 -","- C74 H72 F42 N2 Pt2 S6 -","- C148 H144 F84 N4 Pt4 S12 -","2","0.5","","Guillermina Rivera; Sylvain Bernès; Cecilia Rodriguez de Barbarin; Hugo Torrens","Dynamic Study of Homoleptic Bimetallic Platinum(II) Complexes Bridged by Fluorinated Benzenethiolates","Inorganic Chemistry","2001","40","","5575","5580","10.1021/ic010437n","","x-ray","0.71073","MoKα","","0.1598","0.0721","","","0.1531","0.1905","","","","","","1.007","","","","has coordinates,has disorder","179307","2020-10-21","18:00:00","" "4320401","14.1703","0.0017","19.2766","0.0018","14.763","0.003","90","","94.362","0.011","90","","4020.9","1","298","2","298","2","","","","","","","See text","6","P 1 21/n 1","-P 2yn","14","","","","- C68 H72 F30 N2 Pt2 S6 -","- C68 H72 F30 N2 Pt2 S6 -","- C136 H144 F60 N4 Pt4 S12 -","2","0.5","","Guillermina Rivera; Sylvain Bernès; Cecilia Rodriguez de Barbarin; Hugo Torrens","Dynamic Study of Homoleptic Bimetallic Platinum(II) Complexes Bridged by Fluorinated Benzenethiolates","Inorganic Chemistry","2001","40","","5575","5580","10.1021/ic010437n","","x-ray","0.71073","MoKα","","0.0628","0.0411","","","0.0954","0.1091","","","","","","1.027","","","","has coordinates,has disorder","179307","2020-10-21","18:00:00","" "4320402","13.6707","0.0008","19.276","0.002","15.6448","0.0015","90","","109.012","0.007","90","","3897.8","0.6","293","2","293","2","","","","","","","See text","6","P 1 21/n 1","-P 2yn","14","","","","- C68 H78 F24 N2 Pt2 S6 -","- C68 H78 F24 N2 Pt2 S6 -","- C136 H156 F48 N4 Pt4 S12 -","2","0.5","","Guillermina Rivera; Sylvain Bernès; Cecilia Rodriguez de Barbarin; Hugo Torrens","Dynamic Study of Homoleptic Bimetallic Platinum(II) Complexes Bridged by Fluorinated Benzenethiolates","Inorganic Chemistry","2001","40","","5575","5580","10.1021/ic010437n","","x-ray","0.71073","MoKα","","0.0892","0.0561","","","0.1456","0.1703","","","","","","1.032","","","","has coordinates,has disorder","179307","2020-10-21","18:00:00","" "4320403","18.6374","0.0005","21.8098","0.0005","20.1559","0.0006","90","","104.992","0.0013","90","","7914.1","0.4","193","","193","","","","","","","","","9","P 1 21/c 1","-P 2ybc","14","","","","- C172 H148 Cl8 N4 O4 P8 Pd2 Re4 S4 -","- C172 H148 Cl8 N4 O4 P8 Pd2 Re4 S4 -","- C344 H296 Cl16 N8 O8 P16 Pd4 Re8 S8 -","2","0.5","","Shan-Ming Kuang; Phillip E. Fanwick; Richard A. Walton","Mixed-Metal Assemblies Containing Multiply Bonded Dirhenium Species Linked through Thiocyanate- and Cyanide-Containing Bridging Units","Inorganic Chemistry","2001","40","","5682","5690","10.1021/ic010442r","","","0.71073","MO-Kα","","","0.064","","","","0.116","","","","","","1.092","","","","has coordinates","179307","2020-10-21","18:00:00","" "4320404","12.4307","0.0014","15.6295","0.0014","18.061","0.002","100.162","0.007","90.857","0.005","109.607","0.007","3243.3","0.6","173","","173","","","","","","","","","7","P -1","-P 1","2","","","","- C60 H48 Cl5 N3 O2 P4 Re2 -","- C60 H48 Cl5 N3 O2 P4 Re2 -","- C120 H96 Cl10 N6 O4 P8 Re4 -","2","1","","Shan-Ming Kuang; Phillip E. Fanwick; Richard A. Walton","Mixed-Metal Assemblies Containing Multiply Bonded Dirhenium Species Linked through Thiocyanate- and Cyanide-Containing Bridging Units","Inorganic Chemistry","2001","40","","5682","5690","10.1021/ic010442r","","","0.71073","MO-Kα","","","0.056","","","","0.132","","","","","","0.971","","","","has coordinates","179307","2020-10-21","18:00:00","" "4320405","15.0095","0.0003","19.3976","0.0005","22.8577","0.0006","90","","95.5766","0.0017","90","","6623.5","0.3","295","","295","","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C66 H54 Cl5 N O7 P4 Re2 W -","- C66 H54 Cl5 N O7 P4 Re2 W -","- C264 H216 Cl20 N4 O28 P16 Re8 W4 -","4","1","","Shan-Ming Kuang; Phillip E. Fanwick; Richard A. Walton","Mixed-Metal Assemblies Containing Multiply Bonded Dirhenium Species Linked through Thiocyanate- and Cyanide-Containing Bridging Units","Inorganic Chemistry","2001","40","","5682","5690","10.1021/ic010442r","","","0.71073","MO-Kα","","","0.054","","","","0.133","","","","","","1.02","","","","has coordinates","179307","2020-10-21","18:00:00","" "4320406","40.328","0.0008","13.5887","0.0003","27.7616","0.0004","90","","106.892","0.0012","90","","14557.1","0.5","150","","150","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C64.87 H54.74 Cl3.87 N4 O P4 Re2 -","- C66 H53 Cl4 N4 O P4 Re2 -","- C528 H424 Cl32 N32 O8 P32 Re16 -","8","1","","Shan-Ming Kuang; Phillip E. Fanwick; Richard A. Walton","Mixed-Metal Assemblies Containing Multiply Bonded Dirhenium Species Linked through Thiocyanate- and Cyanide-Containing Bridging Units","Inorganic Chemistry","2001","40","","5682","5690","10.1021/ic010442r","","","0.71073","MO-Kα","","","0.043","","","","0.105","","","","","","0.977","","","","has coordinates","176467","2020-10-21","18:00:00","" "4320407","12.8865","0.0001","19.4144","0.0004","24.9646","0.0004","90","","90","","90","","6245.74","0.17","173","","173","","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C66 H57 Cl5 N4 O P4 Re2 -","- C66 H57 Cl5 N4 O P4 Re2 -","- C264 H228 Cl20 N16 O4 P16 Re8 -","4","1","","Shan-Ming Kuang; Phillip E. Fanwick; Richard A. Walton","Mixed-Metal Assemblies Containing Multiply Bonded Dirhenium Species Linked through Thiocyanate- and Cyanide-Containing Bridging Units","Inorganic Chemistry","2001","40","","5682","5690","10.1021/ic010442r","","","0.71073","MO-Kα","","","0.038","","","","0.084","","","","","","1.037","","","","has coordinates","179307","2020-10-21","18:00:00","" "4320408","22.795","0.005","15.442","0.003","18.095","0.004","90","","90","","90","","6369","2","293","2","293","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C63 H53 Cl3 N4 P4 Re2 -","- C63 H52 Cl3 N4 P4 Re2 -","- C252 H208 Cl12 N16 P16 Re8 -","4","1","","Shan-Ming Kuang; Phillip E. Fanwick; Richard A. Walton","Mixed-Metal Assemblies Containing Multiply Bonded Dirhenium Species Linked through Thiocyanate- and Cyanide-Containing Bridging Units","Inorganic Chemistry","2001","40","","5682","5690","10.1021/ic010442r","","","0.71073","MoKα","","0.143","0.0678","","0.2386","0.1806","","","","1.031","1.048","1.048","","","","","has coordinates","179307","2020-10-21","18:00:00","" "4320409","14.3659","0.0003","28.2054","0.001","17.5348","0.0006","90","","100.541","0.0019","90","","6985.1","0.4","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","C69H55Cl8N7P4Re2","","","- C67 H53 Cl2 N7 P2 Re2 -","- C69 H55 Cl8 N7 P4 Re2 -","- C276 H220 Cl32 N28 P16 Re8 -","4","1","","Shan-Ming Kuang; Phillip E. Fanwick; Richard A. Walton","Mixed-Metal Assemblies Containing Multiply Bonded Dirhenium Species Linked through Thiocyanate- and Cyanide-Containing Bridging Units","Inorganic Chemistry","2001","40","","5682","5690","10.1021/ic010442r","","","0.71073","MoKα","","0.1075","0.0585","","","0.13","0.1496","","","","","","1.035","","","","has coordinates,has disorder","179307","2020-10-21","18:00:00","" "4320410","12.711","0.0005","17.1115","0.0008","20.5011","0.001","94.886","0.003","104.735","0.004","91.92","0.003","4289.7","0.3","173","","173","","","","","","","","","6","P -1","-P 1","2","","","","- C73 H79 N17 O5 P4 Re2 -","- C73 H79 N17 O5 P4 Re2 -","- C146 H158 N34 O10 P8 Re4 -","2","1","","Shan-Ming Kuang; Phillip E. Fanwick; Richard A. Walton","Mixed-Metal Assemblies Containing Multiply Bonded Dirhenium Species Linked through Thiocyanate- and Cyanide-Containing Bridging Units","Inorganic Chemistry","2001","40","","5682","5690","10.1021/ic010442r","","","0.71073","MO-Kα","","","0.059","","","","0.151","","","","","","1.048","","","","has coordinates","179307","2020-10-21","18:00:00","" "4320411","14.0432","0.0013","8.8035","0.001","16.4069","0.0018","90","","90","","90","","2028.4","0.4","223","2","223","2","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- C24 H29 P -","- C24 H29 P -","- C96 H116 P4 -","4","1","","Jun Ho Shin; Brian M. Bridgewater; David G. Churchill; Gerard Parkin","Synthesis and Structural Characterization of PhP[(C5Me4)2], a Monodentate Chiral Phosphine Derived from Intramolecular C-C Coupling of Tetramethylcyclopentadienyl Groups: An Evaluation of Steric and Electronic Properties","Inorganic Chemistry","2001","40","","5626","5635","10.1021/ic010443j","","","0.71073","MoKα","","0.0902","0.0521","","","0.0952","0.1051","","","","","","1.087","","","","has coordinates","179307","2020-10-21","18:00:00","" "4320412","16.0224","0.0015","7.3908","0.0007","19.1814","0.0017","90","","112.274","0.002","90","","2101.9","0.3","238","2","238","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H29 P S -","- C24 H29 P S -","- C96 H116 P4 S4 -","4","1","","Jun Ho Shin; Brian M. Bridgewater; David G. Churchill; Gerard Parkin","Synthesis and Structural Characterization of PhP[(C5Me4)2], a Monodentate Chiral Phosphine Derived from Intramolecular C-C Coupling of Tetramethylcyclopentadienyl Groups: An Evaluation of Steric and Electronic Properties","Inorganic Chemistry","2001","40","","5626","5635","10.1021/ic010443j","","","0.71073","MoKα","","0.0523","0.0393","","","0.1144","0.1216","","","","","","1.053","","","","has coordinates","179307","2020-10-21","18:00:00","" "4320413","16.25","0.004","7.5028","0.0019","19.078","0.004","90","","111.953","0.005","90","","2157.3","0.9","238","2","238","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H29 P Se -","- C24 H29 P Se -","- C96 H116 P4 Se4 -","4","1","","Jun Ho Shin; Brian M. Bridgewater; David G. Churchill; Gerard Parkin","Synthesis and Structural Characterization of PhP[(C5Me4)2], a Monodentate Chiral Phosphine Derived from Intramolecular C-C Coupling of Tetramethylcyclopentadienyl Groups: An Evaluation of Steric and Electronic Properties","Inorganic Chemistry","2001","40","","5626","5635","10.1021/ic010443j","","","0.71073","MoKα","","0.0809","0.043","","","0.0941","0.1072","","","","","","1.093","","","","has coordinates","179307","2020-10-21","18:00:00","" "4320414","12.236","0.012","14.601","0.015","16.572","0.016","90","","99.93","0.02","90","","2916","5","233","2","233","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C34 H44 Cl4 Mo P -","- C34 H44 Cl4 Mo P -","- C136 H176 Cl16 Mo4 P4 -","4","1","","Jun Ho Shin; Brian M. Bridgewater; David G. Churchill; Gerard Parkin","Synthesis and Structural Characterization of PhP[(C5Me4)2], a Monodentate Chiral Phosphine Derived from Intramolecular C-C Coupling of Tetramethylcyclopentadienyl Groups: An Evaluation of Steric and Electronic Properties","Inorganic Chemistry","2001","40","","5626","5635","10.1021/ic010443j","","","0.71073","MoKα","","0.1916","0.0646","","","0.1278","0.1596","","","","","","1.015","","","","has coordinates","179307","2020-10-21","18:00:00","" "4320415","9.9235","0.0016","17.206","0.003","21.312","0.004","104.329","0.003","99.53","0.003","100.223","0.004","3384.9","1","238","2","238","2","","","","","","","","5","P -1","-P 1","2","","","","- C34 H44 Cl4 P Ta -","- C34 H44 Cl4 P Ta -","- C136 H176 Cl16 P4 Ta4 -","4","2","","Jun Ho Shin; Brian M. Bridgewater; David G. Churchill; Gerard Parkin","Synthesis and Structural Characterization of PhP[(C5Me4)2], a Monodentate Chiral Phosphine Derived from Intramolecular C-C Coupling of Tetramethylcyclopentadienyl Groups: An Evaluation of Steric and Electronic Properties","Inorganic Chemistry","2001","40","","5626","5635","10.1021/ic010443j","","","0.71073","MoKα","","0.0544","0.0317","","","0.0676","0.0731","","","","","","1.016","","","","has coordinates","179307","2020-10-21","18:00:00","" "4320416","11.9668","0.0018","13.8053","0.0019","14.918","0.002","92.172","0.004","102.033","0.003","113.022","0.002","2198.8","0.5","233","2","233","2","","","","","","","","6","P -1","-P 1","2","","","","- C49 H58 Cl Ir O P2 -","- C49 H58 Cl Ir O P2 -","- C98 H116 Cl2 Ir2 O2 P4 -","2","1","","Jun Ho Shin; Brian M. Bridgewater; David G. Churchill; Gerard Parkin","Synthesis and Structural Characterization of PhP[(C5Me4)2], a Monodentate Chiral Phosphine Derived from Intramolecular C-C Coupling of Tetramethylcyclopentadienyl Groups: An Evaluation of Steric and Electronic Properties","Inorganic Chemistry","2001","40","","5626","5635","10.1021/ic010443j","","","0.71073","MoKα","","0.1162","0.0549","","","0.0946","0.1091","","","","","","1.022","","","","has coordinates,has disorder","179307","2020-10-21","18:00:00","" "4320417","7.1664","0.0013","9.0998","0.0016","10.08","0.002","75.803","0.004","84.522","0.003","83.91","0.004","632","0.2","233","2","233","2","","","","","","","","4","P 1","P 1","1","","","","- C12 H17 P S -","- C12 H17 P S -","- C24 H34 P2 S2 -","2","2","","Jun Ho Shin; Brian M. Bridgewater; David G. Churchill; Gerard Parkin","Synthesis and Structural Characterization of PhP[(C5Me4)2], a Monodentate Chiral Phosphine Derived from Intramolecular C-C Coupling of Tetramethylcyclopentadienyl Groups: An Evaluation of Steric and Electronic Properties","Inorganic Chemistry","2001","40","","5626","5635","10.1021/ic010443j","","","0.71073","MoKα","","0.078","0.0486","","","0.0954","0.105","","","","","","1.045","","","","has coordinates","179307","2020-10-21","18:00:00","" "4320418","9.244","0.005","14.891","0.009","9.648","0.005","90","","100.879","0.011","90","","1304.2","1.3","233","2","233","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C25 H34 Cl Ir O P2 -","- C25 H34 Cl Ir O P2 -","- C50 H68 Cl2 Ir2 O2 P4 -","2","1","","Jun Ho Shin; Brian M. Bridgewater; David G. Churchill; Gerard Parkin","Synthesis and Structural Characterization of PhP[(C5Me4)2], a Monodentate Chiral Phosphine Derived from Intramolecular C-C Coupling of Tetramethylcyclopentadienyl Groups: An Evaluation of Steric and Electronic Properties","Inorganic Chemistry","2001","40","","5626","5635","10.1021/ic010443j","","","0.71073","MoKα","","0.0381","0.0364","","","0.0991","0.1003","","","","","","1.095","","","","has coordinates,has disorder","179307","2020-10-21","18:00:00","" "4320419","9.1715","0.0006","14.7803","0.001","9.7107","0.0006","90","","101.541","0.001","90","","1289.74","0.15","233","2","233","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C26 H37 Ir O P2 -","- C26 H37 Ir O P2 -","- C52 H74 Ir2 O2 P4 -","2","1","","Jun Ho Shin; Brian M. Bridgewater; David G. Churchill; Gerard Parkin","Synthesis and Structural Characterization of PhP[(C5Me4)2], a Monodentate Chiral Phosphine Derived from Intramolecular C-C Coupling of Tetramethylcyclopentadienyl Groups: An Evaluation of Steric and Electronic Properties","Inorganic Chemistry","2001","40","","5626","5635","10.1021/ic010443j","","","0.71073","MoKα","","0.0224","0.021","","","0.0534","0.0541","","","","","","1.027","","","","has coordinates","179307","2020-10-21","18:00:00","" "4320420","9.8883","0.0004","13.9564","0.0007","14.3346","0.0007","90","","90","","90","","1978.25","0.16","233","2","233","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C20 H29 Cl Ir P -","- C20 H29 Cl Ir P -","- C80 H116 Cl4 Ir4 P4 -","4","1","","Jun Ho Shin; Brian M. Bridgewater; David G. Churchill; Gerard Parkin","Synthesis and Structural Characterization of PhP[(C5Me4)2], a Monodentate Chiral Phosphine Derived from Intramolecular C-C Coupling of Tetramethylcyclopentadienyl Groups: An Evaluation of Steric and Electronic Properties","Inorganic Chemistry","2001","40","","5626","5635","10.1021/ic010443j","","","0.71073","MoKα","","0.0241","0.0225","","","0.0538","0.0545","","","","","","1.044","","","","has coordinates","179307","2020-10-21","18:00:00","" "4320421","9.2614","0.0018","11.872","0.002","20.943","0.004","90","","90","","90","","2302.7","0.7","233","2","233","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C22 H31 Cl N P Pd -","- C22 H31 Cl N P Pd -","- C88 H124 Cl4 N4 P4 Pd4 -","4","1","","Jun Ho Shin; Brian M. Bridgewater; David G. Churchill; Gerard Parkin","Synthesis and Structural Characterization of PhP[(C5Me4)2], a Monodentate Chiral Phosphine Derived from Intramolecular C-C Coupling of Tetramethylcyclopentadienyl Groups: An Evaluation of Steric and Electronic Properties","Inorganic Chemistry","2001","40","","5626","5635","10.1021/ic010443j","","","0.71073","MoKα","","0.0169","0.0165","","","0.0438","0.0442","","","","","","1.039","","","","has coordinates","179307","2020-10-21","18:00:00","" "4320422","6.515","0.003","11.386","0.005","11.817","0.004","90","","90","","90","","876.6","0.6","238","2","238","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C6 H12 O4 S -","- C6 H12 O4 S -","- C24 H48 O16 S4 -","4","1","","Jun Ho Shin; Brian M. Bridgewater; David G. Churchill; Gerard Parkin","Synthesis and Structural Characterization of PhP[(C5Me4)2], a Monodentate Chiral Phosphine Derived from Intramolecular C-C Coupling of Tetramethylcyclopentadienyl Groups: An Evaluation of Steric and Electronic Properties","Inorganic Chemistry","2001","40","","5626","5635","10.1021/ic010443j","","","0.71073","MoKα","","0.0494","0.0346","","","0.0736","0.0778","","","","","","1.05","","","","has coordinates","201982","2020-10-21","18:00:00","" "4320423","6.392","0.007","7.497","0.008","12.274","0.012","90","","100.712","0.019","90","","577.9","1","233","2","233","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C12 H17 O P -","- C12 H17 O P -","- C24 H34 O2 P2 -","2","1","","Jun Ho Shin; Brian M. Bridgewater; David G. Churchill; Gerard Parkin","Synthesis and Structural Characterization of PhP[(C5Me4)2], a Monodentate Chiral Phosphine Derived from Intramolecular C-C Coupling of Tetramethylcyclopentadienyl Groups: An Evaluation of Steric and Electronic Properties","Inorganic Chemistry","2001","40","","5626","5635","10.1021/ic010443j","","","0.71073","MoKα","","0.0949","0.0518","","","0.0885","0.0985","","","","","","1.023","","","","has coordinates","201982","2020-10-21","18:00:00","" "4320424","20.7685","0.0003","14.2301","0.0003","16.979","0.0004","90","","90","","90","","5017.94","0.17","293","2","293","2","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C24 H36 N2 O4 Ti -","- C24 H36 N2 O4 Ti -","- C192 H288 N16 O32 Ti8 -","8","0.5","","Jaume Balsells; Patrick J. Carroll; Patrick J. Walsh","Achiral Tetrahydrosalen Ligands for the Synthesis of C2-Symmetric Titanium Complexes: A Structure and Diastereoselectivity Study","Inorganic Chemistry","2001","40","","5568","5574","10.1021/ic010456x","","","0.71069","MoKα","","0.0323","0.0315","","0.0791","0.0784","","","","1.053","1.055","1.055","","","","","has coordinates","179307","2020-10-21","18:00:00","" "4320425","14.5777","0.0002","10.6529","0.0001","26.2556","0.0002","90","","93.124","0.001","90","","4071.3","0.07","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C40 H68 N2 O4 Ti -","- C40 H68 N2 O4 Ti -","- C160 H272 N8 O16 Ti4 -","4","1","","Jaume Balsells; Patrick J. Carroll; Patrick J. Walsh","Achiral Tetrahydrosalen Ligands for the Synthesis of C2-Symmetric Titanium Complexes: A Structure and Diastereoselectivity Study","Inorganic Chemistry","2001","40","","5568","5574","10.1021/ic010456x","","","0.71069","MoKα","","0.0805","0.0713","","0.1654","0.1598","","","","1.151","1.172","1.172","","","","","has coordinates","179307","2020-10-21","18:00:00","" "4320426","9.142","0.0018","22.367","0.005","9.0406","0.0018","90","","117.08","0.03","90","","1646","0.7","173","2","173","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C13 H31 N3 S -","- C13 H31 N3 S -","- C52 H124 N12 S4 -","4","1","","Bernhard Walfort; Angela P. Leedham; Christopher A. Russell; Dietmar Stalke","Triimidosulfonic Acid and Organometallic Triimidosulfonates: S+N- versus SN Bonding","Inorganic Chemistry","2001","40","","5668","5674","10.1021/ic0105009","","","0.71073","MoKα","","0.0274","0.026","","","0.068","0.0687","","","","","","1.093","","","","has coordinates","201982","2020-10-21","18:00:00","" "4320427","10.024","0.002","18.085","0.004","16.946","0.003","90","","94.53","0.03","90","","3062.4","1.1","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C28 H48 Li N3 O2 S -","- C28 H48 Li N3 O2 S -","- C112 H192 Li4 N12 O8 S4 -","4","1","","Bernhard Walfort; Angela P. Leedham; Christopher A. Russell; Dietmar Stalke","Triimidosulfonic Acid and Organometallic Triimidosulfonates: S+N- versus SN Bonding","Inorganic Chemistry","2001","40","","5668","5674","10.1021/ic0105009","","","0.71073","MoKα","","0.0929","0.0587","","","0.1525","0.1674","","","","","","0.929","","","","has coordinates,has disorder","179307","2020-10-21","18:00:00","" "4320428","10.642","0.002","16.447","0.003","23.441","0.005","90","0.03","92.39","0.03","90","0.03","4099.3","1.4","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H36 Al N3 S -","- C15 H36 Al N3 S -","- C120 H288 Al8 N24 S8 -","8","2","","Bernhard Walfort; Angela P. Leedham; Christopher A. Russell; Dietmar Stalke","Triimidosulfonic Acid and Organometallic Triimidosulfonates: S+N- versus SN Bonding","Inorganic Chemistry","2001","40","","5668","5674","10.1021/ic0105009","","","0.71073","MoKα","","0.074","0.0357","","","0.0809","0.091","","","","","","0.847","","","","has coordinates,has disorder","179307","2020-10-21","18:00:00","" "4320429","17.904","0.004","8.7848","0.0018","21.204","0.004","90","","98.4","0.03","90","","3299.3","1.2","173","2","173","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C26 H60 N6 S2 Zn -","- C26 H60 N6 S2 Zn -","- C104 H240 N24 S8 Zn4 -","4","0.5","","Bernhard Walfort; Angela P. Leedham; Christopher A. Russell; Dietmar Stalke","Triimidosulfonic Acid and Organometallic Triimidosulfonates: S+N- versus SN Bonding","Inorganic Chemistry","2001","40","","5668","5674","10.1021/ic0105009","","","0.71073","MoKα","","0.061","0.0322","","","0.0653","0.0711","","","","","","0.839","","","","has coordinates,has disorder","179307","2020-10-21","18:00:00","" "4320430","10.765","0.0007","17.6396","0.0012","15.3456","0.0011","90","","93.372","0.001","90","","2908.9","0.3","173","2","173","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C23 H52 Li N3 O2 S Zn -","- C23 H52 Li N3 O2 S Zn -","- C92 H208 Li4 N12 O8 S4 Zn4 -","4","1","","Bernhard Walfort; Angela P. Leedham; Christopher A. Russell; Dietmar Stalke","Triimidosulfonic Acid and Organometallic Triimidosulfonates: S+N- versus SN Bonding","Inorganic Chemistry","2001","40","","5668","5674","10.1021/ic0105009","","","0.71073","MoKα","","0.0504","0.041","","","0.1025","0.1074","","","","","","1.043","","","","has coordinates,has disorder","179307","2020-10-21","18:00:00","" "4320431","15.813","0.004","17.804","0.005","40.935","0.006","90","","90","","90","","11525","5","213","2","213","2","","","","","","","synthesized","6","P b c a","-P 2ac 2ab","61","","Heptachloro-trimethylphosphine-di-rhenate(III,III), octachloro-di-rhenate(III,III), tetra-n-butylammonium salt, dichloromethane solvate","","- C72 H166 Cl26 N4 P2 Re6 -","- C72 H166 Cl26 N4 P2 Re5.9988 -","- C288 H664 Cl104 N16 P8 Re23.9952 -","4","0.5","","F. Albert Cotton; Evgeny V. Dikarev; Marina A. Petrukhina","Mixed Chloride/Phosphine Complexes of the Dirhenium Core. 8. Synthesis and Crystal Structure of the Quadruply Bonded Dirhenium(III) Anion [Re2Cl7(PMe3)]-","Inorganic Chemistry","2001","40","","5716","5718","10.1021/ic010504d","","","0.71073","MoKα","","0.0925","0.0678","","0.1597","0.1459","","","","1.148","1.197","1.197","","","","","has coordinates,has disorder","179307","2020-10-21","18:00:00","" "4320432","11.625","0.006","12.387","0.004","12.779","0.003","90","","92.09","0.03","90","","1838.9","1.2","213","2","213","2","","","","","","","synthesized","5","P 1 21/c 1","-P 2ybc","14","","Bis(trichloro-trimethylphosphine)-di-rhenium(III,III), monoclinic form","","- C6 H18 Cl6 P2 Re2 -","- C6 H18 Cl6 P2 Re2 -","- C24 H72 Cl24 P8 Re8 -","4","1","","F. Albert Cotton; Evgeny V. Dikarev; Marina A. Petrukhina","Mixed Chloride/Phosphine Complexes of the Dirhenium Core. 8. Synthesis and Crystal Structure of the Quadruply Bonded Dirhenium(III) Anion [Re2Cl7(PMe3)]-","Inorganic Chemistry","2001","40","","5716","5718","10.1021/ic010504d","","","0.71073","MoKα","","0.056","0.0498","","0.1121","0.1081","","","","1.202","1.222","1.222","","","","","has coordinates,has disorder","179307","2020-10-21","18:00:00","" "4320433","9.8492","0.0008","17.6284","0.0019","21.2737","0.0017","90","","102.918","0.006","90","","3600.2","0.6","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C34 H45 Cl2 N O2 P2 S -","- C34 H45 Cl2 N O2 P2 S -","- C136 H180 Cl8 N4 O8 P8 S4 -","4","1","","Maravanji S. Balakrishna; Rashmishree Panda; Joel T. Mague","New 10-Membered Inorganic Heterocyclic Diphosphanes, PhN(PX)2{(-OC6H2(tBu)2)(μ-S)((tBu)2C6H2O-)} (X = Cl, F). Synthesis and Transition Metal Complexes (Molybdenum(0), Ruthenium(II), Palladium(II), and Platinum(II)) of Heterocyclic Diphosphanes. Crystal and Molecular Structures of the Chloro Derivative, PhN(PCl)2{(-OC6H2(tBu)2)(μ-S)((tBu)2C6H2O-)}, and of a Molybdenum(0) Complex of the Fluoro Derivative, [Mo(CO)3{η3-PhN(PF)2{(-OC6H2(tBu)2)(μ-S)((tBu)2C6H2O-)}-κP,κP,κS}]","Inorganic Chemistry","2001","40","","5620","5625","10.1021/ic010518j","","","0.71073","MoKα","","0.1772","0.0516","","","0.1268","0.1585","","","","","","1","","","","has coordinates","179307","2020-10-21","18:00:00","" "4320434","11.7037","0.0007","12.2971","0.0005","16.5033","0.0008","102.382","0.004","98.894","0.005","114.284","0.004","2034.5","0.2","293","2","293","2","","","","","","","","8","P -1","-P 1","2","","","","- C37 H45 F2 Mo N O5 P2 S -","- C13 H5 F2 Mo N O5 P2 S -","- C26 H10 F4 Mo2 N2 O10 P4 S2 -","2","1","","Maravanji S. Balakrishna; Rashmishree Panda; Joel T. Mague","New 10-Membered Inorganic Heterocyclic Diphosphanes, PhN(PX)2{(-OC6H2(tBu)2)(μ-S)((tBu)2C6H2O-)} (X = Cl, F). Synthesis and Transition Metal Complexes (Molybdenum(0), Ruthenium(II), Palladium(II), and Platinum(II)) of Heterocyclic Diphosphanes. Crystal and Molecular Structures of the Chloro Derivative, PhN(PCl)2{(-OC6H2(tBu)2)(μ-S)((tBu)2C6H2O-)}, and of a Molybdenum(0) Complex of the Fluoro Derivative, [Mo(CO)3{η3-PhN(PF)2{(-OC6H2(tBu)2)(μ-S)((tBu)2C6H2O-)}-κP,κP,κS}]","Inorganic Chemistry","2001","40","","5620","5625","10.1021/ic010518j","","","0.71073","MoKα","","0.1109","0.042","","","0.109","0.127","","","","","","1.022","","","","has coordinates","179307","2020-10-21","18:00:00","" "4320435","20.047","0.003","17.143","0.003","16.276","0.003","90","","123.748","0.003","90","","4650.9","1.4","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","mu-1,5-dimethyl-3-(4,6-dimethyl-2-pyrimidinyl)-6-oxoverdazyl- bis(bis(1,1,1,3,3,3-hexafluoroacetylacetonato)manganese(II))","","- C30 H17 F24 Mn2 N6 O9 -","- C30 H17 F24 Mn2 N6 O9 -","- C120 H68 F96 Mn8 N24 O36 -","4","0.5","","Tosha M. Barclay; Robin G. Hicks; Martin T. Lemaire; Laurence K. Thompson","Synthesis, Structure, and Magnetism of Bimetallic Manganese or Nickel Complexes of a Bridging Verdazyl Radical","Inorganic Chemistry","2001","40","","5581","5584","10.1021/ic010542x","","","0.71073","MoKα","","0.1042","0.0673","","","0.2166","0.2557","","","","","","1.031","","","","has coordinates","179307","2020-10-21","18:00:00","" "4320436","10.233","0.002","25.952","0.007","14.021","0.003","90","","90","","90","","3723.5","1.5","298","","","","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C36 H44 Cl2 F6 N4 P2 -","- C36 H44 Cl2 F6 N4 P2 -","- C144 H176 Cl8 F24 N16 P8 -","4","1","","Kin-ya Akiba; Ryo Nadano; Wataru Satoh; Yohsuke Yamamoto; Shigeru Nagase; Zhongping Ou; Xiaoyu Tan; Karl M. Kadish","Synthesis, Structure, Electrochemistry, and Spectroelectrochemistry of Hypervalent Phosphorus(V) Octaethylporphyrins and Theoretical Analysis of the Nature of the PO Bond in P(OEP)(CH2CH3)(O)","Inorganic Chemistry","2001","40","","5553","5567","10.1021/ic010595e","","","0.7107","MoKα","","","0.0668","","","","0.1077","","","","","","1.352","","","","has coordinates","176467","2020-10-21","18:00:00","" "4320437","11.612","0.004","14.25","0.006","14.417","0.007","67.47","0.04","69.71","0.03","70.51","0.03","2010.5","1.6","298","","","","","","","","","","","6","P -1","-P 1","2","","","","- C40 H54 Cl N4 O6 P -","- C39.5 H50 Cl N4 O6 P -","- C79 H100 Cl2 N8 O12 P2 -","2","1","","Kin-ya Akiba; Ryo Nadano; Wataru Satoh; Yohsuke Yamamoto; Shigeru Nagase; Zhongping Ou; Xiaoyu Tan; Karl M. Kadish","Synthesis, Structure, Electrochemistry, and Spectroelectrochemistry of Hypervalent Phosphorus(V) Octaethylporphyrins and Theoretical Analysis of the Nature of the PO Bond in P(OEP)(CH2CH3)(O)","Inorganic Chemistry","2001","40","","5553","5567","10.1021/ic010595e","","","0.7107","MoKα","","","0.0715","","","","0.1149","","","","","","1.263","","","","has coordinates","176467","2020-10-21","18:00:00","" "4320438","12.175","0.008","12.367","0.005","16.466","0.005","71.44","0.03","83.92","0.04","69.58","0.04","2203","2","298","","","","","","","","","","","7","P -1","-P 1","2","","","","- C43 H52 Cl2 F6 N4 O P2 -","- C43 H50 Cl2 F6 N4 O P2 -","- C86 H100 Cl4 F12 N8 O2 P4 -","2","1","","Kin-ya Akiba; Ryo Nadano; Wataru Satoh; Yohsuke Yamamoto; Shigeru Nagase; Zhongping Ou; Xiaoyu Tan; Karl M. Kadish","Synthesis, Structure, Electrochemistry, and Spectroelectrochemistry of Hypervalent Phosphorus(V) Octaethylporphyrins and Theoretical Analysis of the Nature of the PO Bond in P(OEP)(CH2CH3)(O)","Inorganic Chemistry","2001","40","","5553","5567","10.1021/ic010595e","","","0.7107","MoKα","","","0.0714","","","","0.1205","","","","","","1.396","","","","has coordinates","176467","2020-10-21","18:00:00","" "4320439","11.626","0.002","12.863","0.003","13.373","0.003","110.06","0.02","105.6","0.02","95.09","0.02","1772.8","0.8","298","","","","","","","","","","","7","P -1","-P 1","2","","","","- C36 H45 Cl F N4 O5 P -","- C36 H45 Cl F N4 O5 P -","- C72 H90 Cl2 F2 N8 O10 P2 -","2","1","","Kin-ya Akiba; Ryo Nadano; Wataru Satoh; Yohsuke Yamamoto; Shigeru Nagase; Zhongping Ou; Xiaoyu Tan; Karl M. Kadish","Synthesis, Structure, Electrochemistry, and Spectroelectrochemistry of Hypervalent Phosphorus(V) Octaethylporphyrins and Theoretical Analysis of the Nature of the PO Bond in P(OEP)(CH2CH3)(O)","Inorganic Chemistry","2001","40","","5553","5567","10.1021/ic010595e","","","1.5418","CuKα","","","0.0679","","","","0.1107","","","","","","1.342","","","","has coordinates","176467","2020-10-21","18:00:00","" "4320440","10.99","0.003","15.57","0.004","10.251","0.003","90","","98.05","0.03","90","","1736.8","0.8","298","","","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C38 H51 N4 O2 P -","- C38 H51 N4 O2 P -","- C76 H102 N8 O4 P2 -","2","1","","Kin-ya Akiba; Ryo Nadano; Wataru Satoh; Yohsuke Yamamoto; Shigeru Nagase; Zhongping Ou; Xiaoyu Tan; Karl M. Kadish","Synthesis, Structure, Electrochemistry, and Spectroelectrochemistry of Hypervalent Phosphorus(V) Octaethylporphyrins and Theoretical Analysis of the Nature of the PO Bond in P(OEP)(CH2CH3)(O)","Inorganic Chemistry","2001","40","","5553","5567","10.1021/ic010595e","","","0.7107","MoKα","","","0.0737","","","","0.1103","","","","","","1.156","","","","has coordinates","176467","2020-10-21","18:00:00","" "4320441","21.323","0.004","12.523","0.002","16.406","0.004","90","","90","","90","","4380.9","1.5","298","","","","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C45 H56 Cl N4 O5 P -","- C45 H56 Cl N4 O5 P -","- C180 H224 Cl4 N16 O20 P4 -","4","1","","Kin-ya Akiba; Ryo Nadano; Wataru Satoh; Yohsuke Yamamoto; Shigeru Nagase; Zhongping Ou; Xiaoyu Tan; Karl M. Kadish","Synthesis, Structure, Electrochemistry, and Spectroelectrochemistry of Hypervalent Phosphorus(V) Octaethylporphyrins and Theoretical Analysis of the Nature of the PO Bond in P(OEP)(CH2CH3)(O)","Inorganic Chemistry","2001","40","","5553","5567","10.1021/ic010595e","","","1.5418","CuKα","","","0.0679","","","","0.0947","","","","","","1.07","","","","has coordinates","176467","2020-10-21","18:00:00","" "4320442","9.845","0.006","10.946","0.008","21.67","0.01","87.84","0.05","85.58","0.05","63.32","0.05","2080","2","298","","","","","","","","","","","6","P -1","-P 1","2","","","","- C40 H55 Cl N5 O4 P -","- C41 H44 Cl N6 O4 P -","- C82 H88 Cl2 N12 O8 P2 -","2","1","","Kin-ya Akiba; Ryo Nadano; Wataru Satoh; Yohsuke Yamamoto; Shigeru Nagase; Zhongping Ou; Xiaoyu Tan; Karl M. Kadish","Synthesis, Structure, Electrochemistry, and Spectroelectrochemistry of Hypervalent Phosphorus(V) Octaethylporphyrins and Theoretical Analysis of the Nature of the PO Bond in P(OEP)(CH2CH3)(O)","Inorganic Chemistry","2001","40","","5553","5567","10.1021/ic010595e","","","0.7107","MoKα","","","0.1307","","","","0.2012","","","","","","1.957","","","","has coordinates","176467","2020-10-21","18:00:00","" "4320443","14.942","0.004","26.923","0.008","9.976","0.003","90","","90","","90","","4013","2","298","","","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C38 H49 Cl2 F7 N4 P2 -","- C38 H42 Cl2 F7 N4 P2 -","- C152 H168 Cl8 F28 N16 P8 -","4","1","","Kin-ya Akiba; Ryo Nadano; Wataru Satoh; Yohsuke Yamamoto; Shigeru Nagase; Zhongping Ou; Xiaoyu Tan; Karl M. Kadish","Synthesis, Structure, Electrochemistry, and Spectroelectrochemistry of Hypervalent Phosphorus(V) Octaethylporphyrins and Theoretical Analysis of the Nature of the PO Bond in P(OEP)(CH2CH3)(O)","Inorganic Chemistry","2001","40","","5553","5567","10.1021/ic010595e","","","1.5418","CuKα","","","0.0959","","","","0.1386","","","","","","1.286","","","","has coordinates","176467","2020-10-21","18:00:00","" "4320444","28.826","0.007","15.867","0.003","18.145","0.004","90","","98.69","0.02","90","","8204","3","298","","","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C42 H50 F7 N4 P2 -","- C42 H49 F7 N4 P2 -","- C336 H392 F56 N32 P16 -","8","1","","Kin-ya Akiba; Ryo Nadano; Wataru Satoh; Yohsuke Yamamoto; Shigeru Nagase; Zhongping Ou; Xiaoyu Tan; Karl M. Kadish","Synthesis, Structure, Electrochemistry, and Spectroelectrochemistry of Hypervalent Phosphorus(V) Octaethylporphyrins and Theoretical Analysis of the Nature of the PO Bond in P(OEP)(CH2CH3)(O)","Inorganic Chemistry","2001","40","","5553","5567","10.1021/ic010595e","","","1.5418","CuKα","","","0.0669","","","","0.1037","","","","","","1.02","","","","has coordinates","176467","2020-10-21","18:00:00","" "4320445","11.584","0.002","18.202","0.003","9.6","0.002","90","","100.94","0.01","90","","1987.4","0.6","298","","","","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C39 H52 Cl2 F6 N4 P2 -","- C72 F7.2 N8 P2 -","- C144 F14.4 N16 P4 -","2","0.5","","Kin-ya Akiba; Ryo Nadano; Wataru Satoh; Yohsuke Yamamoto; Shigeru Nagase; Zhongping Ou; Xiaoyu Tan; Karl M. Kadish","Synthesis, Structure, Electrochemistry, and Spectroelectrochemistry of Hypervalent Phosphorus(V) Octaethylporphyrins and Theoretical Analysis of the Nature of the PO Bond in P(OEP)(CH2CH3)(O)","Inorganic Chemistry","2001","40","","5553","5567","10.1021/ic010595e","","","0.7107","MoKα","","","0.0845","","","","0.1328","","","","","","1.434","","","","has coordinates","176467","2020-10-21","18:00:00","" "4320446","9.769","0.004","10.863","0.005","21.26","0.01","87.73","0.04","84.59","0.04","63.3","0.03","2006.6","1.6","298","","","","","","","","","","","5","P -1","-P 1","2","","","","- C40 H54 F6 N4 P2 -","- C40 H50 F6 N4 P2 -","- C80 H100 F12 N8 P4 -","2","1","","Kin-ya Akiba; Ryo Nadano; Wataru Satoh; Yohsuke Yamamoto; Shigeru Nagase; Zhongping Ou; Xiaoyu Tan; Karl M. Kadish","Synthesis, Structure, Electrochemistry, and Spectroelectrochemistry of Hypervalent Phosphorus(V) Octaethylporphyrins and Theoretical Analysis of the Nature of the PO Bond in P(OEP)(CH2CH3)(O)","Inorganic Chemistry","2001","40","","5553","5567","10.1021/ic010595e","","","0.7107","MoKα","","","0.0583","","","","0.099","","","","","","1.387","","","","has coordinates","176467","2020-10-21","18:00:00","" "4320447","10.9","0.003","16.099","0.002","21.424","0.003","90","0.01","92.57","0.02","90","0.01","3755.7","1.3","296.2","","296.2","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C32 H36 Cu F8 N6 O6 W2 -","- C31 H35 Cu0.5 F8 N5 O6 W2 -","- C124 H140 Cu2 F32 N20 O24 W8 -","4","0.5","","Margaret E. Welk; Alexander J. Norquist; Charlotte L. Stern; Kenneth R. Poeppelmeier","The Ordered [WO2F4]2- Anion","Inorganic Chemistry","2001","40","","5479","5480","10.1021/ic015554x","","","0.7107","MoKα","","0.0201","0.02","","0.02","","0.02","","","1.328","","","1.33","","","","has coordinates","176467","2020-10-21","18:00:00","" "4320448","6.9001","0.0009","8.0471","0.0001","16.227","0.002","90","","90","","90","","901.02","0.16","291","1","","","","","","","","","Single crystals were obtained from an aqueous/isopropanol solution","5","P n m a","-P 2ac 2n","62","","","","- C5 H7 Mo N O7 -","- C5 H7 Mo N O7 -","- C20 H28 Mo4 N4 O28 -","4","0.5","","Fabrício R. Sensato; Quezia B. Cass; Elson Longo; Julio Zukerman-Schpector; Rogerio Custodio; Juan Andrés; Marcelo Zaldini Hernandes; Ricardo L. Longo","Molecular Structure of the Molybdenum Oxo-Diperoxo Compound MoO(O2)2(OPy)(H2O): A Computational and X-ray Study","Inorganic Chemistry","2001","40","","6022","6025","10.1021/ic010020h","","","","","","","0.0285","","","","","","","","","","","","","","has coordinates","179307","2020-10-21","18:00:00","" "4320449","12.0087","0.0002","15.715","0.0003","21.8718","0.0002","90","","101.338","0.001","90","","4047.02","0.11","173","2","173","2","","","","","","","Changcheng Zhu","6","P 1 2/c 1","-P 2yc","13","","","","- C28 H36 As4 Mo12 Na3 O62 -","- C28 H36 As4 Mo12 Na3 O62 -","- C56 H72 As8 Mo24 Na6 O124 -","2","0.5","","Bret J. S. Johnson; Rick C. Schroden; Changcheng Zhu; Andreas Stein","Synthesis and Characterization of 2D and 3D Structures from Organic Derivatives of Polyoxometalate Clusters: Role of Organic Moiety, Counterion, and Solvent","Inorganic Chemistry","2001","40","","5972","5978","10.1021/ic010045g","","","0.71073","MoKα","","0.1066","0.0609","","","0.1385","0.1554","","","","","","1.008","","","","has coordinates","183806","2020-10-21","18:00:00","" "4320450","17.8024","0.0005","17.8024","0.0005","11.8281","0.0004","90","","90","","90","","3748.6","0.2","173","2","173","2","","","","","","","Changcheng Zhu","7","I -4","I -4","82","","","","- C24 H40 As4 Mo12 N4 Na4 O70 -","- C24 H40 As4 Mo12 N4 Na4 O70 -","- C48 H80 As8 Mo24 N8 Na8 O140 -","2","0.25","","Bret J. S. Johnson; Rick C. Schroden; Changcheng Zhu; Andreas Stein","Synthesis and Characterization of 2D and 3D Structures from Organic Derivatives of Polyoxometalate Clusters: Role of Organic Moiety, Counterion, and Solvent","Inorganic Chemistry","2001","40","","5972","5978","10.1021/ic010045g","","","0.71073","MoKα","","0.0305","0.0288","","","0.0649","0.0668","","","","","","1.268","","","","has coordinates","176467","2020-10-21","18:00:00","" "4320451","28.45","0.003","28.45","0.003","11.645","0.002","90","","90","","90","","9425","2","293","2","293","2","","","","","","","","5","I 41/a m d :2","-I 4bd 2","141","00350a","","","- C24 H20 As4 Mo12 O50 -","- C24 H20 As4 Mo12 O50 -","- C96 H80 As16 Mo48 O200 -","4","0.125","","Bret J. S. Johnson; Rick C. Schroden; Changcheng Zhu; Andreas Stein","Synthesis and Characterization of 2D and 3D Structures from Organic Derivatives of Polyoxometalate Clusters: Role of Organic Moiety, Counterion, and Solvent","Inorganic Chemistry","2001","40","","5972","5978","10.1021/ic010045g","","","0.71073","MoKα","","0.0501","0.0382","","","0.1011","0.1077","","","","","","1.033","","","","has coordinates","179307","2020-10-21","18:00:00","" "4320452","20.611","0.0005","8.5736","0.0001","9.5455","0.0002","90","","100.141","0.001","90","","1660.44","0.06","100","1","100","1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C12 H6 F12 O4 Pt -","- C12 H6 F12 O4 Pt -","- C48 H24 F48 O16 Pt4 -","4","0.5","","Fei Wang; Xiaosong Wu; A. Alan Pinkerton; Poomani Kumaradhas; Douglas C. Neckers","Photoreaction of Platinum(II) β-Diketonate Complexes with Olefins","Inorganic Chemistry","2001","40","","6000","6003","10.1021/ic0100774","","","0.71073","MoKα","","0.0262","0.0245","","","0.0635","0.0642","","","","","","1.078","","","","has coordinates","179307","2020-10-21","18:00:00","" "4320453","8.463","0.001","9.189","0.001","20.023","0.003","81.41","0.02","88.1","0.02","66.95","0.01","1416.2","0.3","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C23 H38 Cl2 Cu N6 O8 -","- C23 H38 Cl2 Cu N6 O8 -","- C46 H76 Cl4 Cu2 N12 O16 -","2","1","","Paul V. Bernhardt; Evan G. Moore; Mark J. Riley","Photoinduced Electron Transfer and Electronic Energy Transfer in Naphthyl-Appended Cyclams","Inorganic Chemistry","2001","40","","5799","5805","10.1021/ic0102586","","","0.71073","MoKα","","0.2675","0.0738","","","0.1628","0.241","","","","","","0.942","","","","has coordinates,has disorder","179307","2020-10-21","18:00:00","" "4320454","8.185","0.003","34.853","0.007","12.178","0.006","90","","97.81","0.02","90","","3442","2","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C27 H44 Cl2 Cu N8 O8 -","- C27 H44 Cl2 Cu N8 O8 -","- C108 H176 Cl8 Cu4 N32 O32 -","4","1","","Paul V. Bernhardt; Evan G. Moore; Mark J. Riley","Photoinduced Electron Transfer and Electronic Energy Transfer in Naphthyl-Appended Cyclams","Inorganic Chemistry","2001","40","","5799","5805","10.1021/ic0102586","","","0.71073","MoKα","","0.2139","0.0689","","","0.1624","0.2288","","","","","","0.981","","","","has coordinates,has disorder","179307","2020-10-21","18:00:00","" "4320455","8.542","0.004","29.042","0.005","12.166","0.004","90","","106.6","0.02","90","","2892.3","1.8","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C23 H38 Cl2 Cu N6 O9 -","- C23 H38 Cl2 Cu N6 O9 -","- C92 H152 Cl8 Cu4 N24 O36 -","4","1","","Paul V. Bernhardt; Evan G. Moore; Mark J. Riley","Photoinduced Electron Transfer and Electronic Energy Transfer in Naphthyl-Appended Cyclams","Inorganic Chemistry","2001","40","","5799","5805","10.1021/ic0102586","","","0.71073","MoKα","","0.1493","0.0591","","","0.1516","0.1934","","","","","","1.011","","","","has coordinates","179307","2020-10-21","18:00:00","" "4320456","9.324","0.002","13.329","0.0009","23.337","0.001","90","","90","","90","","2900.3","0.7","296","2","296","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C23 H36 Cl2 Cu N6 O8 -","- C23 H36 Cl2 Cu N6 O8 -","- C92 H144 Cl8 Cu4 N24 O32 -","4","1","","Paul V. Bernhardt; Evan G. Moore; Mark J. Riley","Photoinduced Electron Transfer and Electronic Energy Transfer in Naphthyl-Appended Cyclams","Inorganic Chemistry","2001","40","","5799","5805","10.1021/ic0102586","","","0.71073","MoKα","","0.0886","0.0482","","","0.1198","0.1413","","","","","","0.981","","","","has coordinates","179307","2020-10-21","18:00:00","" "4320457","9.9688","0.0011","12.6663","0.0013","16.7828","0.0017","71.756","0.002","80.519","0.002","84.567","0.002","1983","0.4","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C48 H24 Hg N8 -","- C48 H24 Hg N8 -","- C96 H48 Hg2 N16 -","2","1","","Ming-Cheng Wang; Long-Seen Sue; Bing-Chung Liau; Bao-Tsan Ko; Shanmugham Elango; Jyh-Horung Chen","Mercury Complexes of meso-Tetra-(p-cyanophenyl)porphyrin and N-methylporphyrin: meso- Tetra(p-cyanophenyl)porphyrinatomercury(II) and Chloro(N-methyl-meso- tetraphenylporphyrinato)mercury(II)","Inorganic Chemistry","2001","40","","6064","6068","10.1021/ic010275v","","","0.71073","MoKα","","0.0807","0.0474","","","0.1139","0.1322","","","","","","0.801","","","","has coordinates","179307","2020-10-21","18:00:00","" "4320458","12.6343","0.0009","13.3035","0.0009","13.9524","0.001","67.65","0.001","88.698","0.001","64.591","0.001","1931.3","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C46 H33 Cl3 Hg N4 -","- C46 H33 Cl3 Hg N4 -","- C92 H66 Cl6 Hg2 N8 -","2","1","","Ming-Cheng Wang; Long-Seen Sue; Bing-Chung Liau; Bao-Tsan Ko; Shanmugham Elango; Jyh-Horung Chen","Mercury Complexes of meso-Tetra-(p-cyanophenyl)porphyrin and N-methylporphyrin: meso- Tetra(p-cyanophenyl)porphyrinatomercury(II) and Chloro(N-methyl-meso- tetraphenylporphyrinato)mercury(II)","Inorganic Chemistry","2001","40","","6064","6068","10.1021/ic010275v","","","0.71073","MoKα","","0.0372","0.0354","","","0.1043","0.1064","","","","","","0.955","","","","has coordinates","179307","2020-10-21","18:00:00","" "4320459","28.1102","0.0011","8.4638","0.0003","31.2908","0.0012","90","","107.505","0.001","90","","7099.9","0.5","223","2","223","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C45 H28 F6 N5 P Ru -","- C45 H28 F6 N5 P Ru -","- C360 H224 F48 N40 P8 Ru8 -","8","2","","Céline Bonnefous; Abdellatif Chouai; Randolph P. Thummel","Cyclometalated Complexes of Ru(II) with 2-Aryl Derivatives of Quinoline and 1,10-Phenanthroline","Inorganic Chemistry","2001","40","","5851","5859","10.1021/ic0102844","","","0.71073","MoKα","","0.0461","0.0303","","","0.0728","0.0819","","","","","","1.045","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00","" "4320460","11.7235","0.001","14.5306","0.0012","14.5725","0.0012","75.536","0.001","85.511","0.002","79.812","0.001","2364.3","0.3","223","2","223","2","","","","","","","","8","P -1","-P 1","2","","","","- C56 H30 Cl D11 F6 N6 P Ru -","- C55.2 H37.4 Cl F6 N5.9 P Ru -","- C110.4 H74.8 Cl2 F12 N11.8 P2 Ru2 -","2","1","","Céline Bonnefous; Abdellatif Chouai; Randolph P. Thummel","Cyclometalated Complexes of Ru(II) with 2-Aryl Derivatives of Quinoline and 1,10-Phenanthroline","Inorganic Chemistry","2001","40","","5851","5859","10.1021/ic0102844","","","0.71073","MoKα","","0.0736","0.0581","","","0.1538","0.1753","","","","","","1.059","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00","" "4320461","8.6868","0.0019","17.428","0.005","9.1589","0.0017","90","","109.604","0.017","90","","1306.2","0.5","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C2 H9 Al3 N O13 P3 -","- C2 H9 Al3 N O13 P3 -","- C8 H36 Al12 N4 O52 P12 -","4","1","","Jiyang Li; Jihong Yu; Kaixue Wang; Guangshan Zhu; Ruren Xu","A Simulation Study on the Topotactic Transformations from Aluminophosphate AlPO4-21 to AlPO4-25","Inorganic Chemistry","2001","40","","5812","5817","10.1021/ic010292k","","","0.71073","MoKα","","0.0693","0.038","","","0.0806","0.0903","","","","","","0.877","","","","has coordinates","179307","2020-10-21","18:00:00","" "4320462","9.144","0.005","12.124","0.006","14.912","0.008","83.308","0.011","75.719","0.01","80.457","0.011","1575","1.4","170","2","170","2","","","","","","","","6","P -1","-P 1","2","","","","- C28 H24 Cr I N6 S2 -","- C28 H24 Cr I N6 S2 -","- C56 H48 Cr2 I2 N12 S4 -","2","1","","Brian J. Walter; C. Michael Elliott","Interaction of I- and I3- with a Redox-Stable Cr(III)-Based Structural Surrogate for Photo-Oxidized ""N3 Dye""","Inorganic Chemistry","2001","40","","5924","5927","10.1021/ic0103291","","","0.71073","MoKα","","0.1416","0.0791","","","0.1867","0.2171","","","","","","0.981","","","","has coordinates","179307","2020-10-21","18:00:00","" "4320463","8.433","0.003","10.292","0.003","16.54","0.005","95.209","0.007","100.844","0.006","103.526","0.006","1357.1","0.7","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C22 H16 Cr I3 N6 S2 -","- C22 H16 Cr I3 N6 S2 -","- C44 H32 Cr2 I6 N12 S4 -","2","1","","Brian J. Walter; C. Michael Elliott","Interaction of I- and I3- with a Redox-Stable Cr(III)-Based Structural Surrogate for Photo-Oxidized ""N3 Dye""","Inorganic Chemistry","2001","40","","5924","5927","10.1021/ic0103291","","","0.71073","MoKα","","0.2081","0.0475","","","0.09","0.1073","","","","","","0.592","","","","has coordinates","179307","2020-10-21","18:00:00","" "4320464","9.7021","0.0001","11.5985","0.0002","15.2967","0.0003","101.921","0.001","95.71","0.001","96.481","0.001","1660.04","0.05","180","2","180","2","","","","","","","","7","P -1","-P 1","2","","","","- C20 H45 Co2 F3 N6 O10 S -","- C20 H45 Co2 F3 N6 O10 S -","- C40 H90 Co4 F6 N12 O20 S2 -","2","1","","David A. Brown; W. Errington; W. K. Glass; W. Haase; T. J. Kemp; H. Nimir; S. M. Ostrovsky; R. Werner","Magnetic, Spectroscopic, and Structural Studies of Dicobalt Hydroxamates and Model Hydrolases","Inorganic Chemistry","2001","40","","5962","5971","10.1021/ic0103345","","","0.71073","MoKα","","0.0515","0.034","","0.079","0.0751","","","","0.905","1.039","1.039","","","","","has coordinates","179307","2020-10-21","18:00:00","" "4320465","11.0745","0.0006","13.654","0.0007","22.6864","0.0011","90","","94.47","","90","","3420","0.3","180","2","180","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C20 H46 Co2 F3 N7 O10 S -","- C20 H46 Co2 F3 N7 O10 S -","- C80 H184 Co8 F12 N28 O40 S4 -","4","1","","David A. Brown; W. Errington; W. K. Glass; W. Haase; T. J. Kemp; H. Nimir; S. M. Ostrovsky; R. Werner","Magnetic, Spectroscopic, and Structural Studies of Dicobalt Hydroxamates and Model Hydrolases","Inorganic Chemistry","2001","40","","5962","5971","10.1021/ic0103345","","","0.71073","MoKα","","0.0542","0.0394","","","0.0866","0.0966","","","","","","1.065","","","","has coordinates","179307","2020-10-21","18:00:00","" "4320466","10.4771","0.0005","11.4398","0.0006","14.9218","0.0007","77.148","0.001","81.757","0.001","71.299","0.001","1646.57","0.14","180","2","180","2","","","","","","","","7","P -1","-P 1","2","","","","- C19 H45 Co2 F3 N6 O10 S -","- C19 H45 Co2 F3 N6 O10 S -","- C38 H90 Co4 F6 N12 O20 S2 -","2","1","","David A. Brown; W. Errington; W. K. Glass; W. Haase; T. J. Kemp; H. Nimir; S. M. Ostrovsky; R. Werner","Magnetic, Spectroscopic, and Structural Studies of Dicobalt Hydroxamates and Model Hydrolases","Inorganic Chemistry","2001","40","","5962","5971","10.1021/ic0103345","","","0.71073","MoKα","","0.0648","0.0515","","","0.1218","0.1343","","","","","","1.068","","","","has coordinates,has disorder","179307","2020-10-21","18:00:00","" "4320467","10.7949","0.0008","15.7459","0.001","20.9128","0.0018","74.076","0.002","84.566","0.003","81.201","0.003","3372.8","0.4","180","2","180","2","","","","","","","","7","P -1","-P 1","2","","","","- C22 H44 Co2 F3 N5 O10 S -","- C22 H44 Co2 F3 N5 O10 S -","- C88 H176 Co8 F12 N20 O40 S4 -","4","2","","David A. Brown; W. Errington; W. K. Glass; W. Haase; T. J. Kemp; H. Nimir; S. M. Ostrovsky; R. Werner","Magnetic, Spectroscopic, and Structural Studies of Dicobalt Hydroxamates and Model Hydrolases","Inorganic Chemistry","2001","40","","5962","5971","10.1021/ic0103345","","","0.71073","MoKα","","0.139","0.0828","","","0.1682","0.2079","","","","","","1.071","","","","has coordinates,has disorder","198632","2020-10-21","18:00:00","" "4320468","8.3982","0.0003","13.2386","0.0006","29.0771","0.0006","90","","95.698","0.003","90","","3216.8","0.2","180","2","180","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C21 H45 Co2 F3 N4 O12 S -","- C21 H45 Co2 F3 N4 O12 S -","- C84 H180 Co8 F12 N16 O48 S4 -","4","1","","David A. Brown; W. Errington; W. K. Glass; W. Haase; T. J. Kemp; H. Nimir; S. M. Ostrovsky; R. Werner","Magnetic, Spectroscopic, and Structural Studies of Dicobalt Hydroxamates and Model Hydrolases","Inorganic Chemistry","2001","40","","5962","5971","10.1021/ic0103345","","","0.71073","MoKα","","0.081","0.0421","","","0.0802","0.093","","","","","","1.004","","","","has coordinates","179307","2020-10-21","18:00:00","" "4320469","8.5756","0.0006","22.1861","0.0012","16.4845","0.0012","90","","100.936","0.003","90","","3079.4","0.4","180","2","180","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C19 H43 Co2 F3 N4 O11 S -","- C19 H43 Co2 F3 N4 O11 S -","- C76 H172 Co8 F12 N16 O44 S4 -","4","1","","David A. Brown; W. Errington; W. K. Glass; W. Haase; T. J. Kemp; H. Nimir; S. M. Ostrovsky; R. Werner","Magnetic, Spectroscopic, and Structural Studies of Dicobalt Hydroxamates and Model Hydrolases","Inorganic Chemistry","2001","40","","5962","5971","10.1021/ic0103345","","","0.71073","MoKα","","0.0823","0.0463","","","0.0978","0.1143","","","","","","1.031","","","","has coordinates,has disorder","179307","2020-10-21","18:00:00","" "4320470","8.0482","0.0009","29.076","0.003","12.8882","0.0014","90","","93.965","0.003","90","","3008.7","0.6","180","2","180","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C19 H43 Co2 F3 N4 O11 S -","- C19 H43 Co2 F3 N4 O11 S -","- C76 H172 Co8 F12 N16 O44 S4 -","4","1","","David A. Brown; W. Errington; W. K. Glass; W. Haase; T. J. Kemp; H. Nimir; S. M. Ostrovsky; R. Werner","Magnetic, Spectroscopic, and Structural Studies of Dicobalt Hydroxamates and Model Hydrolases","Inorganic Chemistry","2001","40","","5962","5971","10.1021/ic0103345","","","0.71073","MoKα","","0.0908","0.0695","","","0.1709","0.1894","","","","","","1.048","","","","has coordinates","179307","2020-10-21","18:00:00","" "4320471","14.4593","0.0006","11.1013","0.0005","23.1378","0.001","90","","101.126","0.001","90","","3644.2","0.3","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C37 H23 Fe2 N O8 P2 -","- C37 H23 Fe2 N O8 P2 -","- C148 H92 Fe8 N4 O32 P8 -","4","1","","Hai-Bin Song; Zheng-Zhi Zhang; Thomas C. W. Mak","2,6-Bis(diphenylphosphino)pyridine-Bridged Hetero-Polynuclear Complexes Consolidated by Fe\ρightarrowM (M = Ag, Hg) Dative Bonding","Inorganic Chemistry","2001","40","","5928","5933","10.1021/ic010426u","","","0.71073","MoKα","","0.1808","0.0539","","","0.115","0.1557","","","","","","0.867","","","","has coordinates","179307","2020-10-21","18:00:00","" "4320472","13.364","0.002","14.852","0.003","18.063","0.003","90","","98.363","0.004","90","","3547.1","1.1","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C37 H23 Fe2 N O8 P2 -","- C37 H23 Fe2 N O8 P2 -","- C148 H92 Fe8 N4 O32 P8 -","4","1","","Hai-Bin Song; Zheng-Zhi Zhang; Thomas C. W. Mak","2,6-Bis(diphenylphosphino)pyridine-Bridged Hetero-Polynuclear Complexes Consolidated by Fe\ρightarrowM (M = Ag, Hg) Dative Bonding","Inorganic Chemistry","2001","40","","5928","5933","10.1021/ic010426u","","","0.71073","MoKα","","0.1488","0.0522","","","0.1097","0.1425","","","","","","0.91","","","","has coordinates","179307","2020-10-21","18:00:00","" "4320473","18.194","0.005","11.92","0.004","18.205","0.006","90","","95.474","0.006","90","","3930","2","293","2","293","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C37 H23 Ag Cl Fe2 N O12 P2 -","- C37 H23 Ag Cl Fe2 N O12 P2 -","- C148 H92 Ag4 Cl4 Fe8 N4 O48 P8 -","4","1","","Hai-Bin Song; Zheng-Zhi Zhang; Thomas C. W. Mak","2,6-Bis(diphenylphosphino)pyridine-Bridged Hetero-Polynuclear Complexes Consolidated by Fe\ρightarrowM (M = Ag, Hg) Dative Bonding","Inorganic Chemistry","2001","40","","5928","5933","10.1021/ic010426u","","","0.71073","MoKα","","0.16","0.0935","","","0.237","0.2919","","","","","","1.052","","","","has coordinates","179307","2020-10-21","18:00:00","" "4320474","15.606","0.002","14.677","0.002","18.83","0.003","90","","111.445","0.003","90","","4014.4","1","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C78 H62 Fe4 Hg4 N2 O14 P4 -","- C78 H62 Fe4 Hg4 N2 O14 P4 -","- C156 H124 Fe8 Hg8 N4 O28 P8 -","2","0.5","","Hai-Bin Song; Zheng-Zhi Zhang; Thomas C. W. Mak","2,6-Bis(diphenylphosphino)pyridine-Bridged Hetero-Polynuclear Complexes Consolidated by Fe\ρightarrowM (M = Ag, Hg) Dative Bonding","Inorganic Chemistry","2001","40","","5928","5933","10.1021/ic010426u","","","0.71073","MoKα","","0.0982","0.038","","","0.0537","0.0627","","","","","","0.774","","","","has coordinates","179307","2020-10-21","18:00:00","" "4320475","22.244","0.003","14.4189","0.0017","25.38","0.003","90","","106.59","0.002","90","","7801.4","1.7","293","2","293","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C78 H68 Fe3 Hg4 N2 O14 P4 -","- C78 H68 Fe3 Hg4 N2 O14 P4 -","- C312 H272 Fe12 Hg16 N8 O56 P16 -","4","0.5","","Hai-Bin Song; Zheng-Zhi Zhang; Thomas C. W. Mak","2,6-Bis(diphenylphosphino)pyridine-Bridged Hetero-Polynuclear Complexes Consolidated by Fe\ρightarrowM (M = Ag, Hg) Dative Bonding","Inorganic Chemistry","2001","40","","5928","5933","10.1021/ic010426u","","","0.71073","MoKα","","0.0519","0.0318","","","0.0683","0.0738","","","","","","0.957","","","","has coordinates","179307","2020-10-21","18:00:00","" "4320476","21.897","0.005","10.009","0.002","19.147","0.009","90","","111.4","0.03","90","","3907","2","253","2","253","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","Ligpo(1)","","","- C19 H24 N2 O3.5 P -","- C19 H24 N2 O3.5 P -","- C152 H192 N16 O28 P8 -","8","1","","Savariraj Kingsley; Vadapalli Chandrasekhar; Christopher D. Incarvito; Matthew K. Lam; Arnold L. Rheingold","Tethered Pyrazolyl Phosphinate: Pyrazolyl-N- and Phosphoryl-O-Metal Coordination in Ph2P(O){OCH2CH2(3,5-Me2Pz)}","Inorganic Chemistry","2001","40","","5890","5896","10.1021/ic010454c","","","0.71073","MoKα","","0.0592","0.0436","","","0.1334","0.1509","","","","","","1.065","","","","has coordinates","258736","2020-11-05","08:57:04","" "4320477","9.751","0.006","18.126","0.002","11.946","0.003","90","","95.31","0.03","90","","2102.4","1.4","293","2","293","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","COopp2epz(2)","","","- C19 H21 Cl2 Co N2 O2 P -","- C19 H21 Cl2 Co N2 O2 P -","- C76 H84 Cl8 Co4 N8 O8 P4 -","4","1","","Savariraj Kingsley; Vadapalli Chandrasekhar; Christopher D. Incarvito; Matthew K. Lam; Arnold L. Rheingold","Tethered Pyrazolyl Phosphinate: Pyrazolyl-N- and Phosphoryl-O-Metal Coordination in Ph2P(O){OCH2CH2(3,5-Me2Pz)}","Inorganic Chemistry","2001","40","","5890","5896","10.1021/ic010454c","","","0.71069","MoKα","","0.1813","0.0542","","","0.1027","0.141","","","","","","0.988","","","","has coordinates","179307","2020-10-21","18:00:00","" "4320478","7.678","0.0018","11.455","0.003","11.782","0.003","97.525","0.016","90.09","0.02","106.96","0.03","981.8","0.5","253","2","253","2","","","","","","","","7","P -1","-P 1","2","CUOPP2EPZ(3)","","","- C38 H42 Cl2 Cu N4 O4 P2 -","- C38 H42 Cl2 Cu N4 O4 P2 -","- C38 H42 Cl2 Cu N4 O4 P2 -","1","0.5","","Savariraj Kingsley; Vadapalli Chandrasekhar; Christopher D. Incarvito; Matthew K. Lam; Arnold L. Rheingold","Tethered Pyrazolyl Phosphinate: Pyrazolyl-N- and Phosphoryl-O-Metal Coordination in Ph2P(O){OCH2CH2(3,5-Me2Pz)}","Inorganic Chemistry","2001","40","","5890","5896","10.1021/ic010454c","","","0.71073","MoKα","","0.0454","0.0373","","","0.1051","0.109","","","","","","1.293","","","","has coordinates","176467","2020-10-21","18:00:00","" "4320479","9.753","0.002","18.0247","0.002","11.9998","0.002","90","","95.5162","0.008","90","","2099.7","0.6","193","2","193","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","PolyZn(4)","","","- C19 H21 Cl2 N2 O2 P Zn -","- C19 H21 Cl2 N2 O2 P Zn -","- C76 H84 Cl8 N8 O8 P4 Zn4 -","4","1","","Savariraj Kingsley; Vadapalli Chandrasekhar; Christopher D. Incarvito; Matthew K. Lam; Arnold L. Rheingold","Tethered Pyrazolyl Phosphinate: Pyrazolyl-N- and Phosphoryl-O-Metal Coordination in Ph2P(O){OCH2CH2(3,5-Me2Pz)}","Inorganic Chemistry","2001","40","","5890","5896","10.1021/ic010454c","","","0.71073","MoKα","","0.057","0.0451","","","0.1528","0.1667","","","","","","1.296","","","","has coordinates","179307","2020-10-21","18:00:00","" "4320480","7.671","0.016","11.487","0.002","11.763","0.003","97.551","0.018","90","0.01","106.87","0.08","983","2","293","2","293","2","","","","","","","","7","P -1","-P 1","2","Pdopp2epz(5)","","","- C38 H42 Cl2 N4 O4 P2 Pd -","- C38 H42 Cl2 N4 O4 P2 Pd -","- C38 H42 Cl2 N4 O4 P2 Pd -","1","0.5","","Savariraj Kingsley; Vadapalli Chandrasekhar; Christopher D. Incarvito; Matthew K. Lam; Arnold L. Rheingold","Tethered Pyrazolyl Phosphinate: Pyrazolyl-N- and Phosphoryl-O-Metal Coordination in Ph2P(O){OCH2CH2(3,5-Me2Pz)}","Inorganic Chemistry","2001","40","","5890","5896","10.1021/ic010454c","","","0.71073","MoKα","","0.031","0.0284","","","0.0987","0.1023","","","","","","0.935","","","","has coordinates","179307","2020-10-21","18:00:00","" "4320481","10.8063","0.0008","13.9194","0.0011","16.5636","0.0013","88.957","0.002","71.008","0.001","69.829","0.002","2198.9","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C46 H40 Cu2 N9 O11.5 -","- C46 H35 Cu2 N9 O11.5 -","- C92 H70 Cu4 N18 O23 -","2","1","","Chang Tong Yang; Boujemaa Moubaraki; Keith S. Murray; John D. Ranford; Jagadese Jayapurandara Vittal","Interconversion of a Monomer and Two Coordination Polymers of a Copper(II)-Reduced Schiff Base Ligand-1,10-Phenanthroline Complex Based on Hydrogen- and Coordinative-Bonding","Inorganic Chemistry","2001","40","","5934","5941","10.1021/ic010479b","","","0.71073","MoKα","","0.1165","0.0719","","","0.1722","0.2091","","","","","","1.056","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00","" "4320482","12.0353","0.0005","12.2848","0.0005","15.3185","0.0006","84.993","0.001","89.411","0.001","67.414","0.001","2082.51","0.15","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C32 H40 Cl2 Cu3 N4 O19 -","- C32 H32 Cl2 Cu3 N4 O19 -","- C64 H64 Cl4 Cu6 N8 O38 -","2","1","","Chang Tong Yang; Boujemaa Moubaraki; Keith S. Murray; John D. Ranford; Jagadese Jayapurandara Vittal","Interconversion of a Monomer and Two Coordination Polymers of a Copper(II)-Reduced Schiff Base Ligand-1,10-Phenanthroline Complex Based on Hydrogen- and Coordinative-Bonding","Inorganic Chemistry","2001","40","","5934","5941","10.1021/ic010479b","","","0.71073","MoKα","","0.1363","0.0803","","","0.1775","0.206","","","","","","1.045","","","","has coordinates","179307","2020-10-21","18:00:00","" "4320483","10.8095","0.0001","10.8095","0.0001","59.0159","0.0004","90","","90","","90","","6895.73","0.1","293","2","293","2","","","","","","","","6","I 41/a :2","-I 4ad","88","","","","- C32 H34 Cl2 Cu N4 O14 -","- C32 H34 Cl2 Cu N4 O14 -","- C256 H272 Cl16 Cu8 N32 O112 -","8","0.5","","Chang Tong Yang; Boujemaa Moubaraki; Keith S. Murray; John D. Ranford; Jagadese Jayapurandara Vittal","Interconversion of a Monomer and Two Coordination Polymers of a Copper(II)-Reduced Schiff Base Ligand-1,10-Phenanthroline Complex Based on Hydrogen- and Coordinative-Bonding","Inorganic Chemistry","2001","40","","5934","5941","10.1021/ic010479b","","","0.71073","MoKα","","0.076","0.0645","","","0.1669","0.175","","","","","","1.069","","","","has coordinates,has disorder","179307","2020-10-21","18:00:00","" "4320484","10.6344","0.0003","5.3953","0.0001","18.1983","0.0001","90","","99.686","0.001","90","","1029.26","0.04","223","2","223","2","","","","","","","","5","P 1 n 1","P -2yac","7","","","","- C22 H23 Cu N3 O5 -","- C22 H23 Cu N3 O5 -","- C44 H46 Cu2 N6 O10 -","2","1","","Chang Tong Yang; Boujemaa Moubaraki; Keith S. Murray; John D. Ranford; Jagadese Jayapurandara Vittal","Interconversion of a Monomer and Two Coordination Polymers of a Copper(II)-Reduced Schiff Base Ligand-1,10-Phenanthroline Complex Based on Hydrogen- and Coordinative-Bonding","Inorganic Chemistry","2001","40","","5934","5941","10.1021/ic010479b","","","0.71073","MoKα","","0.0357","0.0291","","","0.0567","0.0586","","","","","","1.009","","","","has coordinates","179307","2020-10-21","18:00:00","" "4320485","4.622411","0.00002","4.622411","","4.305901","","90","","90","","120","","79.6768","0.0003","","","","","","","","","","","","2","P 63 2 2","P 6c 2c","182","","","","- N Ni3 -","- N Ni3 -","- N2 Ni6 -","2","0.166667","","Andreas Leineweber; Herbert Jacobs; Steve Hull","Ordering of Nitrogen in Nickel Nitride Ni3N Determined by Neutron Diffraction","Inorganic Chemistry","2001","40","","5818","5822","10.1021/ic0104860","powder diffraction","","","","","","","","","","","","","2.22","","","","","","","has coordinates,has Fobs","176467","2020-10-21","18:00:00","" "4320486","3.52288","0.0002","3.52288","","3.52288","","90","","90","","90","","43.721","0.002","","","","","","","","","","","","1","F m -3 m","-F 4 2 3","225","","","","- Ni -","- Ni -","- Ni4 -","4","0.0208333","","Andreas Leineweber; Herbert Jacobs; Steve Hull","Ordering of Nitrogen in Nickel Nitride Ni3N Determined by Neutron Diffraction","Inorganic Chemistry","2001","40","","5818","5822","10.1021/ic0104860","powder diffraction","","","","","","","","","","","","","2.22","","","","","","","has coordinates,has Fobs","201982","2020-10-21","18:00:00","" "4320487","4.18263","0.00033","4.18263","","4.18263","","90","","90","","90","","73.173","0.006","","","","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","","","- Ni O -","- Ni O -","- Ni4 O4 -","4","0.0208333","","Andreas Leineweber; Herbert Jacobs; Steve Hull","Ordering of Nitrogen in Nickel Nitride Ni3N Determined by Neutron Diffraction","Inorganic Chemistry","2001","40","","5818","5822","10.1021/ic0104860","powder diffraction","","","","","","","","","","","","","2.22","","","","","","","has coordinates,has Fobs","201982","2020-10-21","18:00:00","" "4320488","4.626407","0.000023","4.626407","","4.30998","","90","","90","","120","","79.8902","0.0004","","","","","","","","","","","","2","P 63 2 2","P 6c 2c","182","","","","- N Ni3 -","- N Ni3 -","- N2 Ni6 -","2","0.166667","","Andreas Leineweber; Herbert Jacobs; Steve Hull","Ordering of Nitrogen in Nickel Nitride Ni3N Determined by Neutron Diffraction","Inorganic Chemistry","2001","40","","5818","5822","10.1021/ic0104860","powder diffraction","","","","","","","","","","","","","1.68","","","","","","","has coordinates,has Fobs","176467","2020-10-21","18:00:00","" "4320489","3.52706","0.00023","3.52706","","3.52706","","90","","90","","90","","43.877","0.003","","","","","","","","","","","","1","F m -3 m","-F 4 2 3","225","","","","- Ni -","- Ni -","- Ni4 -","4","0.0208333","","Andreas Leineweber; Herbert Jacobs; Steve Hull","Ordering of Nitrogen in Nickel Nitride Ni3N Determined by Neutron Diffraction","Inorganic Chemistry","2001","40","","5818","5822","10.1021/ic0104860","powder diffraction","","","","","","","","","","","","","1.68","","","","","","","has coordinates,has Fobs","201982","2020-10-21","18:00:00","" "4320490","4.1872","0.0004","4.1872","","4.1872","","90","","90","","90","","73.413","0.007","","","","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","","","- Ni O -","- Ni O -","- Ni4 O4 -","4","0.0208333","","Andreas Leineweber; Herbert Jacobs; Steve Hull","Ordering of Nitrogen in Nickel Nitride Ni3N Determined by Neutron Diffraction","Inorganic Chemistry","2001","40","","5818","5822","10.1021/ic0104860","powder diffraction","","","","","","","","","","","","","1.68","","","","","","","has coordinates,has Fobs","201982","2020-10-21","18:00:00","" "4320491","4.628995","0.000024","4.628995","","4.31263","","90","","90","","120","","80.0288","0.0004","","","","","","","","","","","","2","P 63 2 2","P 6c 2c","182","","","","- N Ni3 -","- N Ni3 -","- N2 Ni6 -","2","0.166667","","Andreas Leineweber; Herbert Jacobs; Steve Hull","Ordering of Nitrogen in Nickel Nitride Ni3N Determined by Neutron Diffraction","Inorganic Chemistry","2001","40","","5818","5822","10.1021/ic0104860","powder diffraction","","","","","","","","","","","","","1.64","","","","","","","has coordinates,has Fobs","176467","2020-10-21","18:00:00","" "4320492","3.52916","0.00025","3.52916","","3.52916","","90","","90","","90","","43.956","0.003","","","","","","","","","","","","1","F m -3 m","-F 4 2 3","225","","","","- Ni -","- Ni -","- Ni4 -","4","0.0208333","","Andreas Leineweber; Herbert Jacobs; Steve Hull","Ordering of Nitrogen in Nickel Nitride Ni3N Determined by Neutron Diffraction","Inorganic Chemistry","2001","40","","5818","5822","10.1021/ic0104860","powder diffraction","","","","","","","","","","","","","1.64","","","","","","","has coordinates,has Fobs","201982","2020-10-21","18:00:00","" "4320493","4.19006","0.00035","4.19006","","4.19006","","90","","90","","90","","73.563","0.006","","","","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","","","- Ni O -","- Ni O -","- Ni4 O4 -","4","0.0208333","","Andreas Leineweber; Herbert Jacobs; Steve Hull","Ordering of Nitrogen in Nickel Nitride Ni3N Determined by Neutron Diffraction","Inorganic Chemistry","2001","40","","5818","5822","10.1021/ic0104860","powder diffraction","","","","","","","","","","","","","1.64","","","","","","","has coordinates,has Fobs","201982","2020-10-21","18:00:00","" "4320494","4.631653","0.000025","4.631652","","4.31543","","90","","90","","120","","80.1727","0.0004","","","","","","","","","","","","2","P 63 2 2","P 6c 2c","182","","","","- N Ni3 -","- N Ni3 -","- N2 Ni6 -","2","0.166667","","Andreas Leineweber; Herbert Jacobs; Steve Hull","Ordering of Nitrogen in Nickel Nitride Ni3N Determined by Neutron Diffraction","Inorganic Chemistry","2001","40","","5818","5822","10.1021/ic0104860","powder diffraction","","","","","","","","","","","","","1.69","","","","","","","has coordinates,has Fobs","176467","2020-10-21","18:00:00","" "4320495","3.53195","0.00025","3.53195","","3.53195","","90","","90","","90","","44.06","0.003","","","","","","","","","","","","1","F m -3 m","-F 4 2 3","225","","","","- Ni -","- Ni -","- Ni4 -","4","0.0208333","","Andreas Leineweber; Herbert Jacobs; Steve Hull","Ordering of Nitrogen in Nickel Nitride Ni3N Determined by Neutron Diffraction","Inorganic Chemistry","2001","40","","5818","5822","10.1021/ic0104860","powder diffraction","","","","","","","","","","","","","1.69","","","","","","","has coordinates,has Fobs","201982","2020-10-21","18:00:00","" "4320496","4.1939","0.00033","4.1939","","4.1939","","90","","90","","90","","73.766","0.006","","","","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","","","- Ni O -","- Ni O -","- Ni4 O4 -","4","0.0208333","","Andreas Leineweber; Herbert Jacobs; Steve Hull","Ordering of Nitrogen in Nickel Nitride Ni3N Determined by Neutron Diffraction","Inorganic Chemistry","2001","40","","5818","5822","10.1021/ic0104860","powder diffraction","","","","","","","","","","","","","1.69","","","","","","","has coordinates,has Fobs","201982","2020-10-21","18:00:00","" "4320497","4.632942","0.000026","4.632942","","4.31714","","90","","90","","120","","80.2492","0.0005","","","","","","","","","","","","2","P 63 2 2","P 6c 2c","182","","","","- N Ni3 -","- N Ni3 -","- N2 Ni6 -","2","0.166667","","Andreas Leineweber; Herbert Jacobs; Steve Hull","Ordering of Nitrogen in Nickel Nitride Ni3N Determined by Neutron Diffraction","Inorganic Chemistry","2001","40","","5818","5822","10.1021/ic0104860","powder diffraction","","","","","","","","","","","","","1.84","","","","","","","has coordinates,has Fobs","176467","2020-10-21","18:00:00","" "4320498","3.53336","0.00027","3.53336","","3.53336","","90","","90","","90","","44.113","0.003","","","","","","","","","","","","1","F m -3 m","-F 4 2 3","225","","","","- Ni -","- Ni -","- Ni4 -","4","0.0208333","","Andreas Leineweber; Herbert Jacobs; Steve Hull","Ordering of Nitrogen in Nickel Nitride Ni3N Determined by Neutron Diffraction","Inorganic Chemistry","2001","40","","5818","5822","10.1021/ic0104860","powder diffraction","","","","","","","","","","","","","1.84","","","","","","","has coordinates,has Fobs","201982","2020-10-21","18:00:00","" "4320499","4.19582","0.00029","4.19582","","4.19582","","90","","90","","90","","73.867","0.005","","","","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","","","- Ni O -","- Ni O -","- Ni4 O4 -","4","0.0208333","","Andreas Leineweber; Herbert Jacobs; Steve Hull","Ordering of Nitrogen in Nickel Nitride Ni3N Determined by Neutron Diffraction","Inorganic Chemistry","2001","40","","5818","5822","10.1021/ic0104860","powder diffraction","","","","","","","","","","","","","1.84","","","","","","","has coordinates,has Fobs","201982","2020-10-21","18:00:00","" "4320500","4.633861","0.000028","4.633861","","4.31867","","90","","90","","120","","80.3095","0.0005","","","","","","","","","","","","2","P 63 2 2","P 6c 2c","182","","","","- N Ni3 -","- N Ni3 -","- N2 Ni6 -","2","0.166667","","Andreas Leineweber; Herbert Jacobs; Steve Hull","Ordering of Nitrogen in Nickel Nitride Ni3N Determined by Neutron Diffraction","Inorganic Chemistry","2001","40","","5818","5822","10.1021/ic0104860","powder diffraction","","","","","","","","","","","","","1.89","","","","","","","has coordinates,has Fobs","176467","2020-10-21","18:00:00","" "4320501","3.53452","0.00028","3.53452","","3.53452","","90","","90","","90","","44.156","0.003","","","","","","","","","","","","1","F m -3 m","-F 4 2 3","225","","","","- Ni -","- Ni -","- Ni4 -","4","0.0208333","","Andreas Leineweber; Herbert Jacobs; Steve Hull","Ordering of Nitrogen in Nickel Nitride Ni3N Determined by Neutron Diffraction","Inorganic Chemistry","2001","40","","5818","5822","10.1021/ic0104860","powder diffraction","","","","","","","","","","","","","1.89","","","","","","","has coordinates,has Fobs","201982","2020-10-21","18:00:00","" "4320502","4.19865","0.00025","4.19865","","4.19865","","90","","90","","90","","74.017","0.004","","","","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","","","- Ni O -","- Ni O -","- Ni4 O4 -","4","0.0208333","","Andreas Leineweber; Herbert Jacobs; Steve Hull","Ordering of Nitrogen in Nickel Nitride Ni3N Determined by Neutron Diffraction","Inorganic Chemistry","2001","40","","5818","5822","10.1021/ic0104860","powder diffraction","","","","","","","","","","","","","1.89","","","","","","","has coordinates,has Fobs","201982","2020-10-21","18:00:00","" "4320503","4.636302","0.000033","4.636302","","4.32179","","90","","90","","120","","80.4522","0.0006","","","","","","","","","","","","2","P 63 2 2","P 6c 2c","182","","","","- N Ni3 -","- N Ni3 -","- N2 Ni6 -","2","0.166667","","Andreas Leineweber; Herbert Jacobs; Steve Hull","Ordering of Nitrogen in Nickel Nitride Ni3N Determined by Neutron Diffraction","Inorganic Chemistry","2001","40","","5818","5822","10.1021/ic0104860","powder diffraction","","","","","","","","","","","","","1.96","","","","","","","has coordinates,has Fobs","176467","2020-10-21","18:00:00","" "4320504","3.5384","0.00006","3.5384","","3.5384","","90","","90","","90","","44.3017","0.0008","","","","","","","","","","","","1","F m -3 m","-F 4 2 3","225","","","","- Ni -","- Ni -","- Ni4 -","4","0.0208333","","Andreas Leineweber; Herbert Jacobs; Steve Hull","Ordering of Nitrogen in Nickel Nitride Ni3N Determined by Neutron Diffraction","Inorganic Chemistry","2001","40","","5818","5822","10.1021/ic0104860","powder diffraction","","","","","","","","","","","","","1.96","","","","","","","has coordinates,has Fobs","201982","2020-10-21","18:00:00","" "4320505","4.20097","0.00021","4.20097","","4.20097","","90","","90","","90","","74.139","0.004","","","","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","","","- Ni O -","- Ni O -","- Ni4 O4 -","4","0.0208333","","Andreas Leineweber; Herbert Jacobs; Steve Hull","Ordering of Nitrogen in Nickel Nitride Ni3N Determined by Neutron Diffraction","Inorganic Chemistry","2001","40","","5818","5822","10.1021/ic0104860","powder diffraction","","","","","","","","","","","","","1.96","","","","","","","has coordinates,has Fobs","201982","2020-10-21","18:00:00","" "4320506","4.634816","0.000029","4.634816","","4.32018","","90","","90","","120","","80.3706","0.0005","","","","","","","","","","","","2","P 63 2 2","P 6c 2c","182","","","","- N Ni3 -","- N Ni3 -","- N2 Ni6 -","2","0.166667","","Andreas Leineweber; Herbert Jacobs; Steve Hull","Ordering of Nitrogen in Nickel Nitride Ni3N Determined by Neutron Diffraction","Inorganic Chemistry","2001","40","","5818","5822","10.1021/ic0104860","powder diffraction","","","","","","","","","","","","","1.94","","","","","","","has coordinates,has Fobs","176467","2020-10-21","18:00:00","" "4320507","3.53654","0.00018","3.53654","","3.53654","","90","","90","","90","","44.232","0.002","","","","","","","","","","","","1","F m -3 m","-F 4 2 3","225","","","","- Ni -","- Ni -","- Ni4 -","4","0.0208333","","Andreas Leineweber; Herbert Jacobs; Steve Hull","Ordering of Nitrogen in Nickel Nitride Ni3N Determined by Neutron Diffraction","Inorganic Chemistry","2001","40","","5818","5822","10.1021/ic0104860","powder diffraction","","","","","","","","","","","","","1.94","","","","","","","has coordinates,has Fobs","201982","2020-10-21","18:00:00","" "4320508","4.19986","0.00023","4.19986","","4.19986","","90","","90","","90","","74.081","0.004","","","","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","","","- Ni O -","- Ni O -","- Ni4 O4 -","4","0.0208333","","Andreas Leineweber; Herbert Jacobs; Steve Hull","Ordering of Nitrogen in Nickel Nitride Ni3N Determined by Neutron Diffraction","Inorganic Chemistry","2001","40","","5818","5822","10.1021/ic0104860","powder diffraction","","","","","","","","","","","","","1.94","","","","","","","has coordinates,has Fobs","201982","2020-10-21","18:00:00","" "4320509","4.63798","0.00005","4.63798","","4.32334","","90","","90","","120","","80.5393","0.0009","","","","","","","","","","","","2","P 63 2 2","P 6c 2c","182","","","","- N Ni3 -","- N Ni3 -","- N2 Ni6 -","2","0.166667","","Andreas Leineweber; Herbert Jacobs; Steve Hull","Ordering of Nitrogen in Nickel Nitride Ni3N Determined by Neutron Diffraction","Inorganic Chemistry","2001","40","","5818","5822","10.1021/ic0104860","powder diffraction","","","","","","","","","","","","","1.35","","","","","","","has coordinates,has Fobs","176467","2020-10-21","18:00:00","" "4320510","3.539738","0.000033","3.539738","","3.539738","","90","","90","","90","","44.352","0.0004","","","","","","","","","","","","1","F m -3 m","-F 4 2 3","225","","","","- Ni -","- Ni -","- Ni4 -","4","0.0208333","","Andreas Leineweber; Herbert Jacobs; Steve Hull","Ordering of Nitrogen in Nickel Nitride Ni3N Determined by Neutron Diffraction","Inorganic Chemistry","2001","40","","5818","5822","10.1021/ic0104860","powder diffraction","","","","","","","","","","","","","1.35","","","","","","","has coordinates,has Fobs","201982","2020-10-21","18:00:00","" "4320511","14.811","0.003","22.188","0.004","21.864","0.004","90","","100.124","0.003","90","","7073","2","158","2","158","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","(Cl4-cat)2Mo2Fe3S5(PEt3)5","","","- C46 H85 Cl8 Fe3 Mo2 O5 P5 S5 -","- C46 H85 Cl8 Fe3 Mo2 O5 P5 S5 -","- C184 H340 Cl32 Fe12 Mo8 O20 P20 S20 -","4","1","","Jaehong Han; Markos Koutmos; Saleem Al Ahmad; Dimitri Coucouvanis","Rational Synthesis of High Nuclearity Mo/Fe/S Clusters: The Reductive Coupling Approach in the Convenient Synthesis of (Cl4-cat)2Mo2Fe6S8(PR3)6 [R = Et, nPr, nBu] and the New [(Cl4-cat)2Mo2Fe2S3O(PEt3)3Cl].1/2(Fe(PEt3)2(MeCN)4) and (Cl4-cat)2Mo2Fe3S5(PEt3)5 Clusters","Inorganic Chemistry","2001","40","","5985","5999","10.1021/ic0104914","","","0.71073","MoKα","","0.058","0.0459","","","0.1458","0.1547","","","","","","1.04","","","","has coordinates","179308","2020-10-21","18:00:00","" "4320512","16.7748","0.0017","24.543","0.003","29.36","0.003","90","","90","","90","","12088","2","158","2","158","2","","","","","","","","8","P c c n","-P 2ab 2ac","56","(Cl4-cat)2Mo2Fe6S8(PnBu3)6","","","- C86 H166 Cl12 Fe6 Mo2 O4 P6 S8 -","- C86 H166 Cl12 Fe6 Mo2 O4 P6 S8 -","- C344 H664 Cl48 Fe24 Mo8 O16 P24 S32 -","4","0.5","","Jaehong Han; Markos Koutmos; Saleem Al Ahmad; Dimitri Coucouvanis","Rational Synthesis of High Nuclearity Mo/Fe/S Clusters: The Reductive Coupling Approach in the Convenient Synthesis of (Cl4-cat)2Mo2Fe6S8(PR3)6 [R = Et, nPr, nBu] and the New [(Cl4-cat)2Mo2Fe2S3O(PEt3)3Cl].1/2(Fe(PEt3)2(MeCN)4) and (Cl4-cat)2Mo2Fe3S5(PEt3)5 Clusters","Inorganic Chemistry","2001","40","","5985","5999","10.1021/ic0104914","","","0.71073","MoKα","","0.0962","0.0761","","","0.2054","0.2215","","","","","","1.027","","","","has coordinates","179308","2020-10-21","18:00:00","" "4320513","14.1878","0.0014","14.1878","0.0014","66.895","0.009","90","","90","","120","","11661","2","158","2","158","2","","","","","","","","6","R -3 c :H","-R 3 2""c","167","(PF6)[Fe6S8(PnPr3)6]","","","- C54 H126 F6 Fe6 P7 S8 -","- C54 H126 F5.99 Fe6 P7 S8 -","- C324 H756 F35.94 Fe36 P42 S48 -","6","0.166667","","Jaehong Han; Markos Koutmos; Saleem Al Ahmad; Dimitri Coucouvanis","Rational Synthesis of High Nuclearity Mo/Fe/S Clusters: The Reductive Coupling Approach in the Convenient Synthesis of (Cl4-cat)2Mo2Fe6S8(PR3)6 [R = Et, nPr, nBu] and the New [(Cl4-cat)2Mo2Fe2S3O(PEt3)3Cl].1/2(Fe(PEt3)2(MeCN)4) and (Cl4-cat)2Mo2Fe3S5(PEt3)5 Clusters","Inorganic Chemistry","2001","40","","5985","5999","10.1021/ic0104914","","","0.71073","MoKα","","0.0424","0.0394","","","0.0955","0.0969","","","","","","1.149","","","","has coordinates","179308","2020-10-21","18:00:00","" "4320514","13.09","0.003","19.775","0.004","9.6856","0.0019","90","","126.75","0.03","90","","2008.9","1.1","293","2","293","2","","","","","","","","8","C 1 m 1","C -2y","8","(Et4N)2[(Cl4-cat)Mo(MeCN)Fe3S4Cl3]","","","- C24 H43 Cl7 Fe3 Mo N3 O2 S4 -","- C24 Cl7 Fe3 Mo N3 O2 S4 -","- C48 Cl14 Fe6 Mo2 N6 O4 S8 -","2","0.5","","Jaehong Han; Markos Koutmos; Saleem Al Ahmad; Dimitri Coucouvanis","Rational Synthesis of High Nuclearity Mo/Fe/S Clusters: The Reductive Coupling Approach in the Convenient Synthesis of (Cl4-cat)2Mo2Fe6S8(PR3)6 [R = Et, nPr, nBu] and the New [(Cl4-cat)2Mo2Fe2S3O(PEt3)3Cl].1/2(Fe(PEt3)2(MeCN)4) and (Cl4-cat)2Mo2Fe3S5(PEt3)5 Clusters","Inorganic Chemistry","2001","40","","5985","5999","10.1021/ic0104914","","","0.71073","MoKα","","0.0542","0.0494","","","0.1262","0.1354","","","","","","1.074","","","","has coordinates","179308","2020-10-21","18:00:00","" "4320515","11.098","0.003","22.827","0.006","25.855","0.006","90","","91.68","0.004","90","","6547","3","158","2","158","2","","","","","","","","9","P 1 21/c 1","-P 2ybc","14","Mo2Fe2OS3 cubane","","","- C44 H72 Cl9 Fe2.5 Mo2 N4 O5 P4 S3 -","- C43.5 H44 Cl9 Fe2.5 Mo2 N4 O5 P4 S3 -","- C174 H176 Cl36 Fe10 Mo8 N16 O20 P16 S12 -","4","1","","Jaehong Han; Markos Koutmos; Saleem Al Ahmad; Dimitri Coucouvanis","Rational Synthesis of High Nuclearity Mo/Fe/S Clusters: The Reductive Coupling Approach in the Convenient Synthesis of (Cl4-cat)2Mo2Fe6S8(PR3)6 [R = Et, nPr, nBu] and the New [(Cl4-cat)2Mo2Fe2S3O(PEt3)3Cl].1/2(Fe(PEt3)2(MeCN)4) and (Cl4-cat)2Mo2Fe3S5(PEt3)5 Clusters","Inorganic Chemistry","2001","40","","5985","5999","10.1021/ic0104914","","","0.71073","MoKα","","0.043","0.0326","","","0.0916","0.097","","","","","","1.04","","","","has coordinates","176467","2020-10-21","18:00:00","" "4320516","12.0756","0.001","12.207","0.001","13.4024","0.0011","93.209","0.001","114.576","0.001","116.645","0.001","1532.7","0.2","158","2","158","2","","","","","","","","6","P -1","-P 1","2","(BPh4)[Fe(PEt3)2(MeCN)4]","","","- C68 H82 B2 Fe N4 P2 -","- C68 H82 B2 Fe N4 P2 -","- C68 H82 B2 Fe N4 P2 -","1","0.5","","Jaehong Han; Markos Koutmos; Saleem Al Ahmad; Dimitri Coucouvanis","Rational Synthesis of High Nuclearity Mo/Fe/S Clusters: The Reductive Coupling Approach in the Convenient Synthesis of (Cl4-cat)2Mo2Fe6S8(PR3)6 [R = Et, nPr, nBu] and the New [(Cl4-cat)2Mo2Fe2S3O(PEt3)3Cl].1/2(Fe(PEt3)2(MeCN)4) and (Cl4-cat)2Mo2Fe3S5(PEt3)5 Clusters","Inorganic Chemistry","2001","40","","5985","5999","10.1021/ic0104914","","","0.71073","MoKα","","0.0535","0.0388","","","0.0943","0.0991","","","","","","1.033","","","","has coordinates","179308","2020-10-21","18:00:00","" "4320517","12.5301","0.0012","14.472","0.002","13.4574","0.0013","90","","93.848","0.01","90","","2434.8","0.5","183","2","183","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C16 H24 Cl4 Ga2 N2 Si2 -","- C16 H24 Cl4 Ga2 N2 Si2 -","- C64 H96 Cl16 Ga8 N8 Si8 -","4","0.5","","Claire J. Carmalt; John D. Mileham; Andrew J. P. White; David J. Williams; Jonathan W. Steed","Synthesis and Characterization of Gallium Silylamido Complexes","Inorganic Chemistry","2001","40","","6035","6038","10.1021/ic010507q","","","0.71073","MoKα","","0.0578","0.0404","","0.0986","0.0862","","","","1.029","1.064","1.064","","","","","has coordinates","176467","2020-10-21","18:00:00","" "4320518","10.2961","0.001","13.9703","0.001","17.756","0.0012","73.503","0.005","83.418","0.007","75.594","0.007","2369.2","0.3","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C44 H54 Cl2 Ga2 N2 Si4 -","- C44 H54 Cl2 Ga2 N2 Si4 -","- C88 H108 Cl4 Ga4 N4 Si8 -","2","1","","Claire J. Carmalt; John D. Mileham; Andrew J. P. White; David J. Williams; Jonathan W. Steed","Synthesis and Characterization of Gallium Silylamido Complexes","Inorganic Chemistry","2001","40","","6035","6038","10.1021/ic010507q","","","1.54178","CuKα","","0.0475","0.0366","","0.0936","0.0867","","","","1.023","1.045","1.045","","","","","has coordinates","176467","2020-10-21","18:00:00","" "4320519","11.9989","0.0016","6.737","0.0011","7.2181","0.0009","90","","126.201","0.007","90","","470.84","0.12","100","2","100","2","","","","","","","","4","C 1 2/m 1","-C 2y","12","","","","- C2 H6 Cl4 Ga2 -","- C2 H6 Cl4 Ga2 -","- C4 H12 Cl8 Ga4 -","2","0.25","","Claire J. Carmalt; John D. Mileham; Andrew J. P. White; David J. Williams; Jonathan W. Steed","Synthesis and Characterization of Gallium Silylamido Complexes","Inorganic Chemistry","2001","40","","6035","6038","10.1021/ic010507q","","","0.71073","MoKα","","0.0563","0.0541","","","0.1522","0.154","","","","","","1.171","","","","has coordinates","179308","2020-10-21","18:00:00","" "4320520","16.631","0.003","11.027","0.002","16.174","0.004","90","","96.592","0.015","90","","2946.5","1.1","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C20 H40 I4 Mg O5 -","- C20 H40 I4 Mg O5 -","- C80 H160 I16 Mg4 O20 -","4","0.5","","Rudolf J. Wehmschulte; Brendan Twamley; Masood A. Khan","Synthesis and Characterization of an Unsolvated Dimeric Diarylmagnesium Compound and Its Magnesium Iodide Byproducts","Inorganic Chemistry","2001","40","","6004","6008","10.1021/ic010513m","","","0.71073","MoKα","","0.0481","0.0396","","","0.0991","0.1043","","","","","","1.055","","","","has coordinates","179308","2020-10-21","18:00:00","" "4320521","19.481","0.002","12.862","0.001","29.179","0.002","90","","108.56","0.02","90","","6931","1.3","89","2","89","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","[diep2Mg]2","","","- C40 H52 Mg2 -","- C40 H52 Mg2 -","- C320 H416 Mg16 -","8","2","","Rudolf J. Wehmschulte; Brendan Twamley; Masood A. Khan","Synthesis and Characterization of an Unsolvated Dimeric Diarylmagnesium Compound and Its Magnesium Iodide Byproducts","Inorganic Chemistry","2001","40","","6004","6008","10.1021/ic010513m","","","0.71073","MoKα","","0.2825","0.0768","","","0.1601","0.2706","","","","","","1.004","","","","has coordinates","179308","2020-10-21","18:00:00","" "4320522","12.234","0.004","12.6","0.004","12.395","0.003","90","","112.67","0.02","90","","1763.1","0.9","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C12 H24 I2 Mg O3 -","- C12 H24 I2 Mg O3 -","- C48 H96 I8 Mg4 O12 -","4","0.5","","Rudolf J. Wehmschulte; Brendan Twamley; Masood A. Khan","Synthesis and Characterization of an Unsolvated Dimeric Diarylmagnesium Compound and Its Magnesium Iodide Byproducts","Inorganic Chemistry","2001","40","","6004","6008","10.1021/ic010513m","","","0.71073","MoKα","","0.0568","0.0508","","0.1538","0.134","","","","1.048","1.069","1.069","","","","","has coordinates","179308","2020-10-21","18:00:00","" "4320523","14.279","0.002","14.279","0.002","14.279","0.002","90","","90","","90","","2911.3","0.7","173","2","173","2","","","","","","","","5","P n -3 :2","-P 2ab 2bc 3","201","","","","- C24 H48 I2 Mg O6 -","- C24 H48 I2 Mg O6 -","- C96 H192 I8 Mg4 O24 -","4","0.166667","","Rudolf J. Wehmschulte; Brendan Twamley; Masood A. Khan","Synthesis and Characterization of an Unsolvated Dimeric Diarylmagnesium Compound and Its Magnesium Iodide Byproducts","Inorganic Chemistry","2001","40","","6004","6008","10.1021/ic010513m","","","0.71073","MoKα","","0.1846","0.1244","","","0.295","0.3322","","","","","","1.106","","","","has coordinates","179308","2020-10-21","18:00:00","" "4320524","11.802","0.001","28.303","0.002","18.82","0.002","90","","95.673","0.002","90","","6255.7","1","213","2","213","2","","","","","","","","7","P 1 21/m 1","-P 2yb","11","","","","- C100.8 H77.6 Cl13.6 F16 N12 O16 Rh4 -","- C100.8 H64 Cl13.6 F16 N12 O16 Rh4 -","- C201.6 H128 Cl27.2 F32 N24 O32 Rh8 -","2","0.5","","F. Albert Cotton; Chun Lin; Carlos A. Murillo","Controlling the Dimensionality of Metal-Metal Bonded Rh24+ Polymers by the Length of the Linker. A Disciplined Example of Crystal Engineering","Inorganic Chemistry","2001","40","","5886","5889","10.1021/ic010537t","","","0.71073","MoKα","","0.1807","0.0948","","","0.2168","0.2571","","","","","","1.032","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00","" "4320525","20.277","0.002","17.703","0.002","14.823","0.002","90","","128.973","0.002","90","","4136.7","0.8","173","2","173","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","00023","","","- C15 H18 K N6 O8.5 Ru -","- C15 H18 K N6 O8.5 Ru -","- C120 H144 K8 N48 O68 Ru8 -","8","1","","Daniel A. Freedman; Daron E. Janzen; Kent R. Mann","The Synthesis and Characterization of Potassium 2,2'-Bipyridinetetranitroruthenate","Inorganic Chemistry","2001","40","","6009","6016","10.1021/ic010548m","","","0.71073","MoKα","","0.0559","0.0307","","","0.0608","0.0677","","","","","","0.936","","","","has coordinates,has disorder","198632","2020-10-21","18:00:00","" "4320526","9.3783","0.0005","13.7562","0.0007","15.9368","0.0008","90","","91.249","0.001","90","","2055.51","0.18","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H20 N6 O5 Ru -","- C20 H20 N6 O5 Ru -","- C80 H80 N24 O20 Ru4 -","4","1","","Daniel A. Freedman; Daron E. Janzen; Kent R. Mann","The Synthesis and Characterization of Potassium 2,2'-Bipyridinetetranitroruthenate","Inorganic Chemistry","2001","40","","6009","6016","10.1021/ic010548m","","","0.71073","MoKα","","0.0445","0.0283","","","0.061","0.0655","","","","","","0.928","","","","has coordinates","179308","2020-10-21","18:00:00","" "4320527","11.877","0.0015","12.9271","0.0016","13.0969","0.0016","90","","99.874","0.002","90","","1981","0.4","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C10 H16 K2 N6 O12 Ru -","- C10 H16 K2 N6 O12 Ru -","- C40 H64 K8 N24 O48 Ru4 -","4","1","","Daniel A. Freedman; Daron E. Janzen; Kent R. Mann","The Synthesis and Characterization of Potassium 2,2'-Bipyridinetetranitroruthenate","Inorganic Chemistry","2001","40","","6009","6016","10.1021/ic010548m","","","0.71073","MoKα","","0.0395","0.0371","","","0.0924","0.0934","","","","","","1.161","","","","has coordinates,has disorder","179308","2020-10-21","18:00:00","" "4320528","22.506","0.003","27.7","0.006","10.729","0.002","90","","90","","90","","6689","2","294","2","294","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","trans-dichloro(1,2-etanediolato)bis(2,4- di-t-butylphenolato)tungsten(VI)","","- C30 H46 Cl2 O4 W -","- C30 H46 Cl2 O4 W -","- C240 H368 Cl16 O32 W8 -","8","1","","Ari Lehtonen; Reijo Sillanpää","On the Reactions of Bisdiolatotungsten(VI) Phenoxides. Syntheses, Characterizations, and Molecular Structures of trans-[WCl2(Diol)(OAr)2]","Inorganic Chemistry","2001","40","","6047","6051","10.1021/ic010583t","","","0.71069","MoKα","","0.2005","0.0527","","","0.0926","0.1234","","","","","","0.923","","","","has coordinates","179308","2020-10-21","18:00:00","" "4320529","11.3504","0.0014","11.3636","0.001","8.3205","0.0011","104.248","0.008","94.583","0.012","73.15","0.009","995.5","0.2","294","2","294","2","","","","","","","","5","P -1","-P 1","2","","trans-dichloro(1,2-etanediolato)bis(2,6- dimethylphenolato)tungsten(VI)","","- C18 H22 Cl2 O4 W -","- C18 H22 Cl2 O4 W -","- C36 H44 Cl4 O8 W2 -","2","1","","Ari Lehtonen; Reijo Sillanpää","On the Reactions of Bisdiolatotungsten(VI) Phenoxides. Syntheses, Characterizations, and Molecular Structures of trans-[WCl2(Diol)(OAr)2]","Inorganic Chemistry","2001","40","","6047","6051","10.1021/ic010583t","","","0.71069","MoKα","","0.0491","0.0306","","","0.0602","0.0643","","","","","","1.043","","","","has coordinates","201982","2020-10-21","18:00:00","" "4320530","8.391","0.004","15.909","0.006","8.117","0.004","102.29","0.04","109.5","0.04","87.03","0.04","997.8","0.8","293","2","294","2","","","","","","","","5","P -1","-P 1","2","","trans-dichloro(1,2-etanediolato)bis(2,6- dimethylphenolato)tungsten(VI)","","- C18 H22 Cl2 O4 W -","- C18 H22 Cl2 O4 W -","- C36 H44 Cl4 O8 W2 -","2","1","","Ari Lehtonen; Reijo Sillanpää","On the Reactions of Bisdiolatotungsten(VI) Phenoxides. Syntheses, Characterizations, and Molecular Structures of trans-[WCl2(Diol)(OAr)2]","Inorganic Chemistry","2001","40","","6047","6051","10.1021/ic010583t","","","0.71069","MoKα","","0.0741","0.038","","","0.0752","0.0871","","","","","","1.037","","","","has coordinates","201982","2020-10-21","18:00:00","" "4320531","24.634","0.003","11.508","0.004","16.465","0.002","90","","101.295","0.013","90","","4577.2","1.8","294","2","294","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","trans-dichloro(1,2-etanediolato)bis(3-bromo-2,6- dimethylphenolato)tungsten(VI) ?","","- C18 H20 Br2 Cl2 O4 W -","- C18 H20 Br2 Cl2 O4 W -","- C144 H160 Br16 Cl16 O32 W8 -","8","1","","Ari Lehtonen; Reijo Sillanpää","On the Reactions of Bisdiolatotungsten(VI) Phenoxides. Syntheses, Characterizations, and Molecular Structures of trans-[WCl2(Diol)(OAr)2]","Inorganic Chemistry","2001","40","","6047","6051","10.1021/ic010583t","","","0.71069","MoKα","","0.1206","0.0431","","","0.0779","0.0939","","","","","","0.973","","","","has coordinates","201982","2020-10-21","18:00:00","" "4320532","9.712","0.002","10.0849","0.0014","14.7712","0.0016","90","","90.437","0.013","90","","1446.7","0.4","294","2","294","2","","","","","","","","5","P 1 21 1","P 2yb","4","","trans-dichloro(1,2-etanediolato)bis(2,6- diisopropylphenolato)tungsten(VI)","","- C26 H38 Cl2 O4 W -","- C26 H38 Cl2 O4 W -","- C52 H76 Cl4 O8 W2 -","2","1","","Ari Lehtonen; Reijo Sillanpää","On the Reactions of Bisdiolatotungsten(VI) Phenoxides. Syntheses, Characterizations, and Molecular Structures of trans-[WCl2(Diol)(OAr)2]","Inorganic Chemistry","2001","40","","6047","6051","10.1021/ic010583t","","","0.71069","MoKα","","0.0377","0.027","","","0.0545","0.0572","","","","","","1.045","","","","has coordinates","201982","2020-10-21","18:00:00","" "4320533","26.657","0.006","26.657","","10.304","0.01","90","","90","","90","","7322","7","294","2","294","2","","","","","","","","5","I -4","I -4","82","","trans-dichloro(1,2-etanediolato)bis(2,6- diisopropylphenolato)tungsten(VI)","","- C26 H38 Cl2 O4 W -","- C26 H38 Cl2 O4 W -","- C208 H304 Cl16 O32 W8 -","8","1","","Ari Lehtonen; Reijo Sillanpää","On the Reactions of Bisdiolatotungsten(VI) Phenoxides. Syntheses, Characterizations, and Molecular Structures of trans-[WCl2(Diol)(OAr)2]","Inorganic Chemistry","2001","40","","6047","6051","10.1021/ic010583t","","","0.71069","MoKα","","0.1162","0.0521","","","0.1188","0.1385","","","","","","1.026","","","","has coordinates","201982","2020-10-21","18:00:00","" "4320534","20.9177","0.0002","11.7738","0.0002","19.3875","0.0002","90","","108.7","0.0006","90","","4522.71","0.1","195","2","195","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C58 H36 F8 Fe N4 -","- C58 H36 F8 Fe N4 -","- C232 H144 F32 Fe4 N16 -","4","0.5","","Reza A. Ghiladi; Ryan M. Kretzer; Ilia Guzei; Arnold L. Rheingold; Yorck-Michael Neuhold; Karen R. Hatwell; Andreas D. Zuberbühler; Kenneth D. Karlin","(F8TPP)FeII/O2 Reactivity Studies {F8TPP = Tetrakis(2,6-difluorophenyl)porphyrinate(2-)}: Spectroscopic (UV-Visible and NMR) and Kinetic Study of Solvent-Dependent (Fe/O2= 1:1 or 2:1) Reversible O2-Reduction and Ferryl Formation","Inorganic Chemistry","2001","40","","5754","5767","10.1021/ic0105866","","","0.71073","MoKα","","0.0576","0.0421","","0.1102","0.1005","","","","1.006","1.022","1.022","","","","","has coordinates","179308","2020-10-21","18:00:00","" "4320535","13.6517","0.0002","13.6475","0.0002","26.3896","0.0004","90","","89.9776","0.0004","90","","4916.69","0.13","223","2","223","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C55 H36 Cl F8 Fe N4 O -","- C48 H28 Cl F8 Fe N4 O -","- C192 H112 Cl4 F32 Fe4 N16 O4 -","4","1","","Reza A. Ghiladi; Ryan M. Kretzer; Ilia Guzei; Arnold L. Rheingold; Yorck-Michael Neuhold; Karen R. Hatwell; Andreas D. Zuberbühler; Kenneth D. Karlin","(F8TPP)FeII/O2 Reactivity Studies {F8TPP = Tetrakis(2,6-difluorophenyl)porphyrinate(2-)}: Spectroscopic (UV-Visible and NMR) and Kinetic Study of Solvent-Dependent (Fe/O2= 1:1 or 2:1) Reversible O2-Reduction and Ferryl Formation","Inorganic Chemistry","2001","40","","5754","5767","10.1021/ic0105866","","","0.71073","MoKα","","0.1186","0.0908","","","0.1808","0.1952","","","","","","1.169","","","","has coordinates","179308","2020-10-21","18:00:00","" "4320536","15.267","0.004","11.903","0.002","10.38","0.002","90","","98.68","0.02","90","","1864.7","0.7","298","2","298","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C5 H5 Br N O3 P Zn -","- C5 H4 Br N O3 P Zn -","- C40 H32 Br8 N8 O24 P8 Zn8 -","8","1","","Ponnaiyan Ayyappan; Owen R. Evans; Bruce M. Foxman; Kraig A. Wheeler; Timothy H. Warren; Wenbin Lin","New Open Frameworks Based on Metal Pyridylphosphonates","Inorganic Chemistry","2001","40","","5954","5961","10.1021/ic010609g","","","0.71073","MoKα","","0.1601","0.0767","","","0.1631","0.1982","","","","","","1.026","","","","has coordinates","179308","2020-10-21","18:00:00","" "4320537","9.6346","0.0012","7.6113","0.0009","11.9014","0.0014","90","","97.83","0.002","90","","864.61","0.18","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C5 H10 Co N O6 P -","- C5 H10 Co N O6 P -","- C20 H40 Co4 N4 O24 P4 -","4","1","","Ponnaiyan Ayyappan; Owen R. Evans; Bruce M. Foxman; Kraig A. Wheeler; Timothy H. Warren; Wenbin Lin","New Open Frameworks Based on Metal Pyridylphosphonates","Inorganic Chemistry","2001","40","","5954","5961","10.1021/ic010609g","","","0.71073","MoKα","","0.0357","0.0279","","","0.07","0.0738","","","","","","1.055","","","","has coordinates","179308","2020-10-21","18:00:00","" "4320538","7.5074","0.0008","9.2012","0.0008","11.6139","0.0013","100.368","0.011","104.665","0.01","94.691","0.009","756.58","0.14","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C10 H12 Cu2 N2 O8 P2 -","- C10 H8 Cu2 N2 O8 P2 -","- C20 H16 Cu4 N4 O16 P4 -","2","1","","Ponnaiyan Ayyappan; Owen R. Evans; Bruce M. Foxman; Kraig A. Wheeler; Timothy H. Warren; Wenbin Lin","New Open Frameworks Based on Metal Pyridylphosphonates","Inorganic Chemistry","2001","40","","5954","5961","10.1021/ic010609g","","","0.71073","MoKα","","0.1097","0.0917","","","0.2738","0.2835","","","","","","1.144","","","","has coordinates","179308","2020-10-21","18:00:00","" "4320539","15.114","0.002","15.114","0.002","13.128","0.003","90","","90","","90","","2998.9","0.9","293","2","293","2","","","","","","","","7","I 41/a :2","-I 4ad","88","","","","- C12 H13.5 Cd N2 O7 P2 S -","- C11.5 H8 Cd N2 O6.5 P2 S0.5 -","- C92 H64 Cd8 N16 O52 P16 S4 -","8","0.5","","Ponnaiyan Ayyappan; Owen R. Evans; Bruce M. Foxman; Kraig A. Wheeler; Timothy H. Warren; Wenbin Lin","New Open Frameworks Based on Metal Pyridylphosphonates","Inorganic Chemistry","2001","40","","5954","5961","10.1021/ic010609g","","","0.71073","MoKα","","0.0781","0.0364","","","0.0844","0.0954","","","","","","1.057","","","","has coordinates","176467","2020-10-21","18:00:00","" "4320540","8.3444","0.0017","10.589","0.002","14.384","0.003","90","","91.77","0.03","90","","1270.3","0.4","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C10 H10 Cd N2 O6 P2 -","- C10 H8 Cd N2 O6 P2 -","- C40 H32 Cd4 N8 O24 P8 -","4","1","","Ponnaiyan Ayyappan; Owen R. Evans; Bruce M. Foxman; Kraig A. Wheeler; Timothy H. Warren; Wenbin Lin","New Open Frameworks Based on Metal Pyridylphosphonates","Inorganic Chemistry","2001","40","","5954","5961","10.1021/ic010609g","","","0.71073","MoKα","","0.0368","0.0311","","","0.1026","0.1054","","","","","","1.316","","","","has coordinates","179308","2020-10-21","18:00:00","" "4320541","5.6057","0.0004","11.198","0.0008","14.1758","0.0011","90","","94.518","0.001","90","","887.09","0.11","198","2","198","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C14 H18 Cd N2 O6 P2 -","- C14 H18 Cd N2 O6 P2 -","- C28 H36 Cd2 N4 O12 P4 -","2","0.5","","Ponnaiyan Ayyappan; Owen R. Evans; Bruce M. Foxman; Kraig A. Wheeler; Timothy H. Warren; Wenbin Lin","New Open Frameworks Based on Metal Pyridylphosphonates","Inorganic Chemistry","2001","40","","5954","5961","10.1021/ic010609g","","","0.71073","MoKα","","0.0578","0.0304","","","0.0798","0.0947","","","","","","0.621","","","","has coordinates","179308","2020-10-21","18:00:00","" "4320542","8.6152","0.0001","11.6056","0.0002","12.7074","0.0002","90","","106.227","0.0007","90","","1219.93","0.03","173","1","173","1","","","","","","","see text","5","P 1 21/n 1","-P 2yn","14","","","","- C13 H11 N2 O3 Re -","- C13 H11 N2 O3 Re -","- C52 H44 N8 O12 Re4 -","4","1","","Paula Ferreira; Wen-Mei Xue; Éva Bencze; Eberhardt Herdtweck; Fritz E. Kühn","Bidentate Lewis Base Adducts of Methyltrioxorhenium(VII) and Their Application in Catalytic Epoxidation","Inorganic Chemistry","2001","40","","5834","5841","10.1021/ic010610f","","","0.71073","MoKα","","0.0201","0.0189","","","0.0439","0.0443","","","","","","1.108","","","","has coordinates","179308","2020-10-21","18:00:00","" "4320543","12.5566","0.005","15.896","0.006","16.839","0.006","90","","101.351","0.01","90","","3295","2","213","2","213","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","ringPd","","","- C27 H35 Cl N6 O5 P2 Pd -","- C27 H35 Cl N6 O5 P2 Pd -","- C108 H140 Cl4 N24 O20 P8 Pd4 -","4","1","","Savariraj Kingsley; Ashwani Vij; Vadapalli Chandrasekhar","Formation of a Novel Phenyldiphosphonic Acid Anion Dimer through Metal Assisted Hydrolysis of the P-N Bond","Inorganic Chemistry","2001","40","","6057","6060","10.1021/ic010624l","","","0.71073","MoKα","","0.14","0.0534","","","0.0986","0.1292","","","","","","1.03","","","","has coordinates","176467","2020-10-21","18:00:00","" "4320544","14.9901","0.001","14.4631","0.001","21.1729","0.001","90","","95.589","0.01","90","","4568.5","0.5","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","tetra-isocyanocalix[4]arene","","- C49 H56 N4 O5 -","- C49 H56 N4 O5 -","- C196 H224 N16 O20 -","4","1","","Jonathan Gagnon; Marc Drouin; Pierre D. Harvey","Upper-Rim Functionalization of Calix[4]arene by Chloro(isocyanide)gold(I) Groups: An Entry to Polymetallic Architecture","Inorganic Chemistry","2001","40","","6052","6056","10.1021/ic010640i","","","1.5406","CuKα","","0.0996","0.0855","","","0.2575","0.2783","","","","","","0.981","","","","has coordinates,has disorder","288183","2023-12-08","14:42:59","" "4320545","8.605","0.0009","15.439","0.002","12.41","0.001","90","","90.146","0.002","90","","1648.7","0.3","173","2","173","2","","","","","","","J. Jegier / Prof. W. Gladfelter","4","P 1 21/n 1","-P 2yn","14","99324a","","","- C10 H30 Ga2 N4 -","- C10 H30 Ga2 N4 -","- C40 H120 Ga8 N16 -","4","1","","Jolin A. Jegier; Bing Luo; Carrie E. Buss; Wayne L. Gladfelter","Bis(dimethylamido) Complexes of Alkyl- and Phenylgallium. Useful Precursors to the RGa2+ Synthon","Inorganic Chemistry","2001","40","","6017","6021","10.1021/ic010724r","","","0.71073","MoKα","","0.0597","0.0386","","0.0954","0.0868","","","","0.973","1.04","1.04","","","","","has coordinates,has disorder","198632","2020-10-21","18:00:00","" "4320546","13.1465","0.0004","13.1465","0.0004","48.048","0.001","90","","90","","120","","7191.6","0.3","173.2","","173.2","","","","","","","","","7","R 3 2 :H","R 3 2""","155","","","","- C9 H16 Au1.5 Cl0.5 Cu N5 O2 -","- C9 H16 Au1.25 Cl0.138667 Cu N5 O1.66667 -","- C162 H288 Au22.5 Cl2.496 Cu18 N90 O30 -","18","1","","Daniel B. Leznoff; Bao-Yu Xue; Raymond J. Batchelor; Frederick W. B. Einstein; Brian O. Patrick","Gold-Gold Interactions as Crystal Engineering Design Elements in Heterobimetallic Coordination Polymers","Inorganic Chemistry","2001","40","","6026","6034","10.1021/ic010756e","","","0.7107","MoKα","","0.0712","0.033","","0.0882","","0.04","","","0.802","","","0.802","","","","has coordinates","176467","2020-10-21","18:00:00","" "4320547","12.447","0.002","17.569","0.003","14.04","0.002","90","","112.86","0.02","90","","2829.1","0.9","173","","173.2","","","","","","","","","5","I 1 c 1","I -2yc","9","","","","- C8 H13 Au2 Cu N7 -","- C8 H13 Au2 Cu N7 -","- C64 H104 Au16 Cu8 N56 -","8","2","","Daniel B. Leznoff; Bao-Yu Xue; Raymond J. Batchelor; Frederick W. B. Einstein; Brian O. Patrick","Gold-Gold Interactions as Crystal Engineering Design Elements in Heterobimetallic Coordination Polymers","Inorganic Chemistry","2001","40","","6026","6034","10.1021/ic010756e","","","0.71069","MoKα","","","0.046","","","0.051","","","","","1.1","1.1","","","","","has coordinates","176467","2020-10-21","18:00:00","" "4320548","7.364","0.002","13.5538","0.002","17.121","0.003","90","","93.909","0.021","90","","1704.9","0.6","293","","293","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C10 H18 Au2 Cu N8 -","- C10 H18 Au2 Cu N8 -","- C40 H72 Au8 Cu4 N32 -","4","1","","Daniel B. Leznoff; Bao-Yu Xue; Raymond J. Batchelor; Frederick W. B. Einstein; Brian O. Patrick","Gold-Gold Interactions as Crystal Engineering Design Elements in Heterobimetallic Coordination Polymers","Inorganic Chemistry","2001","40","","6026","6034","10.1021/ic010756e","","","0.7093","MolybdenumKα","","","0.031","","","0.026","","","","","1.13","1.13","","","","","has coordinates","176467","2020-10-21","18:00:00","" "4320549","10.5638","0.0006","13.0914","0.0007","6.281","0.0004","90","","119.962","0.004","90","","752.54","0.08","198.2","","198.2","","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C8 H16 Au2 Cu N8 -","- C6 H16 Au0.5 Cu0.25 N6 -","- C12 H32 Au Cu0.5 N12 -","2","0.25","","Daniel B. Leznoff; Bao-Yu Xue; Raymond J. Batchelor; Frederick W. B. Einstein; Brian O. Patrick","Gold-Gold Interactions as Crystal Engineering Design Elements in Heterobimetallic Coordination Polymers","Inorganic Chemistry","2001","40","","6026","6034","10.1021/ic010756e","","","0.7107","MoKα","","0.066","0.03","","0.0737","","0.036","","","1.228","","","1.228","","","","has coordinates","176467","2020-10-21","18:00:00","" "4320550","12.1153","0.0012","12.6748","0.0012","13.8687","0.0012","64.369","0.002","81.369","0.003","67.737","0.003","1776.7","0.3","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C6 H14 O2 Zr0.5 -","- C6 H14 O2 Zr0.5 -","- C48 H112 O16 Zr4 -","8","4","","Victor W. Day; Walter G. Klemperer; Margaret Mary Pafford","Isolation and Structural Characterization of Tetra-n-propyl Zirconate in Hydrocarbon Solution and the Solid State","Inorganic Chemistry","2001","40","","5738","5746","10.1021/ic010776g","","","0.71073","MoKα","","0.16","0.0968","","0.3392","0.235","","","","1.099","1.231","1.231","","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00","" "4320551","13.7138","0.0016","15.7553","0.0018","17.831","0.002","90","","90","","90","","3852.7","0.8","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","4-Pyridylacetonitrile Pentaammineruthenium(II)","","","- C14 H38 Cl4 N14 O18 Ru2 -","- C14 H40 Cl4 N14 O18 Ru2 -","- C56 H160 Cl16 N56 O72 Ru8 -","4","0.5","","Scot Liu; Sheena Lee; Sabina Wang; Andrew Yeh; Han-Mou Gau; Ming-Yuan Shao","Oxidative Dehydrogenation on the α-Carbon of 4-Pyridylacetonitrile Complexes of Pentaammineruthenium(II)","Inorganic Chemistry","2001","40","","6139","6143","10.1021/ic000944p","","","0.71073","MoKα","","0.0904","0.0584","","","0.1479","0.1698","","","","","","1.106","","","","has coordinates","179308","2020-10-21","18:00:00","" "4320552","9.2693","0.0002","13.4776","0.0003","18.4608","0.0004","103.874","0.001","96.776","0.001","106.873","0.001","2098.47","0.08","153","2","153","2","","","","","","","","7","P -1","-P 1","2","","","","- C40 H34 Au2 Cl4 N2 P2 S3 -","- C40 H34 Au2 Cl4 N2 P2 S3 -","- C80 H68 Au4 Cl8 N4 P4 S6 -","2","1","","James D. E. T. Wilton-Ely; Annette Schier; Norbert W. Mitzel; Hubert Schmidbaur","Diversity in the Structural Chemistry of (Phosphine)gold(I) 1,3,4-Thiadiazole-2,5-dithiolates (Bismuthiolates I)","Inorganic Chemistry","2001","40","","6266","6271","10.1021/ic001345l","","","0.71073","MoKα","","0.0467","0.0431","","","0.1178","0.1216","","","","","","1.045","","","","has coordinates","179308","2020-10-21","18:00:00","" "4320553","12.5998","0.0005","15.7947","0.0006","21.3968","0.0009","90","","90.036","0.001","90","","4258.2","0.3","293","2","293","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C18 H48 Cl4 Cu F6 Mo3 P7 S4 -","- C18 H48 Cl4 Cu F6 Mo3 P7 S4 -","- C72 H192 Cl16 Cu4 F24 Mo12 P28 S16 -","4","1","","Marta Feliz; Juan M. Garriga; Rosa Llusar; Santiago Uriel; Mark G. Humphrey; Nigel T. Lucas; Marek Samoc; Barry Luther-Davies","Synthesis, Structure, and Optical-Limiting Properties of Heterobimetallic [M3CuS4] Cuboidal Clusters (M = Mo or W) with Terminal Phosphine Ligands","Inorganic Chemistry","2001","40","","6132","6138","10.1021/ic010098y","","","0.71073","MoKα","","0.0577","0.0386","","","0.0937","0.0991","","","","","","0.947","","","","has coordinates","179308","2020-10-21","18:00:00","" "4320554","13.9148","0.0007","13.9148","0.0007","13.9454","0.001","90","","90","","120","","2338.4","0.2","293","2","293","2","","","","","","","","8","P -3","-P 3","147","","","","- C24 H48 Br4 Cu F6 Mo3 P7 S4 -","- C24 H48 Br4 Cu F6.06 Mo3 P7 S4 -","- C48 H96 Br8 Cu2 F12.12 Mo6 P14 S8 -","2","0.333333","","Marta Feliz; Juan M. Garriga; Rosa Llusar; Santiago Uriel; Mark G. Humphrey; Nigel T. Lucas; Marek Samoc; Barry Luther-Davies","Synthesis, Structure, and Optical-Limiting Properties of Heterobimetallic [M3CuS4] Cuboidal Clusters (M = Mo or W) with Terminal Phosphine Ligands","Inorganic Chemistry","2001","40","","6132","6138","10.1021/ic010098y","","","0.71073","MoKα","","0.0705","0.0441","","","0.0993","0.1114","","","","","","0.982","","","","has coordinates","179308","2020-10-21","18:00:00","" "4320555","12.7906","0.0006","23.5941","0.0011","16.3734","0.0007","90","","90.359","0.001","90","","4941.1","0.4","293","2","293","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C25 H48 Br4 Cu F6 P7 S4 W3 -","- C25 H48 Br4 Cu F6 P7 S4 W3 -","- C100 H192 Br16 Cu4 F24 P28 S16 W12 -","4","1","","Marta Feliz; Juan M. Garriga; Rosa Llusar; Santiago Uriel; Mark G. Humphrey; Nigel T. Lucas; Marek Samoc; Barry Luther-Davies","Synthesis, Structure, and Optical-Limiting Properties of Heterobimetallic [M3CuS4] Cuboidal Clusters (M = Mo or W) with Terminal Phosphine Ligands","Inorganic Chemistry","2001","40","","6132","6138","10.1021/ic010098y","","","0.71073","MoKα","","0.0784","0.0459","","","0.1053","0.1159","","","","","","1.054","","","","has coordinates","179308","2020-10-21","18:00:00","" "4320556","13.5499","0.001","14.0334","0.001","18.4296","0.0013","92.984","0.002","104.68","0.002","118.056","0.002","2930.8","0.4","160","2","160","2","","","","","","","","6","P -1","-P 1","2","","","","- C56 H148 Ge Mo6 O70 S16 -","- C56 H56 Ge Mo6 O70 S16 -","- C56 H56 Ge Mo6 O70 S16 -","1","0.5","","Mi-Sook Seo; Vladimir P. Fedin; Maxim N. Sokolov; Rita Hernandez-Molina; Achim Sokolowski; Mark R. J. Elsegood; William Clegg; A. Geoffrey Sykes","Preparation, Structure, and Reactivity of Ge-Containing Heterometallic Cube Derivatives of [M3E4(H2O)9]4+ (M = Mo, W; E = S, Se)","Inorganic Chemistry","2001","40","","6115","6122","10.1021/ic010256l","","","0.71073","MoKα","","0.0752","0.0595","","","0.1372","0.1438","","","","","","1.093","","","","has coordinates,has disorder","179308","2020-10-21","18:00:00","" "4320557","13.6001","0.0013","13.979","0.0014","18.429","0.0018","92.715","0.002","104.859","0.002","117.882","0.002","2935.4","0.5","160","2","160","2","","","","","","","","6","P -1","-P 1","2","","","","- C56 H82 Ge O65 S16 W6 -","- C56 H56 Ge O65 S16 W6 -","- C56 H56 Ge O65 S16 W6 -","1","0.5","","Mi-Sook Seo; Vladimir P. Fedin; Maxim N. Sokolov; Rita Hernandez-Molina; Achim Sokolowski; Mark R. J. Elsegood; William Clegg; A. Geoffrey Sykes","Preparation, Structure, and Reactivity of Ge-Containing Heterometallic Cube Derivatives of [M3E4(H2O)9]4+ (M = Mo, W; E = S, Se)","Inorganic Chemistry","2001","40","","6115","6122","10.1021/ic010256l","","","0.71073","MoKα","","0.1078","0.0816","","","0.2025","0.2097","","","","","","1.1","","","","has coordinates,has disorder","179308","2020-10-21","18:00:00","" "4320558","12.3558","0.0005","34.0069","0.0013","11.9249","0.0005","90","","92.437","0.002","90","","5006.1","0.3","160","2","160","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C56 H108 Ge Mo6 O50 S8 Se8 -","- C56 H108 Ge Mo6 O50 S8 Se8 -","- C112 H216 Ge2 Mo12 O100 S16 Se16 -","2","0.5","","Mi-Sook Seo; Vladimir P. Fedin; Maxim N. Sokolov; Rita Hernandez-Molina; Achim Sokolowski; Mark R. J. Elsegood; William Clegg; A. Geoffrey Sykes","Preparation, Structure, and Reactivity of Ge-Containing Heterometallic Cube Derivatives of [M3E4(H2O)9]4+ (M = Mo, W; E = S, Se)","Inorganic Chemistry","2001","40","","6115","6122","10.1021/ic010256l","","","0.71073","MoKα","","0.0778","0.0377","","","0.0711","0.0762","","","","","","0.873","","","","has coordinates","179308","2020-10-21","18:00:00","" "4320559","14.863","0.002","14.863","0.002","9.3134","0.0019","90","","90","","120","","1781.8","0.5","293","2","293","2","","","","","","","","6","P -3","-P 3","147","","","","- C46 H108 Cr2 N30 Ni3 O11 -","- C46.02 H90 Cr2 N32.04 Ni3 O13.02 -","- C46.02 H90 Cr2 N32.04 Ni3 O13.02 -","1","0.166667","","Hui-Zhong Kou; Song Gao; Ou Bai; Zhe-Ming Wang","Magnetic Characteristics of New Cyano-Bridged Two-Dimensional Honeycomb-Like Bimetallic Assemblies Containing Ni(II)-N\τbC-Cr(III) or Ni(II)-N\τbC-Cr(I) Linkages","Inorganic Chemistry","2001","40","","6287","6294","10.1021/ic010282j","","","0.71073","MoKα","","0.0917","0.063","","","0.1572","0.1693","","","","","","1.147","","","","has coordinates","179308","2020-10-21","18:00:00","" "4320560","25.929","0.005","15.442","0.003","19.553","0.004","90","","106.21","0.03","90","","7518","3","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C42 H92 Cr2 N30 Ni3 O7 -","- C42 H78 Cr2 N30 Ni3 O7 -","- C168 H312 Cr8 N120 Ni12 O28 -","4","0.5","","Hui-Zhong Kou; Song Gao; Ou Bai; Zhe-Ming Wang","Magnetic Characteristics of New Cyano-Bridged Two-Dimensional Honeycomb-Like Bimetallic Assemblies Containing Ni(II)-N\τbC-Cr(III) or Ni(II)-N\τbC-Cr(I) Linkages","Inorganic Chemistry","2001","40","","6287","6294","10.1021/ic010282j","","","0.71073","MoKα","","0.1051","0.0613","","","0.1642","0.1912","","","","","","0.91","","","","has coordinates","179308","2020-10-21","18:00:00","" "4320561","14.919","0.002","14.919","0.002","9.5246","0.0019","90","","90","","120","","1835.9","0.5","293","2","293","2","","","","","","","","6","P -3","-P 3","147","","","","- C48 H108 Cr2 N30 Ni3 O9 -","- C48 H90 Cr2 N30 Ni3 O9 -","- C48 H90 Cr2 N30 Ni3 O9 -","1","0.166667","","Hui-Zhong Kou; Song Gao; Ou Bai; Zhe-Ming Wang","Magnetic Characteristics of New Cyano-Bridged Two-Dimensional Honeycomb-Like Bimetallic Assemblies Containing Ni(II)-N\τbC-Cr(III) or Ni(II)-N\τbC-Cr(I) Linkages","Inorganic Chemistry","2001","40","","6287","6294","10.1021/ic010282j","","","0.71073","MoKα","","0.0937","0.0721","","","0.1749","0.1878","","","","","","0.856","","","","has coordinates","179308","2020-10-21","18:00:00","" "4320562","17.402","0.002","4.2054","0.0006","21.227","0.003","90","","109.524","0.002","90","","1464.1","0.3","298","2","298","2","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","","","- Bi14.8 K2.8 Se28 Sn4.4 -","- Bi14.8048 K2.8004 Se28 Sn4.4024 -","- Bi14.8048 K2.8004 Se28 Sn4.4024 -","1","0.25","","Antje Mrotzek; Lykourgos Iordanidis; Mercouri G. Kanatzidis","New Members of the Homologous Series Am[M6Se8]m[M5+nSe9+n]: The Quaternary Phases A1-xM'3-xBi11+xSe20 and A1+xM'3-2xBi7+xSe14 (A = K, Rb, Cs; M' = Sn, Pb)","Inorganic Chemistry","2001","40","","6204","6211","10.1021/ic010285w","","","0.71073","MoKα","","0.0575","0.0356","","","0.0609","0.064","","","","","","1.195","","","","has coordinates","176467","2020-10-21","18:00:00","" "4320563","16.1389","0.0019","4.147","0.0005","17.009","0.002","90","","116.881","0.002","90","","1015.4","0.2","298","2","298","2","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","","","- Bi11.3 K0.7 Se20 Sn2.7 -","- Bi11.3 K0.696 Se20 Sn2.7 -","- Bi11.3 K0.696 Se20 Sn2.7 -","1","0.25","","Antje Mrotzek; Lykourgos Iordanidis; Mercouri G. Kanatzidis","New Members of the Homologous Series Am[M6Se8]m[M5+nSe9+n]: The Quaternary Phases A1-xM'3-xBi11+xSe20 and A1+xM'3-2xBi7+xSe14 (A = K, Rb, Cs; M' = Sn, Pb)","Inorganic Chemistry","2001","40","","6204","6211","10.1021/ic010285w","","","0.71073","MoKα","","0.0461","0.032","","","0.0525","0.0539","","","","","","0.995","","","","has coordinates","176467","2020-10-21","18:00:00","" "4320564","16.038","0.002","4.154","0.0006","17.028","0.003","90","","116.517","0.002","90","","1015.1","0.3","300","2","300","2","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","","","- Bi5.82 Rb0.18 Se10 Sn1.18 -","- Bi5.817 Rb0.182 Se10 Sn1.183 -","- Bi11.634 Rb0.364 Se20 Sn2.366 -","2","0.5","","Antje Mrotzek; Lykourgos Iordanidis; Mercouri G. Kanatzidis","New Members of the Homologous Series Am[M6Se8]m[M5+nSe9+n]: The Quaternary Phases A1-xM'3-xBi11+xSe20 and A1+xM'3-2xBi7+xSe14 (A = K, Rb, Cs; M' = Sn, Pb)","Inorganic Chemistry","2001","40","","6204","6211","10.1021/ic010285w","","","0.71073","MoKα","","0.0607","0.054","","","0.1416","0.1468","","","","","","1.117","","","","has coordinates","179308","2020-10-21","18:00:00","" "4320565","16.1","0.003","4.136","0.0008","17.077","0.003","90","","116.79","0.03","90","","1015.1","0.4","298","2","298","2","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","","","- Bi11.54 Cs0.46 Se20 Sn2.46 -","- Bi11.5404 Cs0.46 Se20 Sn2.4602 -","- Bi11.5404 Cs0.46 Se20 Sn2.4602 -","1","0.25","","Antje Mrotzek; Lykourgos Iordanidis; Mercouri G. Kanatzidis","New Members of the Homologous Series Am[M6Se8]m[M5+nSe9+n]: The Quaternary Phases A1-xM'3-xBi11+xSe20 and A1+xM'3-2xBi7+xSe14 (A = K, Rb, Cs; M' = Sn, Pb)","Inorganic Chemistry","2001","40","","6204","6211","10.1021/ic010285w","","","0.71073","MoKα","","0.0668","0.0526","","","0.1071","0.1119","","","","","","1.151","","","","has coordinates","179308","2020-10-21","18:00:00","" "4320566","7.7535","0.0001","9.4307","0.0003","16.2905","0.0005","94.159","0.0014","100.06","0.0018","100.915","0.0018","1144.75","0.05","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C12 H22 Cr N8 O6 Sm -","- C12 H22 Cr N8 O6 Sm -","- C24 H44 Cr2 N16 O12 Sm2 -","2","1","","Hui-Zhong Kou; Song Gao; Xianglin Jin","Synthesis, Crystal Structure, and Magnetic Properties of Two Cyano-Bridged Bimetallic 4f-3d Arrays with One-Dimensional Chain and Two-Dimensional Brick Wall Molecular Structures","Inorganic Chemistry","2001","40","","6295","6300","10.1021/ic0103042","","","0.71073","MoKα","","0.0365","0.033","","","0.0808","0.0828","","","","","","1.079","","","","has coordinates","179308","2020-10-21","18:00:00","" "4320567","13.161","0.003","12.928","0.003","19.174","0.004","90","","109.82","0.03","90","","3069.1","1.3","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C18 H34 Cr N10 O7 Sm -","- C18 H34 Cr N10 O7 Sm -","- C72 H136 Cr4 N40 O28 Sm4 -","4","1","","Hui-Zhong Kou; Song Gao; Xianglin Jin","Synthesis, Crystal Structure, and Magnetic Properties of Two Cyano-Bridged Bimetallic 4f-3d Arrays with One-Dimensional Chain and Two-Dimensional Brick Wall Molecular Structures","Inorganic Chemistry","2001","40","","6295","6300","10.1021/ic0103042","","","0.71073","MoKα","","0.0564","0.0372","","","0.0826","0.0895","","","","","","1.006","","","","has coordinates","179308","2020-10-21","18:00:00","" "4320568","6.7319","0.0008","10.2542","0.0013","10.423","0.004","85.09","0.02","72.806","0.018","89.233","0.01","684.8","0.3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C10 H16 Cl Cu0.5 N2 O6 -","- C10 H16 Cl Cu0.5 N2 O6 -","- C20 H32 Cl2 Cu N4 O12 -","2","1","","Bao-Qing Ma; Hao-Ling Sun; Song Gao; Guang-Xian Xu","Variable Dimensionality from Mononuclear and Trinuclear to One and Two Dimensions: A Series of Copper(II) Compounds with 4,4'-Dipyridine Dioxide","Inorganic Chemistry","2001","40","","6247","6253","10.1021/ic0104712","","","0.71073","MoKα","","0.0328","0.0288","","","0.0771","0.0794","","","","","","1.073","","","","has coordinates","176467","2020-10-21","18:00:00","" "4320569","8.9729","0.0005","11.6632","0.0011","14.3691","0.0012","104.719","0.003","97.282","0.005","98.254","0.005","1418.3","0.2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C30 H24 Cl Cu0.5 N6 O10 -","- C30 H24 Cl Cu0.5 N6 O10 -","- C60 H48 Cl2 Cu N12 O20 -","2","1","","Bao-Qing Ma; Hao-Ling Sun; Song Gao; Guang-Xian Xu","Variable Dimensionality from Mononuclear and Trinuclear to One and Two Dimensions: A Series of Copper(II) Compounds with 4,4'-Dipyridine Dioxide","Inorganic Chemistry","2001","40","","6247","6253","10.1021/ic0104712","","","0.71073","MoKα","","0.1116","0.0644","","","0.1345","0.1524","","","","","","1.037","","","","has coordinates","176467","2020-10-21","18:00:00","" "4320570","18.3842","0.0008","16.5424","0.0004","20.9112","0.0008","90","","110.453","0.0016","90","","5958.6","0.4","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C100 H104 Cl6 Cu3 N20 O56 -","- C100 H80 Cl6 Cu3 N20 O56 -","- C200 H160 Cl12 Cu6 N40 O112 -","2","0.5","","Bao-Qing Ma; Hao-Ling Sun; Song Gao; Guang-Xian Xu","Variable Dimensionality from Mononuclear and Trinuclear to One and Two Dimensions: A Series of Copper(II) Compounds with 4,4'-Dipyridine Dioxide","Inorganic Chemistry","2001","40","","6247","6253","10.1021/ic0104712","","","0.71073","MoKα","","0.1281","0.0731","","","0.192","0.234","","","","","","1.014","","","","has coordinates","179308","2020-10-21","18:00:00","" "4320571","5.354","0.0002","11.8921","0.0004","15.2705","0.0006","110.739","0.002","94.0425","0.0019","99.235","0.0018","888.91","0.06","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C30 H32 Cl2 Cu N6 O18 -","- C30 H32 Cl2 Cu N6 O18 -","- C30 H32 Cl2 Cu N6 O18 -","1","0.5","","Bao-Qing Ma; Hao-Ling Sun; Song Gao; Guang-Xian Xu","Variable Dimensionality from Mononuclear and Trinuclear to One and Two Dimensions: A Series of Copper(II) Compounds with 4,4'-Dipyridine Dioxide","Inorganic Chemistry","2001","40","","6247","6253","10.1021/ic0104712","","","0.71073","MoKα","","0.0574","0.0421","","","0.1033","0.1105","","","","","","1.031","","","","has coordinates","179308","2020-10-21","18:00:00","" "4320572","6.8319","0.0002","11.0582","0.0003","21.9995","0.0007","90","","97.2546","0.0018","90","","1648.72","0.08","293","2","293","2","","","","","","","","6","P 1 2/n 1","-P 2yac","13","","","","- C30 H28 Cl2 Cu N6 O14 -","- C30 H28 Cl2 Cu N6 O14 -","- C60 H56 Cl4 Cu2 N12 O28 -","2","0.5","","Bao-Qing Ma; Hao-Ling Sun; Song Gao; Guang-Xian Xu","Variable Dimensionality from Mononuclear and Trinuclear to One and Two Dimensions: A Series of Copper(II) Compounds with 4,4'-Dipyridine Dioxide","Inorganic Chemistry","2001","40","","6247","6253","10.1021/ic0104712","","","0.71073","MoKα","","0.1167","0.0545","","","0.1199","0.1421","","","","","","1.018","","","","has coordinates","179308","2020-10-21","18:00:00","" "4320573","28.419","0.014","9.572","0.003","24.162","0.013","90","","90.78","","90","","6572","5","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C33 H23 N O12.5 Zn3 -","- C33 H23 N O12.5 Zn3 -","- C264 H184 N8 O100 Zn24 -","8","1","","Jun Tao; Jian-Xin Shi; Ming-Liang Tong; Xiao-Xia Zhang; Xiao-Ming Chen","A New Inorganic-Organic Photoluminescent Material Constructed with Helical [Zn3(μ3-OH)(μ2-OH)] Chains","Inorganic Chemistry","2001","40","","6328","6330","10.1021/ic010472u","","","0.71073","MoKα","","0.0894","0.0464","","","0.0866","0.0999","","","","","","1.016","","","","has coordinates","176467","2020-10-21","18:00:00","" "4320574","12.058","0.002","19.54","0.003","22.836","0.004","90","","92.964","0.01","90","","5373.3","1.5","163","2","163","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C90 H78 Au2 Cl20 O12 P4 Pt2 S4 -","- C90 H78 Au2 Cl20 O12 P4 Pt2 S4 -","- C180 H156 Au4 Cl40 O24 P8 Pt4 S8 -","2","0.5","","José Vicente; María Teresa Chicote; Sonia Huertas; Peter G. Jones; Axel K. Fischer","Heterodi- [MAg, MAu (M = Pd, Pt)], Tri- [PdAg2, PtAg2, PtAu2, Pt2M (M = Ni, Pt, Cd, Hg)], and Tetranuclear (Pt2Ag2, Pt2Au2) 1,1-Ethylenedithiolato Complexes","Inorganic Chemistry","2001","40","","6193","6200","10.1021/ic010488k","","","0.71073","MoKα","","0.0654","0.038","","","0.0591","0.0658","","","","","","1.028","","","","has coordinates","179308","2020-10-21","18:00:00","" "4320575","12.1896","0.001","12.3262","0.001","15.587","0.0012","78.878","0.003","77.18","0.003","74.962","0.003","2182.5","0.3","143","2","143","2","","","","","","","","8","P -1","-P 1","2","","","","- C90 H84 Au2 Cl2 O14 P4 Pt2 S4 -","- C90 H84 Au2 Cl2 O14 P4 Pt2 S4 -","- C90 H84 Au2 Cl2 O14 P4 Pt2 S4 -","1","0.5","","José Vicente; María Teresa Chicote; Sonia Huertas; Peter G. Jones; Axel K. Fischer","Heterodi- [MAg, MAu (M = Pd, Pt)], Tri- [PdAg2, PtAg2, PtAu2, Pt2M (M = Ni, Pt, Cd, Hg)], and Tetranuclear (Pt2Ag2, Pt2Au2) 1,1-Ethylenedithiolato Complexes","Inorganic Chemistry","2001","40","","6193","6200","10.1021/ic010488k","","","0.71073","MoKα","","0.0377","0.026","","","0.0578","0.0605","","","","","","1","","","","has coordinates,has disorder","188980","2020-10-21","18:00:00","" "4320576","12.2246","0.001","13.1026","0.001","13.6811","0.001","71.672","0.01","88.366","0.01","77.556","0.01","2029.5","0.3","173","2","173","2","","","","","","","","8","P -1","-P 1","2","","","","- C84 H72 Cl2 Cu O12 P4 Pt2 S4 -","- C84 H72 Cl2 Cu O12 P4 Pt2 S4 -","- C84 H72 Cl2 Cu O12 P4 Pt2 S4 -","1","0.5","","José Vicente; María Teresa Chicote; Sonia Huertas; Peter G. Jones; Axel K. Fischer","Heterodi- [MAg, MAu (M = Pd, Pt)], Tri- [PdAg2, PtAg2, PtAu2, Pt2M (M = Ni, Pt, Cd, Hg)], and Tetranuclear (Pt2Ag2, Pt2Au2) 1,1-Ethylenedithiolato Complexes","Inorganic Chemistry","2001","40","","6193","6200","10.1021/ic010488k","","","0.71073","MoKα","","0.1055","0.0592","","","0.1244","0.1377","","","","","","0.748","","","","has coordinates","179308","2020-10-21","18:00:00","" "4320577","12.28","0.003","13.531","0.003","25.461","0.005","90","","90","","90","","4230.6","1.6","230","","230","","","","","","","","?","5","C c 2 a","C -2ac -2ac","41","","","","- C16 H10 Cu2 F12 O4 -","- C16 H10 Cu2 F12 O4 -","- C128 H80 Cu16 F96 O32 -","8","","","T.-Y. Chen; J. Vaissermann; P. Doppelt","Formation Study and X-ray Structures of Dinuclear β-Diketonate Copper(I) Complexes with Conjugated Ene-Yne Lewis Base. Implications for the Use of (hfac)Cu(MHY) as a Precursor for Copper CVD","Inorganic Chemistry","2001","40","","6167","6171","10.1021/ic010502t","","","0.71069","MoKα","","","0.0478","","","0.0485","","","","","2.3253","2.3253","","","","","has coordinates","211332","2020-10-21","18:00:00","" "4320578","11.112","0.003","13.472","0.004","15.747","0.003","94.95","0.02","98.15","0.02","100.27","0.02","2281","1","298","","298","","","","","","","","?","5","P -1","-P 1","2","","","","- C17 H12 Cu2 F12 O4 -","- C17 H9.5 Cu2 F12 O4 -","- C68 H38 Cu8 F48 O16 -","4","2","","T.-Y. Chen; J. Vaissermann; P. Doppelt","Formation Study and X-ray Structures of Dinuclear β-Diketonate Copper(I) Complexes with Conjugated Ene-Yne Lewis Base. Implications for the Use of (hfac)Cu(MHY) as a Precursor for Copper CVD","Inorganic Chemistry","2001","40","","6167","6171","10.1021/ic010502t","","","0.71069","MoKα","","","0.0495","","","0.0499","","","","","3.2","3.2","","","","","has coordinates","211332","2020-10-21","18:00:00","" "4320579","10.1782","0.0016","11.1262","0.0017","28.835","0.005","90","","99.35","0.003","90","","3222","0.9","171","2","171","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","TpZnS2Bu","Hydrotris(5-methyl-3-phenylpyrazol-1-yl)borato)-zink-2-butylthiolat","","- C34 H37 B N6 S Zn -","- C34 H37 B N6 S Zn -","- C136 H148 B4 N24 S4 Zn4 -","4","1","","Udo Brand; Michael Rombach; Jan Seebacher; Heinrich Vahrenkamp","Functional Modeling of Cobalamine-Independent Methionine Synthase with Pyrazolylborate-Zinc-Thiolate Complexes","Inorganic Chemistry","2001","40","","6151","6157","10.1021/ic0105112","","","0.71073","MoKα","","0.0875","0.0484","","","0.1238","0.1408","","","","","","1.005","","","","has coordinates","179308","2020-10-21","18:00:00","" "4320580","19.461","0.003","11.1864","0.0014","29.978","0.004","90","","96.426","0.003","90","","6485.2","1.6","453","2","453","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","Y","Hydro-tris(3-Phenyl-5-Methyl-Pyrazol-1-yl-borat)Zink-Thiophenolat","","- C36 H33 B N6 S Zn -","- C36 H33 B N6 S Zn -","- C288 H264 B8 N48 S8 Zn8 -","8","2","","Udo Brand; Michael Rombach; Jan Seebacher; Heinrich Vahrenkamp","Functional Modeling of Cobalamine-Independent Methionine Synthase with Pyrazolylborate-Zinc-Thiolate Complexes","Inorganic Chemistry","2001","40","","6151","6157","10.1021/ic0105112","","","0.71073","MoKα","","0.2508","0.0945","","","0.2392","0.3545","","","","","","0.913","","","","has coordinates","179308","2020-10-21","18:00:00","" "4320581","32.013","0.006","16.694","0.003","11.68","0.002","90","","90.66","0.03","90","","6241.7","1.9","153","2","153","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","(TpPhe,MeZn)2HCYS","Bis(Hydrotris(5-methyl-3-phenyl-pyrazol-1-yl)borato-zinc-homocysteinate","","- C64 H63 B2 N13 O4 S Zn2 -","- C64 H63 B2 N13 O4 S Zn2 -","- C256 H252 B8 N52 O16 S4 Zn8 -","4","1","","Udo Brand; Michael Rombach; Jan Seebacher; Heinrich Vahrenkamp","Functional Modeling of Cobalamine-Independent Methionine Synthase with Pyrazolylborate-Zinc-Thiolate Complexes","Inorganic Chemistry","2001","40","","6151","6157","10.1021/ic0105112","","","0.71073","MoKα","","0.1157","0.0527","","","0.1128","0.1308","","","","","","0.87","","","","has coordinates","179308","2020-10-21","18:00:00","" "4320582","9.8778","0.0008","18.4038","0.0016","25.762","0.002","90","","90","0.002","90","","4683.2","0.7","153","2","153","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","TpPhe,MeZnMet","Hydrotris(5-methyl-3-phenyl-pyrazol-1-yl)borato-zinc-methioninat","","- C50 H53 B N7 O2 S Zn -","- C50 H53 B N7 O2 S Zn -","- C200 H212 B4 N28 O8 S4 Zn4 -","4","1","","Udo Brand; Michael Rombach; Jan Seebacher; Heinrich Vahrenkamp","Functional Modeling of Cobalamine-Independent Methionine Synthase with Pyrazolylborate-Zinc-Thiolate Complexes","Inorganic Chemistry","2001","40","","6151","6157","10.1021/ic0105112","","","0.71073","MoKα","","0.2014","0.0644","","","0.1342","0.1675","","","","","","0.812","","","","has coordinates","179308","2020-10-21","18:00:00","" "4320583","11.483","0.005","14.166","0.005","18.279","0.005","90","0.005","90","0.005","90","0.005","2973.4","1.9","200","","200","","","","","","","","","6","P 21 n b","P -2bc 2a","33","","","","- C20 H40 Cl2 N6 O10 Zn2 -","- C20 H40 Cl2 N6 O10 Zn2 -","- C80 H160 Cl8 N24 O40 Zn8 -","4","1","","Paolo Dapporto; Mauro Formica; Vieri Fusi; Luca Giorgi; Mauro Micheloni; Paola Paoli; Roberto Pontellini; Patrizia Rossi","Addition of Small Molecules by Zn(II) and Cu(II) Dinuclear Complexes Obtained by an Amino-Phenolic Ligand. Crystal Structures of the Dinuclear Zinc Complex Assembling Butanolate and Azide Anions","Inorganic Chemistry","2001","40","","6186","6192","10.1021/ic0105415","","","1.5418","CuKα","","0.0701","0.0617","","","0.1528","0.1611","","","","","","0.978","","","","has coordinates","179308","2020-10-21","18:00:00","" "4320584","14.46","0.003","12.814","0.003","14.875","0.003","90","","105.35","0.02","90","","2657.9","1","298","","298","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C16 H31 Cl2 N9 O9 Zn2 -","- C16 H31 Cl2 N9 O9 Zn2 -","- C64 H124 Cl8 N36 O36 Zn8 -","4","0.5","","Paolo Dapporto; Mauro Formica; Vieri Fusi; Luca Giorgi; Mauro Micheloni; Paola Paoli; Roberto Pontellini; Patrizia Rossi","Addition of Small Molecules by Zn(II) and Cu(II) Dinuclear Complexes Obtained by an Amino-Phenolic Ligand. Crystal Structures of the Dinuclear Zinc Complex Assembling Butanolate and Azide Anions","Inorganic Chemistry","2001","40","","6186","6192","10.1021/ic0105415","","","1.5418","CuKα","","0.0783","0.0575","","","0.1585","0.1806","","","","","","0.629","","","","has coordinates","179308","2020-10-21","18:00:00","" "4320585","16.3157","0.0013","8.588","0.0006","21.9227","0.0017","90","","100.134","0.002","90","","3023.9","0.4","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C30 H30 N12 O2 -","- C30 H30 N12 O2 -","- C120 H120 N48 O8 -","4","1","","Daniel L. Reger; Terri D. Wright; Radu F. Semeniuc; T. Christian Grattan; Mark D. Smith","Supramolecular Structures of Cadmium(II) Coordination Polymers: A New Class of Ligands Formed by Linking Tripodal Tris(pyrazolyl)methane Units","Inorganic Chemistry","2001","40","","6212","6219","10.1021/ic010574k","","","0.71073","MoKα","","0.073","0.0433","","","0.102","0.1119","","","","","","0.982","","","","has coordinates","201982","2020-10-21","18:00:00","" "4320586","9.1965","0.0009","12.9185","0.0012","12.7306","0.0012","90","","104.099","0.002","90","","1466.9","0.2","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C30 H30 N12 O2 -","- C30 H30 N12 O2 -","- C60 H60 N24 O4 -","2","0.5","","Daniel L. Reger; Terri D. Wright; Radu F. Semeniuc; T. Christian Grattan; Mark D. Smith","Supramolecular Structures of Cadmium(II) Coordination Polymers: A New Class of Ligands Formed by Linking Tripodal Tris(pyrazolyl)methane Units","Inorganic Chemistry","2001","40","","6212","6219","10.1021/ic010574k","","","0.71073","MoKα","","0.0575","0.0486","","","0.1413","0.1495","","","","","","1.056","","","","has coordinates","179308","2020-10-21","18:00:00","" "4320587","23.023","0.003","12.2588","0.0014","18.119","0.002","90","","121.281","0.002","90","","4370.4","0.9","210","2","210","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C36 H39 B2 Cd F8 N15 O2 -","- C36 H39 B2 Cd F8 N15 O2 -","- C144 H156 B8 Cd4 F32 N60 O8 -","4","0.5","","Daniel L. Reger; Terri D. Wright; Radu F. Semeniuc; T. Christian Grattan; Mark D. Smith","Supramolecular Structures of Cadmium(II) Coordination Polymers: A New Class of Ligands Formed by Linking Tripodal Tris(pyrazolyl)methane Units","Inorganic Chemistry","2001","40","","6212","6219","10.1021/ic010574k","","","0.71073","MoKα","","0.0317","0.0273","","","0.0737","0.0762","","","","","","1.055","","","","has coordinates","179308","2020-10-21","18:00:00","" "4320588","6.3801","0.0006","19.874","0.002","12.9164","0.0008","90","","101.034","0.005","90","","1607.5","0.2","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C30 H28 Cl2 Cu N6 O13 -","- C30 H28 Cl2 Cu N6 O13 -","- C60 H56 Cl4 Cu2 N12 O26 -","2","0.5","","David M. L. Goodgame; David A. Grachvogel; Andrew J. P. White; David J. Williams","Heterometallic Network Complexes of the Ambidentate, Extended-Reach Linear Ligand 1-(4'-pyridyl)pyridin-4-one","Inorganic Chemistry","2001","40","","6180","6185","10.1021/ic010590h","","","1.54178","CuKα","","0.0495","0.0422","","0.1149","0.1079","","","","1.051","1.086","1.086","","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00","" "4320589","34.565","0.007","17.06","0.002","12.646","0.002","90","","99.88","0.02","90","","7346","2","203","2","203","2","","","","","","","","7","C 1 2 1","C 2y","5","","","","- C91 H88 Co3 Dy2 N28 O29 S8 -","- C91 H76 Co3 Dy2 N28 O29 S8 -","- C182 H152 Co6 Dy4 N56 O58 S16 -","2","0.5","","David M. L. Goodgame; David A. Grachvogel; Andrew J. P. White; David J. Williams","Heterometallic Network Complexes of the Ambidentate, Extended-Reach Linear Ligand 1-(4'-pyridyl)pyridin-4-one","Inorganic Chemistry","2001","40","","6180","6185","10.1021/ic010590h","","","0.71073","MoKα","","0.0905","0.0633","","0.1729","0.1482","","","","1.075","1.138","1.138","","","","","has coordinates","176467","2020-10-21","18:00:00","" "4320590","3.8059","0.0007","10.448","0.002","28.29","0.007","90","","90.58","0.02","90","","1124.9","0.4","203","2","203","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C12 H12 N2 O3 -","- C12 H12 N2 O3 -","- C48 H48 N8 O12 -","4","1","","David M. L. Goodgame; David A. Grachvogel; Andrew J. P. White; David J. Williams","Heterometallic Network Complexes of the Ambidentate, Extended-Reach Linear Ligand 1-(4'-pyridyl)pyridin-4-one","Inorganic Chemistry","2001","40","","6180","6185","10.1021/ic010590h","","","1.54178","CuKα","","0.082","0.0547","","0.1629","0.1345","","","","1.045","1.093","1.093","","","","","has coordinates,has disorder","179308","2020-10-21","18:00:00","" "4320591","29.345","0.0009","8.212","0.0002","18.41","0.0007","90","","116.557","0.002","90","","3968.4","0.2","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C21 H17 O8 P -","- C21 H17 O8 P -","- C168 H136 O64 P8 -","8","1","","A. Chandrasekaran; Roberta O. Day; Robert R. Holmes","Coordination of Carbonyl and Carboxyl Oxygen Atoms with Phosphorus in the Presence of Hydrogen Bonding. P-O Donor Action","Inorganic Chemistry","2001","40","","6229","6238","10.1021/ic010600e","","","0.71073","MoKα","","0.0525","0.0407","","","0.1144","0.1214","","","","","","1.344","","","","has coordinates","179308","2020-10-21","18:00:00","" "4320592","7.9711","0.0002","8.3909","0.0002","9.5169","0.0003","99.1945","0.001","108.748","0.0011","110.617","0.0014","536.74","0.03","293","2","293","2","","","","","","","","5","P 1","P 1","1","","","","- C22 H15 Cl2 O6 P -","- C22 H15 Cl2 O6 P -","- C22 H15 Cl2 O6 P -","1","1","","A. Chandrasekaran; Roberta O. Day; Robert R. Holmes","Coordination of Carbonyl and Carboxyl Oxygen Atoms with Phosphorus in the Presence of Hydrogen Bonding. P-O Donor Action","Inorganic Chemistry","2001","40","","6229","6238","10.1021/ic010600e","","","0.71073","MoKα","","0.0414","0.0401","","","0.1123","0.1143","","","","","","1.414","","","","has coordinates","179308","2020-10-21","18:00:00","" "4320593","26.1056","0.0006","8.5047","0.0003","19.1412","0.0006","90","","131.457","0.0014","90","","3184.98","0.18","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C19 H15 O3 P -","- C19 H15 O3 P -","- C152 H120 O24 P8 -","8","1","","A. Chandrasekaran; Roberta O. Day; Robert R. Holmes","Coordination of Carbonyl and Carboxyl Oxygen Atoms with Phosphorus in the Presence of Hydrogen Bonding. P-O Donor Action","Inorganic Chemistry","2001","40","","6229","6238","10.1021/ic010600e","","","0.71073","MoKα","","0.0627","0.0471","","","0.1325","0.14","","","","","","1.503","","","","has coordinates","201982","2020-10-21","18:00:00","" "4320594","5.6355","0.0003","11.1435","0.0006","13.2057","0.0007","95.596","0.003","100.257","0.003","100.286","0.003","795.75","0.07","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C19 H15 O2 P -","- C19 H15 O2 P -","- C38 H30 O4 P2 -","2","1","","A. Chandrasekaran; Roberta O. Day; Robert R. Holmes","Coordination of Carbonyl and Carboxyl Oxygen Atoms with Phosphorus in the Presence of Hydrogen Bonding. P-O Donor Action","Inorganic Chemistry","2001","40","","6229","6238","10.1021/ic010600e","","","0.71073","MoKα","","0.0547","0.0399","","0.1142","0.1049","","","","1.468","1.523","1.523","","","","","has coordinates","179308","2020-10-21","18:00:00","" "4320595","8.5843","0.0002","10.1422","0.0002","10.6614","0.0003","107.198","0.0011","105.926","0.0013","107.949","0.0012","772.33","0.04","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C19 H15 O P -","- C19 H15 O P -","- C38 H30 O2 P2 -","2","1","","A. Chandrasekaran; Roberta O. Day; Robert R. Holmes","Coordination of Carbonyl and Carboxyl Oxygen Atoms with Phosphorus in the Presence of Hydrogen Bonding. P-O Donor Action","Inorganic Chemistry","2001","40","","6229","6238","10.1021/ic010600e","","","0.71073","MoKα","","0.0486","0.0394","","","0.115","0.1208","","","","","","1.577","","","","has coordinates","201982","2020-10-21","18:00:00","" "4320596","30.4111","0.0008","8.4282","0.0002","15.3425","0.0004","90","","114.966","0.0012","90","","3564.99","0.16","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C21 H15 O4 P -","- C21 H15 O4 P -","- C168 H120 O32 P8 -","8","1","","A. Chandrasekaran; Roberta O. Day; Robert R. Holmes","Coordination of Carbonyl and Carboxyl Oxygen Atoms with Phosphorus in the Presence of Hydrogen Bonding. P-O Donor Action","Inorganic Chemistry","2001","40","","6229","6238","10.1021/ic010600e","","","0.71073","MoKα","","0.0516","0.0391","","","0.1105","0.1176","","","","","","1.333","","","","has coordinates","201982","2020-10-21","18:00:00","" "4320597","13.4464","0.0015","13.6527","0.0016","22.843","0.003","102.663","0.002","91.869","0.002","119.104","0.002","3526.9","0.7","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C70 H40 Cl O21 P2 Re7 Zn -","- C70 H40 Cl O21 P2 Re7 Zn -","- C140 H80 Cl2 O42 P4 Re14 Zn2 -","2","1","","Chris A. Wright; John R. Shapley","Carbidoheptarhenate Cluster Complexes of Cadmium and Zinc Units: The Structure of [PPh4]2[Re7C(CO)21(μ3-ZnCl)]","Inorganic Chemistry","2001","40","","6338","6340","10.1021/ic0106064","","","0.71073","MoKα","","0.1407","0.0567","","","0.1267","0.1465","","","","","","0.825","","","","has coordinates","179308","2020-10-21","18:00:00","" "4320598","11.001","0.002","11.486","0.002","14.182","0.003","90.25","0.03","98.44","0.03","116.42","0.03","1582.5","0.7","173","2","173","2","","","","","","","","6","P -1","-P 1","2","00062","Li(Me2Ac-Cl) Et2O","","- C33 H50 Cl Li N2 O -","- C33 H50 Cl Li N2 O -","- C66 H100 Cl2 Li2 N4 O2 -","2","1","","Brian A. Jazdzewski; Patrick L. Holland; Maren Pink; Victor G. Young; Douglas J. E. Spencer; William B. Tolman","Three-Coordinate Copper(II)-Phenolate Complexes","Inorganic Chemistry","2001","40","","6097","6107","10.1021/ic010615c","","","0.71073","MoKα","","0.0575","0.0432","","","0.1282","0.1384","","","","","","0.946","","","","has coordinates,has disorder","179308","2020-10-21","18:00:00","" "4320599","8.6687","0.0017","12.15","0.002","17.406","0.004","70.98","0.03","79.67","0.03","82.73","0.03","1700.5","0.7","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","Me2AcCu(xylNC)","","- C38 H50 Cu N3 -","- C38 H50 Cu N3 -","- C76 H100 Cu2 N6 -","2","1","","Brian A. Jazdzewski; Patrick L. Holland; Maren Pink; Victor G. Young; Douglas J. E. Spencer; William B. Tolman","Three-Coordinate Copper(II)-Phenolate Complexes","Inorganic Chemistry","2001","40","","6097","6107","10.1021/ic010615c","","","0.71073","MoKα","","0.055","0.0409","","","0.1036","0.1091","","","","","","1.037","","","","has coordinates","198632","2020-10-21","18:00:00","" "4320600","25.6875","0.0018","20.0203","0.0013","17.5872","0.0011","90","","125.089","0.001","90","","7400.8","0.8","173","2","173","2","","","","","","","Brian Jazdzewski","6","C 1 2/c 1","-C 2yc","15","00232a","(Me2Ac-Cl)Cu(OPhtBu)","","- C39 H53 Cl Cu N2 O -","- C39 H53 Cl Cu N2 O -","- C312 H424 Cl8 Cu8 N16 O8 -","8","1","","Brian A. Jazdzewski; Patrick L. Holland; Maren Pink; Victor G. Young; Douglas J. E. Spencer; William B. Tolman","Three-Coordinate Copper(II)-Phenolate Complexes","Inorganic Chemistry","2001","40","","6097","6107","10.1021/ic010615c","","","0.71073","MoKα","","0.1034","0.0474","","","0.0998","0.114","","","","","","0.945","","","","has coordinates","198632","2020-10-21","18:00:00","" "4320601","17.189","0.003","18.347","0.004","20.988","0.004","90","","90","","90","","6619","2","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","00216","(Me2Ac-Cl)CuCl * CH2Cl2","","- C30 H42 Cl4 Cu N2 -","- C30 H42 Cl4 Cu N2 -","- C240 H336 Cl32 Cu8 N16 -","8","1","","Brian A. Jazdzewski; Patrick L. Holland; Maren Pink; Victor G. Young; Douglas J. E. Spencer; William B. Tolman","Three-Coordinate Copper(II)-Phenolate Complexes","Inorganic Chemistry","2001","40","","6097","6107","10.1021/ic010615c","","","0.71073","MoKα","","0.0921","0.0436","","","0.1011","0.1135","","","","","","1.045","","","","has coordinates","198632","2020-10-21","18:00:00","" "4320602","40.42","0.002","8.4524","0.0005","19.7553","0.0011","90","","99.335","0.001","90","","6659.9","0.6","173","2","173","2","","","","","","","Brian Jazdzewski","5","C 1 2/c 1","-C 2yc","15","00134","Me2AcCu(OPhOMe)","","- C36 H48 Cu N2 O2 -","- C36 H48 Cu N2 O2 -","- C288 H384 Cu8 N16 O16 -","8","1","","Brian A. Jazdzewski; Patrick L. Holland; Maren Pink; Victor G. Young; Douglas J. E. Spencer; William B. Tolman","Three-Coordinate Copper(II)-Phenolate Complexes","Inorganic Chemistry","2001","40","","6097","6107","10.1021/ic010615c","","","0.71073","MoKα","","0.1154","0.0557","","","0.1216","0.153","","","","","","1.24","","","","has coordinates","198632","2020-10-21","18:00:00","" "4320603","9.0263","0.0005","20.1213","0.0012","18.9777","0.0012","90","","92.961","0.001","90","","3442.1","0.4","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","00113","Me2AcCu(OPhMe2)","","- C37 H50 Cu N2 O -","- C37 H50 Cu N2 O -","- C148 H200 Cu4 N8 O4 -","4","1","","Brian A. Jazdzewski; Patrick L. Holland; Maren Pink; Victor G. Young; Douglas J. E. Spencer; William B. Tolman","Three-Coordinate Copper(II)-Phenolate Complexes","Inorganic Chemistry","2001","40","","6097","6107","10.1021/ic010615c","","","0.71073","MoKα","","0.0738","0.0389","","","0.0958","0.1083","","","","","","0.924","","","","has coordinates","198632","2020-10-21","18:00:00","" "4320604","8.2419","0.0009","21.411","0.002","20.185","0.002","90","","92.92","0.002","90","","3557.4","0.6","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","bjtwinaa","","","- C39 H54 Cu N2 O -","- C39 H54 Cu N2 O -","- C156 H216 Cu4 N8 O4 -","4","1","","Brian A. Jazdzewski; Patrick L. Holland; Maren Pink; Victor G. Young; Douglas J. E. Spencer; William B. Tolman","Three-Coordinate Copper(II)-Phenolate Complexes","Inorganic Chemistry","2001","40","","6097","6107","10.1021/ic010615c","","","0.71073","MoKα","","0.0877","0.0598","","","0.1415","0.1602","","","","","","1.048","","","","has coordinates","179309","2020-10-21","18:00:00","" "4320605","21.62","0.0015","20.2518","0.0015","8.3555","0.0006","90","","90","","90","","3658.4","0.5","298","2","298","2","","","","","","","B. Jazdzewski/Prof. W. Tolman","5","P n m a","-P 2ac 2n","62","00159b","","","- C39 H54 Cu N2 O -","- C39 H54 Cu N2 O -","- C156 H216 Cu4 N8 O4 -","4","0.5","","Brian A. Jazdzewski; Patrick L. Holland; Maren Pink; Victor G. Young; Douglas J. E. Spencer; William B. Tolman","Three-Coordinate Copper(II)-Phenolate Complexes","Inorganic Chemistry","2001","40","","6097","6107","10.1021/ic010615c","","","0.71073","MoKα","","0.0617","0.0444","","0.1351","0.1152","","","","1.057","1.035","1.035","","","","","has coordinates","179309","2020-10-21","18:00:00","" "4320606","17.037","0.006","12.2533","0.0012","18.105","0.004","90","","117.24","0.02","90","","3360.4","1.6","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","cs5in3as4","","","- As4 Cs5 In3 -","- As4 Cs5 In3 -","- As32 Cs40 In24 -","8","2","","Franck Gascoin; Slavi C. Sevov","Synthesis and Characterization of Cs5In3As4 with a Structure of Two Coexisting ""Polymorphic"" Forms of Different Dimensionality","Inorganic Chemistry","2001","40","","6254","6257","10.1021/ic010654o","","","0.71073","MoKα","","0.0798","0.0404","","","0.1122","0.1459","","","","","","0.761","","","","has coordinates","179309","2020-10-21","18:00:00","" "4320607","10.622","0.002","12.417","0.003","20.96","0.004","86.078","0.003","87.948","0.003","74.079","0.003","2651.8","1","168","2","168","2","","","","","","","","4","P -1","-P 1","2","[LiONep]8","Lithium Neo-pentoxide","","- C40 H88 Li8 O8 -","- C40 H88 Li8 O8 -","- C80 H176 Li16 O16 -","2","1","","Timothy J. Boyle; Todd M. Alam; Kelly P. Peters; Mark A. Rodriguez","Structural Diversity of Lithium Neopentoxide Compounds","Inorganic Chemistry","2001","40","","6281","6286","10.1021/ic0106569","","","0.71073","MoKα","","0.1007","0.052","","","0.1271","0.1478","","","","","","0.921","","","","has coordinates","179309","2020-10-21","18:00:00","" "4320608","10.502","0.003","10.507","0.003","18.617","0.006","86.2","0.005","79.263","0.005","77.207","0.005","1967.5","1","168","2","168","2","","","","","","","","4","P -1","-P 1","2","Li4(ONep)4(THF)3","Lithium Neo-pentoxide THF","","- C32 H68 Li4 O7 -","- C32 H68 Li4 O7 -","- C64 H136 Li8 O14 -","2","1","","Timothy J. Boyle; Todd M. Alam; Kelly P. Peters; Mark A. Rodriguez","Structural Diversity of Lithium Neopentoxide Compounds","Inorganic Chemistry","2001","40","","6281","6286","10.1021/ic0106569","","","0.71073","MoKα","","0.1265","0.0782","","","0.2227","0.2524","","","","","","1.016","","","","has coordinates","179309","2020-10-21","18:00:00","" "4320609","10.552","0.004","10.572","0.004","10.724","0.004","105.271","0.005","112.677","0.005","101.756","0.005","1000.3","0.7","168","2","168","2","","","","","","","","5","P 1","P 1","1","Li4(ONep)4(Py)3","Lithium Neo-pentoxide pyridine","","- C35 H59 Li4 N3 O4 -","- C35 H59 Li4 N3 O4 -","- C35 H59 Li4 N3 O4 -","1","1","","Timothy J. Boyle; Todd M. Alam; Kelly P. Peters; Mark A. Rodriguez","Structural Diversity of Lithium Neopentoxide Compounds","Inorganic Chemistry","2001","40","","6281","6286","10.1021/ic0106569","","","0.71073","MoKα","","0.0989","0.0672","","","0.1663","0.1879","","","","","","0.957","","","","has coordinates","179309","2020-10-21","18:00:00","" "4320610","4.0558","0.0003","10.1814","0.0008","21.7453","0.0014","90","","93.832","0.004","90","","895.94","0.11","200","2","200","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C14 H20 Cl2 N4 O4 Pd -","- C14 H20 Cl2 N4 O4 Pd -","- C28 H40 Cl4 N8 O8 Pd2 -","2","0.5","","Zengquan Qin; Michael C. Jennings; Richard J. Puddephatt","Self-Assembly of Polymer and Sheet Structures from Palladium(II) Complexes by Hydrogen Bonding between Carboxamide Substituents","Inorganic Chemistry","2001","40","","6220","6228","10.1021/ic0106625","","","0.71073","MoKα","","0.0655","0.0362","","","0.0752","0.0824","","","","","","0.925","","","","has coordinates","179309","2020-10-21","18:00:00","" "4320611","13.444","0.003","13.553","0.003","14.578","0.003","81.14","0.03","84.18","0.03","77.7","0.03","2557.8","1","150","2","150","2","","","","","","","","8","P -1","-P 1","2","","","","- C46 H48 F6 N4 O9 P2 Pd S2 -","- C46 H48 F6 N4 O9 P2 Pd S2 -","- C92 H96 F12 N8 O18 P4 Pd2 S4 -","2","1","","Zengquan Qin; Michael C. Jennings; Richard J. Puddephatt","Self-Assembly of Polymer and Sheet Structures from Palladium(II) Complexes by Hydrogen Bonding between Carboxamide Substituents","Inorganic Chemistry","2001","40","","6220","6228","10.1021/ic0106625","","","0.71073","MoKα","","0.1019","0.0524","","0.1377","0.1208","","","","0.951","1.073","1.073","","","","","has coordinates","179309","2020-10-21","18:00:00","" "4320612","14.1456","0.0004","21.0391","0.0005","35.0323","0.0009","90","","90","","90","","10426","0.5","200","2","200","2","","","","","","","","8","P b c n","-P 2n 2ab","60","","","","- C47 H50 F6 N4 O10 P2 Pd S2 -","- C47 H50 F6 N4 O10 P2 Pd S2 -","- C376 H400 F48 N32 O80 P16 Pd8 S16 -","8","1","","Zengquan Qin; Michael C. Jennings; Richard J. Puddephatt","Self-Assembly of Polymer and Sheet Structures from Palladium(II) Complexes by Hydrogen Bonding between Carboxamide Substituents","Inorganic Chemistry","2001","40","","6220","6228","10.1021/ic0106625","","","0.71073","MoKα","","0.1142","0.0561","","","0.1237","0.1412","","","","","","1.017","","","","has coordinates","179309","2020-10-21","18:00:00","" "4320613","10.7013","0.0003","12.1564","0.0003","20.2002","0.0005","101.843","0.001","98.568","0.001","102.628","0.001","2457.44","0.11","200","2","200","2","","","","","","","","8","P -1","-P 1","2","","","","- C42 H40 F6 N4 O9 P2 Pd S2 -","- C42 H40 F6 N4 O9 P2 Pd S2 -","- C84 H80 F12 N8 O18 P4 Pd2 S4 -","2","1","","Zengquan Qin; Michael C. Jennings; Richard J. Puddephatt","Self-Assembly of Polymer and Sheet Structures from Palladium(II) Complexes by Hydrogen Bonding between Carboxamide Substituents","Inorganic Chemistry","2001","40","","6220","6228","10.1021/ic0106625","","","0.71073","MoKα","","0.0827","0.06","","","0.1701","0.1813","","","","","","1.071","","","","has coordinates","179309","2020-10-21","18:00:00","" "4320614","10.5132","0.0003","19.5022","0.0007","20.2079","0.0004","90","","97.011","0.002","90","","4112.3","0.2","200","2","200","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C38 H34 F6 O8 P2 Pd S2 -","- C38 H34 F6 O8 P2 Pd S2 -","- C152 H136 F24 O32 P8 Pd4 S8 -","4","1","","Zengquan Qin; Michael C. Jennings; Richard J. Puddephatt","Self-Assembly of Polymer and Sheet Structures from Palladium(II) Complexes by Hydrogen Bonding between Carboxamide Substituents","Inorganic Chemistry","2001","40","","6220","6228","10.1021/ic0106625","","","0.71073","MoKα","","0.0669","0.0359","","","0.0797","0.0866","","","","","","0.963","","","","has coordinates","179309","2020-10-21","18:00:00","" "4320615","12.4775","0.0007","12.8707","0.0005","17.5888","0.0006","71.835","0.002","88.993","0.003","86.174","0.003","2677.9","0.2","200","2","200","2","","","","","","","","8","P -1","-P 1","2","","","","- C53 H48 F6 N4 O9 P2 Pd S2 -","- C53 H48 F6 N4 O9 P2 Pd S2 -","- C106 H96 F12 N8 O18 P4 Pd2 S4 -","2","1","","Zengquan Qin; Michael C. Jennings; Richard J. Puddephatt","Self-Assembly of Polymer and Sheet Structures from Palladium(II) Complexes by Hydrogen Bonding between Carboxamide Substituents","Inorganic Chemistry","2001","40","","6220","6228","10.1021/ic0106625","","","0.71073","MoKα","","0.1596","0.1461","","","0.3883","0.3954","","","","","","1.086","","","","has coordinates","179309","2020-10-21","18:00:00","" "4320616","12.3417","0.0009","12.4393","0.0009","16.1222","0.0011","70.494","0.004","86.609","0.003","88.409","0.004","2328.9","0.3","200","2","200","2","","","","","","","","7","P -1","-P 1","2","","","","- C39.5 H53.5 B2 F8 N6 O4.5 Pd -","- C39.5 H53.5 B2 F8 N6 O4.5 Pd -","- C79 H107 B4 F16 N12 O9 Pd2 -","2","1","","Zengquan Qin; Michael C. Jennings; Richard J. Puddephatt","Self-Assembly of Polymer and Sheet Structures from Palladium(II) Complexes by Hydrogen Bonding between Carboxamide Substituents","Inorganic Chemistry","2001","40","","6220","6228","10.1021/ic0106625","","","0.71073","MoKα","","0.104","0.0708","","","0.1666","0.1857","","","","","","1.033","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00","" "4320617","11.6074","0.0007","13.9377","0.0008","24.6962","0.0011","89.994","0.003","88.272","0.003","90.002","0.003","3993.5","0.4","200","2","200","2","","","","","","","","7","P -1","-P 1","2","","","","- C33 H42 B2 F8 N6 O5 Pd -","- C33 H42 B2 F8 N6 O5 Pd -","- C132 H168 B8 F32 N24 O20 Pd4 -","4","2","","Zengquan Qin; Michael C. Jennings; Richard J. Puddephatt","Self-Assembly of Polymer and Sheet Structures from Palladium(II) Complexes by Hydrogen Bonding between Carboxamide Substituents","Inorganic Chemistry","2001","40","","6220","6228","10.1021/ic0106625","","","0.71073","MoKα","","0.1213","0.0814","","","0.2071","0.2253","","","","","","1.05","","","","has coordinates,has disorder","179309","2020-10-21","18:00:00","" "4320618","18.9077","0.001","15.4841","0.0008","14.4483","0.0008","90","","95.124","0.001","90","","4213.1","0.4","153","2","153","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C20 H42 Cu2 N20 O5 Re4 Te4 -","- C20 H42 Cu2 N20 O5 Re4 Te4 -","- C80 H168 Cu8 N80 O20 Re16 Te16 -","4","0.5","","Yuri V. Mironov; Vladimir E. Fedorov; Ismail Ijjaali; James A. Ibers","[{Cu(en)2}2Re4Te4(CN)12].5H2O and [{Cu(en)2}2Re6Te8(CN)6].5H2O: Bonding of a Transition-Metal Complex to a Rhenium Chalcocyanide Cluster","Inorganic Chemistry","2001","40","","6320","6323","10.1021/ic010734s","","","0.71073","MoKα","","0.0227","0.0198","","","0.0461","0.0471","","","","","","1.083","","","","has coordinates","179309","2020-10-21","18:00:00","" "4320619","9.4906","0.0003","10.6529","0.0004","12.6252","0.0005","113.599","0.001","103.404","0.001","92.659","0.001","1123.87","0.07","153","2","153","2","","","","","","","","7","P -1","-P 1","2","","","","- C14 H42 Cu2 N14 O5 Re6 Te8 -","- C14 H42 Cu2 N14 O6 Re6 Te8 -","- C14 H42 Cu2 N14 O6 Re6 Te8 -","1","0.5","","Yuri V. Mironov; Vladimir E. Fedorov; Ismail Ijjaali; James A. Ibers","[{Cu(en)2}2Re4Te4(CN)12].5H2O and [{Cu(en)2}2Re6Te8(CN)6].5H2O: Bonding of a Transition-Metal Complex to a Rhenium Chalcocyanide Cluster","Inorganic Chemistry","2001","40","","6320","6323","10.1021/ic010734s","","","0.71073","MoKα","","0.0382","0.0301","","","0.0723","0.0762","","","","","","1.05","","","","has coordinates","179309","2020-10-21","18:00:00","" "4320620","10.431","0.002","16.43","0.002","11.755","0.002","90","","107.45","0.02","90","","1921.9","0.6","296.2","","296.2","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C15 H13 Cl2 Cu N3 O11 -","- C15 H11 Cl2 Cu N3 O11 -","- C60 H44 Cl8 Cu4 N12 O44 -","4","1","","Kaname Ito; Toshi Nagata; Koji Tanaka","Synthesis and Electrochemical Properties of Transition Metal Complexes of 2,2':6',2''-Terpyridine 1,1''-Dioxide","Inorganic Chemistry","2001","40","","6331","6333","10.1021/ic010883a","","","0.7107","MoKα","","","0.0488","","","0.0651","","","","","1.216","1.216","","","","","has coordinates","176467","2020-10-21","18:00:00","" "4320621","15.304","0.002","10.065","0.002","19.783","0.003","90","","97.27","0.01","90","","3022.8","0.9","296.2","","296.2","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C30 H22 Cl2 N6 Ni O12 -","- C30 H22 Cl2 N6 Ni O12 -","- C120 H88 Cl8 N24 Ni4 O48 -","4","1","","Kaname Ito; Toshi Nagata; Koji Tanaka","Synthesis and Electrochemical Properties of Transition Metal Complexes of 2,2':6',2''-Terpyridine 1,1''-Dioxide","Inorganic Chemistry","2001","40","","6331","6333","10.1021/ic010883a","","","0.7107","MoKα","","","0.0584","","","0.105","","","","","1.803","1.803","","","","","has coordinates","176467","2020-10-21","18:00:00","" "4320622","15.32","0.002","9.99","0.0005","19.69","0.0004","90","","96.4","0.0005","90","","2994.7","0.4","193.1","","","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C30 H22 Cl2 Fe N6 O12 -","- C30 H22 Cl2 Fe N6 O12 -","- C120 H88 Cl8 Fe4 N24 O48 -","4","1","","Kaname Ito; Toshi Nagata; Koji Tanaka","Synthesis and Electrochemical Properties of Transition Metal Complexes of 2,2':6',2''-Terpyridine 1,1''-Dioxide","Inorganic Chemistry","2001","40","","6331","6333","10.1021/ic010883a","","","0.7107","MoKα","","","0.05","","","","0.076","","","","","","0.731","","","","has coordinates","176467","2020-10-21","18:00:00","" "4320623","7.5689","0.0002","7.8002","0.0002","12.2351","0.0005","84.9523","0.0011","79.449","0.0011","63.9269","0.0016","637.84","0.04","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","bis(μ~3~-Glycidolato-O,O')-decamethyl-tetragallium","","- C16 H40 Ga4 O4 -","- C16 H40 Ga4 O4 -","- C16 H40 Ga4 O4 -","1","0.5","","Janusz Lewiński; Janusz Zachara; Paweł Horeglad; Daniel Glinka; Janusz Lipkowski; Iwona Justyniak","Structural Evidence of the Epoxide Oxygen Propensity to Double Coordination","Inorganic Chemistry","2001","40","","6086","6087","10.1021/ic015572e","","","0.71073","MoKα","","0.0534","0.0419","","","0.1003","0.1141","","","","","","1.083","","","","has coordinates","176432","2020-10-21","18:00:00","" "4320624","21.7729","0.0011","16.2148","0.0008","12.5448","0.0006","90","","111.758","","90","","4113.3","0.4","121","2","121","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C30 H68 Cl4 O2 P4 Ru2 -","- C24 H68 Cl4 O8 P4 Ru2 -","- C96 H272 Cl16 O32 P16 Ru8 -","4","0.5","","Alexei V. Marchenko; John C. Huffman; Pedro Valerga; Manuel Jiménez Tenorio; M Carmen Puerta; Kenneth G. Caulton","Effect of Lewis Acidity on the Synthesis of RuHCl(CO)(phosphine)2: Subtle Influence of Steric and Electronic Effects among PiPr3, PiPr2(3,5-(CF3)2C6H3), and PiPr2Me","Inorganic Chemistry","2001","40","","6444","6450","10.1021/ic000500t","","","0.71073","MoKα","","","0.0444","","","","0.047","","","","","","1.3245","","","","has coordinates,has disorder","179309","2020-10-21","18:00:00","" "4320625","8.1225","0.001","8.9171","0.0011","9.3516","0.0012","117.063","0.002","91.017","0.002","103.174","0.002","581.5","0.13","203","2","203","2","","","","","","","","5","P -1","-P 1","2","Cu2Br2(dmq)","","","- C10 H10 Br2 Cu2 N2 -","- C10 H10 Br2 Cu2 N2 -","- C20 H20 Br4 Cu4 N4 -","2","1","","Roger D. Willett; James R. Jeitler; Brendan Twamley","Novel Copper(I) Halide Polymers: Structures of Cu2Br2(2,3-dimethylquinoxaline) and (2,3-Di(bromomethyl)quinoxalinium)CuBr2. The Continuing Saga of Copper(II) Bromide Reactivity with Organoamines","Inorganic Chemistry","2001","40","","6502","6505","10.1021/ic010280z","","","0.71073","MoKα","","0.0455","0.0326","","","0.0755","0.0802","","","","","","1.011","","","","has coordinates","179309","2020-10-21","18:00:00","" "4320626","24.384","0.011","10.031","0.005","11.934","0.006","90","","101.654","0.009","90","","2859","2","297","2","297","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","[CuBr2][dmqHBr2]","","","- C10 H9 Br4 Cu N2 -","- C10 H9 Br4 Cu N2 -","- C80 H72 Br32 Cu8 N16 -","8","1","","Roger D. Willett; James R. Jeitler; Brendan Twamley","Novel Copper(I) Halide Polymers: Structures of Cu2Br2(2,3-dimethylquinoxaline) and (2,3-Di(bromomethyl)quinoxalinium)CuBr2. The Continuing Saga of Copper(II) Bromide Reactivity with Organoamines","Inorganic Chemistry","2001","40","","6502","6505","10.1021/ic010280z","","","0.71073","MoKα","","0.094","0.041","","","0.1027","0.1348","","","","","","0.947","","","","has coordinates","179309","2020-10-21","18:00:00","" "4320627","19.749","0.004","11.019","0.003","17.324","0.005","90","","90","","90","","3769.9","1.7","298","2","298","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C34 H48 Mo N S6 -","- C34 H48 Mo N S6 -","- C136 H192 Mo4 N4 S24 -","4","1","","Antonio Cervilla; Elisa Llopis; Dolores Marco; Francisco Pérez","X-ray Structure of (Bun4N)[Mo(1,2-Benzenedithiolate)3]. Trigonal-Prismatic versus Octahedral Coordination in Tris(1,2-Benzenedithiolate) Complexes","Inorganic Chemistry","2001","40","","6525","6528","10.1021/ic010327g","","","0.71073","MoKα","","0.2813","0.0863","","0.074","0.0469","","","","1.047","1.379","1.379","","","","","has coordinates","258736","2020-11-05","08:57:04","" "4320628","22.712","0.003","13.662","0.003","18.177","0.003","90","","110.16","0.01","90","","5294.6","1.6","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","[Bis(acetonitrile kN)(2,2'-bipyridine-k^2N)(benzylamine-kC^1,kN)] ruthenium(II) hexaflurophosphate","","- C23 H26 F6 N5 P Ru -","- C23 H26 F6.02 N5 P Ru -","- C184 H208 F48.16 N40 P8 Ru8 -","8","1","","Alexander D. Ryabov; Valentin S. Sukharev; Larissa Alexandrova; Ronan Le Lagadec; Michel Pfeffer","New Synthesis and New Bio-Application of Cyclometalated Ruthenium(II) Complexes for Fast Mediated Electron Transfer with Peroxidase and Glucose Oxidase","Inorganic Chemistry","2001","40","","6529","6532","10.1021/ic010423h","","","0.71073","MoKα","","0.0948","0.0515","","","0.1155","0.1379","","","","","","1.019","","","","has coordinates,has disorder","179309","2020-10-21","18:00:00","" "4320629","11.5739","0.0005","12.0433","0.0005","15.1394","0.0004","81.27","0.005","85.572","0.005","65.106","0.005","1891.8","0.15","173","","173","","","","","","","","","8","P -1","-P 1","2","","","","- C73 H56 Cl6 F12 N10 O P2 Ru2 -","- C73.2 H56 Cl6.4 F12 N10 O0.8 P Ru2 -","- C73.2 H56 Cl6.4 F12 N10 O0.8 P Ru2 -","1","0.5","","Alexander D. Ryabov; Valentin S. Sukharev; Larissa Alexandrova; Ronan Le Lagadec; Michel Pfeffer","New Synthesis and New Bio-Application of Cyclometalated Ruthenium(II) Complexes for Fast Mediated Electron Transfer with Peroxidase and Glucose Oxidase","Inorganic Chemistry","2001","40","","6529","6532","10.1021/ic010423h","","","0.71073","Mo-Kα","","0.09","0.06","","0.196","","0.081","","","3.033","","","1.096","","","","has coordinates","179309","2020-10-21","18:00:00","" "4320630","11.9764","0.0013","11.9764","0.0013","20.802","0.002","90","","90","","120","","2584","0.5","295","2","295","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C12 H36 Cl3 O18 S6 Tl -","- C12 H36 Cl2.958 O18.026 S6 Tl -","- C36 H108 Cl8.874 O54.078 S18 Tl3 -","3","0.166667","","Guibin Ma; Alireza Molla-Abbassi; Mikael Kritikos; Andrey Ilyukhin; Farideh Jalilehvand; Vadim Kessler; Mikhail Skripkin; Magnus Sandström; Julius Glaser; Jan Näslund; Ingmar Persson","Structure of the Dimethyl Sulfoxide Solvated Thallium(III) Ion in Solution and in the Solid State","Inorganic Chemistry","2001","40","","6432","6438","10.1021/ic010453k","","","0.71073","MoKα","","0.0329","0.0323","","","0.0789","0.0791","","","","","","1.086","","","","has coordinates","288183","2023-12-08","14:42:59","" "4320631","11.8995","0.0009","11.8995","0.0009","20.467","0.002","90","","90","","120","","2509.8","0.4","150","2","150","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C12 H36 Cl3 O18 S6 Tl -","- C12 H36 Cl2.918 O18.002 S6 Tl -","- C36 H108 Cl8.754 O54.006 S18 Tl3 -","3","0.166667","","Guibin Ma; Alireza Molla-Abbassi; Mikael Kritikos; Andrey Ilyukhin; Farideh Jalilehvand; Vadim Kessler; Mikhail Skripkin; Magnus Sandström; Julius Glaser; Jan Näslund; Ingmar Persson","Structure of the Dimethyl Sulfoxide Solvated Thallium(III) Ion in Solution and in the Solid State","Inorganic Chemistry","2001","40","","6432","6438","10.1021/ic010453k","","","0.71073","MoKα","","0.0338","0.0302","","","0.0678","0.0854","","","","","","1.208","","","","has coordinates","179309","2020-10-21","18:00:00","" "4320632","10.978","0.005","13.17","0.005","40.322","0.017","93.501","0.007","95.994","0.007","95.638","0.008","5755","4","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","Tetraphenylarsonium trans-bis(heptacyanomolybdenum(IV) -u-oxo-)bis(ethylenediammine)Osmate(VI)","","- C118 H108 As4 Mo2 N18 O11 Os -","- C118 H106.5 As4 Mo2 N18 O10.5 Os -","- C236 H213 As8 Mo4 N36 O21 Os2 -","2","1","","R. Kent Murmann; Charles L. Barnes","Reaction of [Os(en)2O2]2+ with Photolyzed [Mo(CN)8]4- in Water","Inorganic Chemistry","2001","40","","6514","6517","10.1021/ic010466y","","","0.71073","MoKα","","0.0759","0.0639","","","0.1214","0.1265","","","","","","1.262","","","","has coordinates","192777","2020-10-21","18:00:00","" "4320633","14.2689","0.0014","13.2323","0.0013","15.2384","0.0016","90","","103.397","0.002","90","","2798.9","0.5","293","2","173","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","[Cobalt(III) sepulcherate] heptacyano-(2-peroxo tungsten(VI) tetra-hydrate","","- C21 H32 Co N13 O6 W -","- C21 H32 Co N13 O6 W -","- C84 H128 Co4 N52 O24 W4 -","4","0.5","","R. Kent Murmann; Charles L. Barnes","Reaction of [Os(en)2O2]2+ with Photolyzed [Mo(CN)8]4- in Water","Inorganic Chemistry","2001","40","","6514","6517","10.1021/ic010466y","","","0.7107","MoKα","","0.0509","0.038","","","0.0906","0.0957","","","","","","1.056","","","","has coordinates,has disorder","179309","2020-10-21","18:00:00","" "4320634","29.825","0.003","27.377","0.002","38.248","0.003","90","","112.71","0.01","90","","28809","5","173","2","173","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C262.5 H262.9 Cl4.6 Mo12 N46.1 O48 -","- C263.304 H192 Cl4.6 Mo12 N46.102 O48 -","- C1053.22 H768 Cl18.4 Mo48 N184.408 O192 -","4","0.5","","F. Albert Cotton; Chun Lin; Carlos A. Murillo","Neutral Dodecanuclear Supramolecular Complexes Containing Dimetal Units Linked by the Trimesate Anion","Inorganic Chemistry","2001","40","","6413","6417","10.1021/ic0104959","","","0.71073","MoKα","","0.1231","0.0976","","0.2406","0.2174","","","","1.073","","","","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00","" "4320635","20.3608","0.0008","20.6954","0.0009","37.555","0.002","104.436","0.001","104.354","0.001","94.403","0.001","14683.8","1.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C243.8 H233.7 N37.9 O48 Rh12 -","- C243.758 N37.9 O48 Rh12 -","- C487.516 N75.8 O96 Rh24 -","2","1","","F. Albert Cotton; Chun Lin; Carlos A. Murillo","Neutral Dodecanuclear Supramolecular Complexes Containing Dimetal Units Linked by the Trimesate Anion","Inorganic Chemistry","2001","40","","6413","6417","10.1021/ic0104959","","","0.71073","MoKα","","0.1479","0.0888","","","0.2376","0.3053","","","","","","1.04","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00","" "4320636","4.4836","0.0003","14.7576","0.001","9.4264","0.0007","90","","95.273","0.002","90","","621.08","0.08","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","strontium zinc selenite","","","- O6 Se2 Sr Zn -","- O6 Se2 Sr Zn -","- O24 Se8 Sr4 Zn4 -","4","1","","Magnus G. Johnston; William T. A. Harrison","SrZn(SeO3)2 Containing Novel ZnO4+2 Bicapped Tetrahedra","Inorganic Chemistry","2001","40","","6518","6520","10.1021/ic010503l","","","0.71073","MoKα","","0.0692","0.0471","","","0.1007","0.1085","","","","","","0.951","","","","has coordinates","179309","2020-10-21","18:00:00","" "4320637","10.5407","0.0002","11.8266","0.0003","14.1122","0.0002","106.878","0.004","102.411","0.002","111.011","0.003","1467.89","0.09","293","2","293","2","","","","","","","synthesis as described","5","P -1","-P 1","2","","","","- C25 H22 Co2 N4 O10 -","- C25 H18 Co2 N4 O10 -","- C50 H36 Co4 N8 O20 -","2","1","","Yen-Hsiang Liu; Hui-Lien Tsai; Yi-Long Lu; Yuh-Sheng Wen; Ju-Chun Wang; Kuang-Lieh Lu","Assembly of a Robust, Thermally Stable Porous Cobalt(II) Nicotinate Framework Based on a Dicobalt Carboxylate Unit","Inorganic Chemistry","2001","40","","6426","6431","10.1021/ic010528k","","x-ray","0.71073","MoKα","","0.0448","0.0336","","","0.1043","0.1145","","","","","","0.945","","","","has coordinates","179309","2020-10-21","18:00:00","" "4320638","10.507","0.003","11.824","0.002","14.113","0.003","107.06","0.02","102.39","0.02","111.105","0.016","1459.5","0.7","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H18 Co2 N4 O9 -","- C24 H18 Co2 N4 O9 -","- C48 H36 Co4 N8 O18 -","2","1","","Yen-Hsiang Liu; Hui-Lien Tsai; Yi-Long Lu; Yuh-Sheng Wen; Ju-Chun Wang; Kuang-Lieh Lu","Assembly of a Robust, Thermally Stable Porous Cobalt(II) Nicotinate Framework Based on a Dicobalt Carboxylate Unit","Inorganic Chemistry","2001","40","","6426","6431","10.1021/ic010528k","","","0.71073","MoKα","","0.0603","0.0435","","","0.149","0.1584","","","","","","1.119","","","","has coordinates","179309","2020-10-21","18:00:00","" "4320639","10.6671","0.0006","12.0063","0.0007","14.0658","0.0008","106.718","","102.279","","111.19","","1504.11","0.15","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C31 H26 Co2 N4 O10 -","- C31 H23 Co2 N4 O10 -","- C62 H46 Co4 N8 O20 -","2","1","","Yen-Hsiang Liu; Hui-Lien Tsai; Yi-Long Lu; Yuh-Sheng Wen; Ju-Chun Wang; Kuang-Lieh Lu","Assembly of a Robust, Thermally Stable Porous Cobalt(II) Nicotinate Framework Based on a Dicobalt Carboxylate Unit","Inorganic Chemistry","2001","40","","6426","6431","10.1021/ic010528k","","","0.71073","MoKα","","0.0357","0.0348","","","0.1002","0.1013","","","","","","1.061","","","","has coordinates,has disorder","179309","2020-10-21","18:00:00","" "4320640","8.1793","0.0006","24.347","0.002","13.7606","0.0009","90","","101.907","0.001","90","","2681.3","0.3","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H21 Br7 Cu N9 -","- C15 H21 Br7 Cu N9 -","- C60 H84 Br28 Cu4 N36 -","4","1","","Shu-Hui Liu; Jhy-Der Chen; Lin-Shu Liou; Ju-Chun Wang","Synthesis and Crystal Structures of (C5H7N3Br)3CuBr4 and (C5H8N3)CuBr2: An Isolated Tetrahedral CuBr43- Anion","Inorganic Chemistry","2001","40","","6499","6501","10.1021/ic010529c","","","0.71073","MoKα","","0.074","0.0559","","0.1281","0.1179","","","","1.123","1.159","1.159","","","","","has coordinates","179309","2020-10-21","18:00:00","" "4320641","17.122","0.002","6.4919","0.0007","8.7196","0.0009","90","","90.947","0.002","90","","969.09","0.18","298","2","298","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C5 H8 Br2 Cu N3 -","- C5 H8 Br2 Cu N3 -","- C20 H32 Br8 Cu4 N12 -","4","0.5","","Shu-Hui Liu; Jhy-Der Chen; Lin-Shu Liou; Ju-Chun Wang","Synthesis and Crystal Structures of (C5H7N3Br)3CuBr4 and (C5H8N3)CuBr2: An Isolated Tetrahedral CuBr43- Anion","Inorganic Chemistry","2001","40","","6499","6501","10.1021/ic010529c","","","0.71073","MoKα","","0.0459","0.0436","","0.1223","0.1196","","","","1.116","1.138","1.138","","","","","has coordinates","179309","2020-10-21","18:00:00","" "4320642","13.4413","0.0009","21.259","0.0015","25.5207","0.0018","80.475","0.002","85.555","0.002","89.563","0.002","7170.2","0.9","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- Cu3 Fe2 H0 Na16 O142.75 P4 W28 -","- Cu3 Fe2 Na16 O142.75 P4 W28 -","- Cu6 Fe4 Na32 O285.5 P8 W56 -","2","1","","Travis M. Anderson; Kenneth I. Hardcastle; Nelya Okun; Craig L. Hill","Asymmetric Sandwich-Type Polyoxoanions. Synthesis, Characterization, and X-ray Crystal Structures of Diferric Complexes [TMIIFeIII2(P2W15O56)(P2TMII2W13O52)]16-, TM = Cu or Co","Inorganic Chemistry","2001","40","","6418","6425","10.1021/ic0105314","","","0.71073","MoKα","","0.0803","0.0542","","","0.1263","0.1353","","","","","","1.164","","","","has coordinates","176467","2020-10-21","18:00:00","" "4320643","14.8737","0.0018","22.936","0.003","24.337","0.003","71.566","0.002","72.499","0.002","89.342","0.002","7479.7","1.6","373","2","373","2","","","","","","","","7","P -1","-P 1","2","","","","- Co3 Fe2 H0 Na3 O130 P4 W28 -","- Co3 Fe2 Na3 O130 P4 W28 -","- Co6 Fe4 Na6 O260 P8 W56 -","2","1","","Travis M. Anderson; Kenneth I. Hardcastle; Nelya Okun; Craig L. Hill","Asymmetric Sandwich-Type Polyoxoanions. Synthesis, Characterization, and X-ray Crystal Structures of Diferric Complexes [TMIIFeIII2(P2W15O56)(P2TMII2W13O52)]16-, TM = Cu or Co","Inorganic Chemistry","2001","40","","6418","6425","10.1021/ic0105314","","","0.71073","MoKα","","0.2487","0.1534","","","0.2686","0.3016","","","","","","1.298","","","","has coordinates","176467","2020-10-21","18:00:00","" "4320644","5.442","0.001","5.667","0.001","7.69","0.001","90","","90","","90","","237.16","0.07","173","2","173","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","iodylfluoride","iodylfluoride","","- F I O2 -","- F I O2 -","- F4 I4 O8 -","4","1","","Rolf Minkwitz; Michael Berkei; Ralf Ludwig","Crystal Structure of IO2F","Inorganic Chemistry","2001","40","","6493","6495","10.1021/ic0105462","","","0.71069","MoKα","","0.0285","0.0267","","0.0578","0.0573","","","","1.102","1.117","1.117","","","","","has coordinates","179309","2020-10-21","18:00:00","" "4320645","25.6292","0.0002","25.4201","0.0003","29.1915","0.0002","90","","90","","90","","19018.2","0.3","173","2","173","2","","","","","","","","6","A b a 2","A 2 -2ab","41","","","","- C132 H42 F80 Fe Mn12 O50 -","- C132 F80 Fe Mn12 O50 -","- C528 F320 Fe4 Mn48 O200 -","4","","","Takayoshi Kuroda-Sowa; Matthew Lam; Arnold L. Rheingold; Christoph Frommen; William M. Reiff; Motohiro Nakano; Jae Yoo; A. L. Maniero; Louis-Claude Brunel; George Christou; David N. Hendrickson","Effects of Paramagnetic Ferrocenium Cations on the Magnetic Properties of the Anionic Single-Molecule Magnet [Mn12O12(O2CC6F5)16(H2O)4]-","Inorganic Chemistry","2001","40","","6469","6480","10.1021/ic010547u","","","0.71073","MoKα","","0.152","0.1342","","","0.3373","0.3555","","","","","","2.753","","","","has coordinates,has disorder","179309","2020-10-21","18:00:00","" "4320646","17.8332","0.0006","26.2661","0.0009","36.0781","0.0011","90","","92.8907","0.0003","90","","16877.8","1","173","2","173","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C140 H56 Cl4 Co F80 Mn12 O48 -","- C140 H48 Cl4 Co F80 Mn12 O48 -","- C560 H192 Cl16 Co4 F320 Mn48 O192 -","4","1","","Takayoshi Kuroda-Sowa; Matthew Lam; Arnold L. Rheingold; Christoph Frommen; William M. Reiff; Motohiro Nakano; Jae Yoo; A. L. Maniero; Louis-Claude Brunel; George Christou; David N. Hendrickson","Effects of Paramagnetic Ferrocenium Cations on the Magnetic Properties of the Anionic Single-Molecule Magnet [Mn12O12(O2CC6F5)16(H2O)4]-","Inorganic Chemistry","2001","40","","6469","6480","10.1021/ic010547u","","","0.71073","MoKα","","0.2565","0.1569","","","0.3264","0.3687","","","","","","1.828","","","","has coordinates","179309","2020-10-21","18:00:00","" "4320647","10.1019","0.0004","10.1019","0.0004","15.5214","0.0008","90","","90","","120","","1371.73","0.1","183","2","183","2","","","","","","","","3","P 63/m","-P 6c","176","","","","- C30 H45 La -","- C30 H45 La -","- C60 H90 La2 -","2","0.166667","","William J. Evans; Benjamin L. Davis; Joseph W. Ziller","Synthesis and Structure of Tris(alkyl- and silyl-tetramethylcyclopentadienyl) Complexes of Lanthanum","Inorganic Chemistry","2001","40","","6341","6348","10.1021/ic010554i","","","0.71073","MoKα","","0.0211","0.0206","","","0.0606","0.0609","","","","","","1.201","","","","has coordinates","179309","2020-10-21","18:00:00","" "4320648","10.0459","0.0005","10.0786","0.0005","16.1832","0.0008","90.355","0.001","90.108","0.001","118.805","0.001","1435.73","0.12","158","2","158","2","","","","","","","","3","P -1","-P 1","2","","","","- C33 H51 La -","- C33 H51 La -","- C66 H102 La2 -","2","1","","William J. Evans; Benjamin L. Davis; Joseph W. Ziller","Synthesis and Structure of Tris(alkyl- and silyl-tetramethylcyclopentadienyl) Complexes of Lanthanum","Inorganic Chemistry","2001","40","","6341","6348","10.1021/ic010554i","","","0.71073","MoKα","","0.0324","0.0297","","","0.0712","0.0722","","","","","","1.233","","","","has coordinates","179309","2020-10-21","18:00:00","" "4320649","35.675","0.003","10.2853","0.0008","18.7528","0.0014","90","","112.289","0.001","90","","6366.8","0.9","163","2","163","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C36 H57 La -","- C36 H57 La -","- C288 H456 La8 -","8","1","","William J. Evans; Benjamin L. Davis; Joseph W. Ziller","Synthesis and Structure of Tris(alkyl- and silyl-tetramethylcyclopentadienyl) Complexes of Lanthanum","Inorganic Chemistry","2001","40","","6341","6348","10.1021/ic010554i","","","0.71073","MoKα","","0.0421","0.0355","","","0.0926","0.098","","","","","","1.111","","","","has coordinates","179309","2020-10-21","18:00:00","" "4320650","10.2192","0.0007","10.2734","0.0007","20.4975","0.0014","91.811","0.001","98.394","0.001","96.136","0.001","2114.3","0.3","158","2","158","2","","","","","","","","4","P -1","-P 1","2","","","","- C43 H71 La Si3 -","- C43 H71 La Si3 -","- C86 H142 La2 Si6 -","2","1","","William J. Evans; Benjamin L. Davis; Joseph W. Ziller","Synthesis and Structure of Tris(alkyl- and silyl-tetramethylcyclopentadienyl) Complexes of Lanthanum","Inorganic Chemistry","2001","40","","6341","6348","10.1021/ic010554i","","","0.71073","MoKα","","0.024","0.0226","","","0.0593","0.0637","","","","","","1.1","","","","has coordinates","211332","2020-10-21","18:00:00","" "4320651","7.546","0.002","4.196","0.001","10.257","0.002","90","","90","","90","","324.77","0.13","293","2","293","2","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- Gd1.29 Sb8 U2.71 -","- Gd1.3 Sb8 U2.7 -","- Gd1.3 Sb8 U2.7 -","1","0.125","","Tobias Schmidt; Wolfgang Jeitschko","Preparation and Crystal Structure of the Ternary Uranium Rare Earth Antimonides (U2/3R1/3)Sb2 and (U1/2R1/2)3Sb7 with Mixed U/R Occupancy of the Metal Sites and a Variety of Antimony Polyanions","Inorganic Chemistry","2001","40","","6356","6361","10.1021/ic010564j","","","0.71073","MoKα","","0.0244","0.0225","","","0.0557","0.0567","","","","","","1.18","","","","has coordinates","179309","2020-10-21","18:00:00","" "4320652","4.101","0.001","14.477","0.003","18.212","0.004","90","","90","","90","","1081.2","0.4","293","2","293","2","","","","","","","","3","I m m m","-I 2 2","71","","","","- Ho3.08 Sb14 U2.92 -","- Ho3.08 Sb14.035 U2.92 -","- Ho6.16 Sb28.07 U5.84 -","2","0.125","","Tobias Schmidt; Wolfgang Jeitschko","Preparation and Crystal Structure of the Ternary Uranium Rare Earth Antimonides (U2/3R1/3)Sb2 and (U1/2R1/2)3Sb7 with Mixed U/R Occupancy of the Metal Sites and a Variety of Antimony Polyanions","Inorganic Chemistry","2001","40","","6356","6361","10.1021/ic010564j","","","0.71073","MoKα","","0.0263","0.0202","","","0.0465","0.0492","","","","","","1.131","","","","has coordinates","179309","2020-10-21","18:00:00","" "4320653","27.269","0.003","27.269","0.003","15.498","0.002","90","","90","","90","","11524","2","293","2","293","2","","","","","","","","7","I 41/a c d :2","-I 4bd 2c","142","bis{1,5-dimethyl-3(6-methyl-2-pyridn-2-yl)-6-oxo-verdazyl}copper(I) hexafluorophosphate","","","- C20 H24 Cu F6 N10 O2 P -","- C20 H24 Cu F6 N10 O2 P -","- C320 H384 Cu16 F96 N160 O32 P16 -","16","0.5","","Tosha M. Barclay; Robin G. Hicks; Martin T. Lemaire; Laurence K. Thompson","Weak Magnetic Coupling of Coordinated Verdazyl Radicals through Diamagnetic Metal Ions. Synthesis, Structure, and Magnetism of a Homoleptic Copper(I) Complex","Inorganic Chemistry","2001","40","","6521","6524","10.1021/ic0105664","","","0.71073","MoKα","","0.1007","0.0541","","","0.1516","0.1864","","","","","","1.034","","","","has coordinates","179309","2020-10-21","18:00:00","" "4320654","10.15","0.003","19.23","0.005","12.25","0.003","90","","95.6","0.013","90","","2379.6","1.1","293","","293","","","","","","","","prepared in the laboratory","5","P 1 21/c 1","-P 2ybc","14","","","","- C29 H26 B2 N2 O3 -","- C29 H26 B2 N2 O3 -","- C116 H104 B8 N8 O12 -","4","1","","Mario Sánchez; Herbert Höpfl; Maria-Eugenia Ochoa; Norberto Farfán; Rosa Santillan; Susana Rojas-Lima","Preparation of Seven- and Eight-Membered Boron Heterocycles from Different Salen Ligands and Arylboronic Acids","Inorganic Chemistry","2001","40","","6405","6412","10.1021/ic010580g","","","0.71073","MoKα","","","0.0562","","","","0.0596","","","","","","3.7075","","","","has coordinates","176467","2020-10-21","18:00:00","" "4320655","13.985","","13.831","","15.298","","90","","97.57","","90","","2933.25","","293","","293","","","","","","","","prepared in the laboratory","5","P 1 21/c 1","-P 2ybc","14","","","","- C32 H34 B2 N2 O4 -","- C32 H34 B2 N2 O4 -","- C128 H136 B8 N8 O16 -","4","1","","Mario Sánchez; Herbert Höpfl; Maria-Eugenia Ochoa; Norberto Farfán; Rosa Santillan; Susana Rojas-Lima","Preparation of Seven- and Eight-Membered Boron Heterocycles from Different Salen Ligands and Arylboronic Acids","Inorganic Chemistry","2001","40","","6405","6412","10.1021/ic010580g","","","0.71069","MoKα","","","0.0453","","","","0.0407","","","","","","0.7976","","","","has coordinates","176467","2020-10-21","18:00:00","" "4320656","17.784","0.004","7.965","0.0015","23.028","0.005","90","","90","","90","","3261.9","1.2","293","2","293","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C35 H40 B2 N2 O4 -","- C35 H40 B2 N2 O4 -","- C140 H160 B8 N8 O16 -","4","1","","Mario Sánchez; Herbert Höpfl; Maria-Eugenia Ochoa; Norberto Farfán; Rosa Santillan; Susana Rojas-Lima","Preparation of Seven- and Eight-Membered Boron Heterocycles from Different Salen Ligands and Arylboronic Acids","Inorganic Chemistry","2001","40","","6405","6412","10.1021/ic010580g","","","0.71073","MoKα","","0.166","0.0457","","","0.081","0.1063","","","","","","0.748","","","","has coordinates","179309","2020-10-21","18:00:00","" "4320657","9.735","0.0004","21.4186","0.0009","12.1635","0.0005","90","","100.936","0.001","90","","2490.15","0.18","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C28 H20 B2 F4 N2 O3 -","- C28 H20 B2 F4 N2 O3 -","- C112 H80 B8 F16 N8 O12 -","4","1","","Mario Sánchez; Herbert Höpfl; Maria-Eugenia Ochoa; Norberto Farfán; Rosa Santillan; Susana Rojas-Lima","Preparation of Seven- and Eight-Membered Boron Heterocycles from Different Salen Ligands and Arylboronic Acids","Inorganic Chemistry","2001","40","","6405","6412","10.1021/ic010580g","","","0.71073","MoKα","","0.079","0.0397","","","0.086","0.0979","","","","","","0.848","","","","has coordinates","179309","2020-10-21","18:00:00","" "4320658","28.597","0.0017","13.019","0.0007","20.315","0.0012","90","","132.896","0.001","90","","5540.8","0.6","293","","293","","","","","","","","prepared in the laboratory","6","C 1 2/c 1","-C 2yc","15","","","","- C30 H24 B2 F4 N2 O3 -","- C30 H24 B2 F4 N2 O3 -","- C240 H192 B16 F32 N16 O24 -","8","1","","Mario Sánchez; Herbert Höpfl; Maria-Eugenia Ochoa; Norberto Farfán; Rosa Santillan; Susana Rojas-Lima","Preparation of Seven- and Eight-Membered Boron Heterocycles from Different Salen Ligands and Arylboronic Acids","Inorganic Chemistry","2001","40","","6405","6412","10.1021/ic010580g","","","0.71073","MoKα","","","0.0444","","","","0.04","","","","","","1.1525","","","","has coordinates","176467","2020-10-21","18:00:00","" "4320659","17.504","0.009","21.94","0.001","15.726","0.001","90","","117.37","0.05","90","","5363","4","298","","298","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C40 H68 Br6 Cd3 N14 O3 -","- C40 H60 Br6 Cd3 N14 O3 -","- C160 H240 Br24 Cd12 N56 O12 -","4","0.5","","Paloma Arranz; Carla Bazzicalupi; Andrea Bencini; Antonio Bianchi; Samuele Ciattini; Patrizia Fornasari; Claudia Giorgi; Barbara Valtancoli","Cd(II) and Pb(II) Complexation by Dipyridine-Containing Macrocycles with Different Molecular Architecture. Effect of Complex Protonation on Metal Coordination Environment","Inorganic Chemistry","2001","40","","6383","6389","10.1021/ic010597z","","","0.71069","MoKα","","0.2832","0.0972","","","0.2591","0.3473","","","","","","0.987","","","","has coordinates","179309","2020-10-21","18:00:00","" "4320660","11.335","0.005","28.526","0.005","19.635","0.005","90","0.005","106.43","0.005","90","0.005","6090","3","298","","298","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C71 H77 B2 N7 Pb -","- C71 H75 B2 N7 Pb -","- C284 H300 B8 N28 Pb4 -","4","1","","Paloma Arranz; Carla Bazzicalupi; Andrea Bencini; Antonio Bianchi; Samuele Ciattini; Patrizia Fornasari; Claudia Giorgi; Barbara Valtancoli","Cd(II) and Pb(II) Complexation by Dipyridine-Containing Macrocycles with Different Molecular Architecture. Effect of Complex Protonation on Metal Coordination Environment","Inorganic Chemistry","2001","40","","6383","6389","10.1021/ic010597z","","","0.71069","MoKα","","0.0912","0.0545","","","0.1197","0.1475","","","","","","1.052","","","","has coordinates","179309","2020-10-21","18:00:00","" "4320661","12.604","0.003","14.711","0.003","4.098","0.001","90","","90","","90","","759.8","0.3","293","2","293","2","","","","","","","","3","P b a m","-P 2 2ab","55","","","","- Ce Ga8 Ru1.91 -","- Ce Ga8 Ru1.913 -","- Ce4 Ga32 Ru7.652 -","4","0.5","","Martin Schlüter; Wolfgang Jeitschko","Ternary Lanthanoid Ruthenium Gallides with a High Gallium Content: Ln2Ru3Ga10 (Ln = Yb, Lu) with a New Structure Type and LnRu2Ga8 (Ln = La-Nd) with CaCo2Al8-type Structure","Inorganic Chemistry","2001","40","","6362","6368","10.1021/ic010629i","","","0.71073","MoKα","","0.0489","0.0202","","","0.0446","0.0572","","","","","","1.062","","","","has coordinates","179309","2020-10-21","18:00:00","" "4320662","12.591","0.003","14.708","0.003","4.072","0.001","90","","90","","90","","754.1","0.3","293","2","293","2","","","","","","","","3","P b a m","-P 2 2ab","55","","","","- Ga8 Nd Ru1.86 -","- Ga8 Nd Ru1.858 -","- Ga32 Nd4 Ru7.432 -","4","0.5","","Martin Schlüter; Wolfgang Jeitschko","Ternary Lanthanoid Ruthenium Gallides with a High Gallium Content: Ln2Ru3Ga10 (Ln = Yb, Lu) with a New Structure Type and LnRu2Ga8 (Ln = La-Nd) with CaCo2Al8-type Structure","Inorganic Chemistry","2001","40","","6362","6368","10.1021/ic010629i","","","0.71073","MoKα","","0.06","0.0208","","","0.0428","0.0547","","","","","","1.068","","","","has coordinates","179309","2020-10-21","18:00:00","" "4320663","8.819","0.001","8.819","0.001","6.325","0.001","90","","90","","90","","491.93","0.11","293","2","293","2","","","","","","","","3","P 4/m b m","-P 4 2ab","127","","","","- Ga10 Ru3 Yb2 -","- Ga10 Ru3 Yb2 -","- Ga20 Ru6 Yb4 -","2","0.125","","Martin Schlüter; Wolfgang Jeitschko","Ternary Lanthanoid Ruthenium Gallides with a High Gallium Content: Ln2Ru3Ga10 (Ln = Yb, Lu) with a New Structure Type and LnRu2Ga8 (Ln = La-Nd) with CaCo2Al8-type Structure","Inorganic Chemistry","2001","40","","6362","6368","10.1021/ic010629i","","","0.71073","MoKα","","0.0381","0.0334","","","0.0839","0.0904","","","","","","1.167","","","","has coordinates","179309","2020-10-21","18:00:00","" "4320664","17.3859","0.001","7.1433","0.0004","24.0212","0.0014","90","","95.015","0.001","90","","2971.8","0.3","173","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- Cs4 P2 S10 -","- Cs4 P2 S10 -","- Cs24 P12 S60 -","6","1.5","","Jennifer A. Aitken; Christian Canlas; David P. Weliky; Mercouri G. Kanatzidis","[P2S10]4-: A Novel Polythiophosphate Anion Containing a Tetrasulfide Fragment","Inorganic Chemistry","2001","40","","6496","6498","10.1021/ic010664p","","","0.71073","MoKα","","0.0515","0.0308","","","0.0536","0.0571","","","","","","0.917","","","","has coordinates","179309","2020-10-21","18:00:00","" "4320665","10.0793","0.0016","12.0241","0.0018","19.503","0.003","93.483","0.005","93.217","0.002","102.516","0.003","2297.4","0.6","110","2","110","2","","","","","","","","9","P -1","-P 1","2","","","","- C44 H71 B Cu F4 Fe N O2 P2 -","- C44 H71 B Cu F4 Fe N O2 P2 -","- C88 H142 B2 Cu2 F8 Fe2 N2 O4 P4 -","2","1","","Donald J. Darensbourg; Way-Zen Lee; Jason C. Yarbrough","Synthesis and Characterization of a Monocyanide-Bridged Bimetallic Iron(II) and Copper(I) Complex","Inorganic Chemistry","2001","40","","6533","6536","10.1021/ic010683z","","","0.71073","MoKα","","0.1135","0.0758","","","0.1946","0.2299","","","","","","0.741","","","","has coordinates,has disorder","179309","2020-10-21","18:00:00","" "4320666","5.8658","0.0011","10.519","0.002","12.847","0.002","90","","90","","90","","792.7","0.2","110","2","110","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C8 H5 Fe N O2 -","- C8 H5 Fe N O2 -","- C32 H20 Fe4 N4 O8 -","4","1","","Donald J. Darensbourg; Way-Zen Lee; Jason C. Yarbrough","Synthesis and Characterization of a Monocyanide-Bridged Bimetallic Iron(II) and Copper(I) Complex","Inorganic Chemistry","2001","40","","6533","6536","10.1021/ic010683z","","","0.71073","MoKα","","0.0453","0.0431","","","0.1086","0.1098","","","","","","1.051","","","","has coordinates","179309","2020-10-21","18:00:00","" "4320667","11.8561","0.0009","7.8275","0.0006","14.1601","0.0011","90","","106.412","0.001","90","","1260.56","0.17","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C13 H15 Fe N O2 -","- C13 H15 Fe N O2 -","- C52 H60 Fe4 N4 O8 -","4","1","","Donald J. Darensbourg; Way-Zen Lee; Jason C. Yarbrough","Synthesis and Characterization of a Monocyanide-Bridged Bimetallic Iron(II) and Copper(I) Complex","Inorganic Chemistry","2001","40","","6533","6536","10.1021/ic010683z","","","0.71073","MoKα","","0.0742","0.0574","","","0.1367","0.1491","","","","","","1.01","","","","has coordinates","179309","2020-10-21","18:00:00","" "4320668","25.11","0.004","8.7234","0.0012","18.43","0.003","90","","129.155","0.002","90","","3130.4","0.8","295","2","295","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C30 H46 Mg N4 -","- C30 H46 Mg N4 -","- C120 H184 Mg4 N16 -","4","0.5","","Azwana R. Sadique; Mary Jane Heeg; Charles H. Winter","Monomeric and Dimeric Amidinate Complexes of Magnesium","Inorganic Chemistry","2001","40","","6349","6355","10.1021/ic0106928","","","0.71073","MoKα","","0.161","0.0535","","","0.1313","0.1596","","","","","","0.832","","","","has coordinates,has disorder","179309","2020-10-21","18:00:00","" "4320669","23.447","0.003","9.736","0.0012","18.431","0.002","90","","111.095","0.002","90","","3925.5","0.8","295","2","295","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C32 H68 Mg2 N8 -","- C32 H68 Mg2 N8 -","- C128 H272 Mg8 N32 -","4","0.5","","Azwana R. Sadique; Mary Jane Heeg; Charles H. Winter","Monomeric and Dimeric Amidinate Complexes of Magnesium","Inorganic Chemistry","2001","40","","6349","6355","10.1021/ic0106928","","","0.71073","MoKα","","0.1368","0.0422","","","0.1001","0.1178","","","","","","0.666","","","","has coordinates","179309","2020-10-21","18:00:00","" "4320670","10.135","0.002","17.162","0.004","22.503","0.005","90","","91.799","0.005","90","","3912.2","1.5","295","2","295","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C32 H68 Mg2 N8 -","- C32 H68 Mg2 N8 -","- C128 H272 Mg8 N32 -","4","1","","Azwana R. Sadique; Mary Jane Heeg; Charles H. Winter","Monomeric and Dimeric Amidinate Complexes of Magnesium","Inorganic Chemistry","2001","40","","6349","6355","10.1021/ic0106928","","","0.71073","MoKα","","0.2269","0.0395","","","0.0721","0.0896","","","","","","0.618","","","","has coordinates,has disorder","179309","2020-10-21","18:00:00","" "4320671","15.052","0.001","15.477","0.002","19.618","0.002","81.417","0.008","87.803","0.006","77.328","0.007","4408.9","0.8","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C48.75 H40.25 B2 Co N12.75 O0.75 -","- C48.375 H38 B2 Co N12.375 O0.75 -","- C193.5 H152 B8 Co4 N49.5 O3 -","4","2","","A. L. Rheingold; L. M. Liable-Sands; S. Trofimenko","Hydrotris[3-(1-naphthylpyrazol-1-yl)]borate and Hydrotris[3-(2-naphthylpyrazol-1-yl)]borate: Two Novel Homoscorpionate Ligands of Varying Coordination Behavior","Inorganic Chemistry","2001","40","","6509","6513","10.1021/ic010751h","","","0.71073","MoKα","","0.114","0.0701","","0.1563","0.145","","","","1.697","1.974","1.974","","","","","has coordinates","179309","2020-10-21","18:00:00","" "4320672","17.0174","0.0001","13.7697","0.0002","18.3586","0.0002","90","","90.645","0.001","90","","4301.6","0.08","228","2","228","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C48 H38 B2 Co N12 -","- C48 H38 B2 Co N12 -","- C192 H152 B8 Co4 N48 -","4","1","","A. L. Rheingold; L. M. Liable-Sands; S. Trofimenko","Hydrotris[3-(1-naphthylpyrazol-1-yl)]borate and Hydrotris[3-(2-naphthylpyrazol-1-yl)]borate: Two Novel Homoscorpionate Ligands of Varying Coordination Behavior","Inorganic Chemistry","2001","40","","6509","6513","10.1021/ic010751h","","","0.71073","MoKα","","0.0894","0.0493","","0.12","0.1076","","","","1.027","1.183","1.183","","","","","has coordinates","179309","2020-10-21","18:00:00","" "4320673","10.7538","0.0003","16.6928","0.0004","28.8725","0.0008","90","","97.7491","0.0012","90","","5135.6","0.2","223","2","223","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C54 H50 B2 Co N12 -","- C54 H50 B2 Co N12 -","- C216 H200 B8 Co4 N48 -","4","1","","A. L. Rheingold; L. M. Liable-Sands; S. Trofimenko","Hydrotris[3-(1-naphthylpyrazol-1-yl)]borate and Hydrotris[3-(2-naphthylpyrazol-1-yl)]borate: Two Novel Homoscorpionate Ligands of Varying Coordination Behavior","Inorganic Chemistry","2001","40","","6509","6513","10.1021/ic010751h","","","0.71073","MoKα","","0.1377","0.0725","","","0.1723","0.2052","","","","","","0.999","","","","has coordinates","179309","2020-10-21","18:00:00","" "4320674","17.149","0.0001","13.124","0.0001","13.777","0.0001","90","","108.798","0.001","90","","2935.31","0.04","200","2","200","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C29 H41 Cl2 Ga N2 -","- C29 H41 Cl2 Ga N2 -","- C116 H164 Cl8 Ga4 N8 -","4","1","","Malcolm H. Chisholm; Diana Navarro-Llobet; Judith Gallucci","Siloxide and Triflate Gallium(III) Complexes Supported by the BDI Ligand","Inorganic Chemistry","2001","40","","6506","6508","10.1021/ic010771j","","","0.71073","MoKα","","0.0418","0.0299","","0.076","0.0717","","","","1.063","1.109","1.109","","","","","has coordinates","179309","2020-10-21","18:00:00","" "4320675","9.1113","0.0001","20.1484","0.0002","10.1963","0.0001","90","","115.313","0.001","90","","1692.1","0.03","150","2","150","2","","","","","","","","7","P 1 21/m 1","-P 2yb","11","","","","- C32 H50 Cl Ga N2 O Si -","- C32 H50 Cl Ga N2 O Si -","- C64 H100 Cl2 Ga2 N4 O2 Si2 -","2","0.5","","Malcolm H. Chisholm; Diana Navarro-Llobet; Judith Gallucci","Siloxide and Triflate Gallium(III) Complexes Supported by the BDI Ligand","Inorganic Chemistry","2001","40","","6506","6508","10.1021/ic010771j","","","0.71073","MoKα","","0.0373","0.0295","","0.0766","0.073","","","","1.038","1.065","1.065","","","","","has coordinates","179309","2020-10-21","18:00:00","" "4320676","12.0038","0.0014","22.169","0.002","14.9766","0.0019","90","","99.292","0.015","90","","3933.2","0.8","148","","148","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","(hydridotris(pyrazolyl)borate)(triphenylphosphine) (carbonmonoxide)ruthenium(II) phenylamido","","- C44.5 H43 B N7 O P Ru -","- C46 H47 B N7 O P Ru -","- C184 H188 B4 N28 O4 P4 Ru4 -","4","1","","K. N. Jayaprakash; T. Brent Gunnoe; Paul D. Boyle","Preparation of the Octahedral d6Amido Complex TpRu(CO)(PPh3)(NHPh) (Tp = Hydridotris(pyrazolyl)borate): Solid-State Structural Characterization and Reactivity","Inorganic Chemistry","2001","40","","6481","6486","10.1021/ic010785p","","","0.71073","MolybdenumKα","","0.037","0.037","","0.039","0.039","","","","","1.4","1.4","","","","","has coordinates","176467","2020-10-21","18:00:00","" "4320677","33.981","0.002","16.2356","0.0008","23.0511","0.0011","90","","121.616","0.001","90","","10829.8","1","295","2","295","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C30 H50 N10 Ti -","- C30 H50 N10 Ti -","- C360 H600 N120 Ti12 -","12","1.5","","Carlos Yélamos; Karl R. Gust; Anwar G. Baboul; Mary Jane Heeg; H. Bernhard Schlegel; Charles H. Winter","Early Transition Metal Complexes Containing 1,2,4-Triazolato and Tetrazolato Ligands: Synthesis, Structure, and Molecular Orbital Studies","Inorganic Chemistry","2001","40","","6451","6462","10.1021/ic0109389","","","0.71073","MoKα","","0.1284","0.0555","","0.1676","0.1366","","","","0.91","1.045","1.045","","","","","has coordinates","179309","2020-10-21","18:00:00","" "4320678","10.2054","0.0011","37.372","0.004","10.856","0.0013","90","","96.506","0.002","90","","4113.8","0.8","295","2","295","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C37 H63 N9 Ti -","- C37 H63 N9 Ti -","- C148 H252 N36 Ti4 -","4","1","","Carlos Yélamos; Karl R. Gust; Anwar G. Baboul; Mary Jane Heeg; H. Bernhard Schlegel; Charles H. Winter","Early Transition Metal Complexes Containing 1,2,4-Triazolato and Tetrazolato Ligands: Synthesis, Structure, and Molecular Orbital Studies","Inorganic Chemistry","2001","40","","6451","6462","10.1021/ic0109389","","","0.71073","MoKα","","0.326","0.0549","","","0.1053","0.1443","","","","","","0.646","","","","has coordinates,has disorder","179309","2020-10-21","18:00:00","" "4320679","10.5765","0.0005","19.5647","0.0009","19.4647","0.0009","90","","98.77","0.001","90","","3980.7","0.3","273","2","273","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C35 H59 N9 Ti -","- C35 H59 N9 Ti -","- C140 H236 N36 Ti4 -","4","1","","Carlos Yélamos; Karl R. Gust; Anwar G. Baboul; Mary Jane Heeg; H. Bernhard Schlegel; Charles H. Winter","Early Transition Metal Complexes Containing 1,2,4-Triazolato and Tetrazolato Ligands: Synthesis, Structure, and Molecular Orbital Studies","Inorganic Chemistry","2001","40","","6451","6462","10.1021/ic0109389","","","0.71073","MoKα","","0.095","0.0508","","0.1543","0.1382","","","","0.891","1.056","1.056","","","","","has coordinates","179309","2020-10-21","18:00:00","" "4320680","14.2966","0.0008","23.9396","0.0014","14.75","0.0008","90","","90","","90","","5048.3","0.5","295","2","295","2","","","","","","","","4","C 2 2 21","C 2c 2","20","","","","- C41 H69 N12 Nb -","- C41 H69 N12 Nb -","- C164 H276 N48 Nb4 -","4","0.5","","Carlos Yélamos; Karl R. Gust; Anwar G. Baboul; Mary Jane Heeg; H. Bernhard Schlegel; Charles H. Winter","Early Transition Metal Complexes Containing 1,2,4-Triazolato and Tetrazolato Ligands: Synthesis, Structure, and Molecular Orbital Studies","Inorganic Chemistry","2001","40","","6451","6462","10.1021/ic0109389","","","0.71073","MoKα","","0.0743","0.0492","","0.0996","0.091","","","","1.024","1.064","1.064","","","","","has coordinates","179309","2020-10-21","18:00:00","" "4320681","21.4902","0.0008","10.2628","0.0004","20.4131","0.001","90","","102.871","0.002","90","","4389","0.3","295","2","295","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C40 H62 N10 Ti -","- C40 H62 N10 Ti -","- C160 H248 N40 Ti4 -","4","1","","Carlos Yélamos; Karl R. Gust; Anwar G. Baboul; Mary Jane Heeg; H. Bernhard Schlegel; Charles H. Winter","Early Transition Metal Complexes Containing 1,2,4-Triazolato and Tetrazolato Ligands: Synthesis, Structure, and Molecular Orbital Studies","Inorganic Chemistry","2001","40","","6451","6462","10.1021/ic0109389","","","0.71073","MoKα","","0.3166","0.1004","","0.2582","0.1784","","","","0.922","1.225","1.225","","","","","has coordinates","179309","2020-10-21","18:00:00","" "4320682","12.6843","0.0002","18.3911","0.0003","13.1692","0.0003","90","","112.85","0.001","90","","2831","0.09","295","2","295","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C47 H67 N14 Nb -","- C47 H67 N14 Nb -","- C94 H134 N28 Nb2 -","2","1","","Carlos Yélamos; Karl R. Gust; Anwar G. Baboul; Mary Jane Heeg; H. Bernhard Schlegel; Charles H. Winter","Early Transition Metal Complexes Containing 1,2,4-Triazolato and Tetrazolato Ligands: Synthesis, Structure, and Molecular Orbital Studies","Inorganic Chemistry","2001","40","","6451","6462","10.1021/ic0109389","","","0.71073","MoKα","","0.0682","0.0523","","0.1459","0.1388","","","","1.041","1.107","1.107","","","","","has coordinates,has disorder","179309","2020-10-21","18:00:00","" "4320683","11.29","0.002","11.942","0.002","15.458","0.002","90","","90","","90","","2084.1","0.6","295","2","295","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","rac-[ethylenebis(4,7-dimethyl-η^5^-1-indenyl)]dimethylzirconium","","- C26 H30 Zr -","- C26 H30 Zr -","- C104 H120 Zr4 -","4","1","","Davide Balboni; Isabella Camurati; Giansiro Prini; Luigi Resconi; Simona Galli; Pierluigi Mercandelli; Angelo Sironi","Group 4 Dimethylmetallocenes: Improved Synthesis and Reactivity Studies","Inorganic Chemistry","2001","40","","6588","6597","10.1021/ic010018q","","","0.71073","MoKα","","","0.0293","","","","0.0664","","","","","","1.08","","","","has coordinates,has disorder","179309","2020-10-21","18:00:00","" "4320684","15.301","0.004","15.289","0.006","14.334","0.005","90","","114.52","0.02","90","","3050.8","1.9","295","2","295","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","rac-[ethylenebis(4,7-dimethyl-η^5^-1-indenyl)] bis(pentafluorophenoxo)zirconium","","- C36 H24 F10 O2 Zr -","- C36 H24 F10 O2 Zr -","- C144 H96 F40 O8 Zr4 -","4","1","","Davide Balboni; Isabella Camurati; Giansiro Prini; Luigi Resconi; Simona Galli; Pierluigi Mercandelli; Angelo Sironi","Group 4 Dimethylmetallocenes: Improved Synthesis and Reactivity Studies","Inorganic Chemistry","2001","40","","6588","6597","10.1021/ic010018q","","","0.71073","MoKα","","","0.0351","","","","0.0709","","","","","","1.082","","","","has coordinates","179309","2020-10-21","18:00:00","" "4320685","7.4149","0.0005","7.7953","0.0005","17.1482","0.0009","98.341","0.005","93.91","0.005","107.084","0.005","930.98","0.1","298","","298","","","","","","","","","7","P -1","-P 1","2","","","","- C9 H21 Ag Cl N3 O4 S3 -","- C9 H21 Ag Cl N3 O4 S3 -","- C18 H42 Ag2 Cl2 N6 O8 S6 -","2","1","","Christina M. V. Stålhandske; Claes I. Stålhandske; Ingmar Persson; Magnus Sandström; Farideh Jalilehvand","Crystal and Solution Structures of N,N-Dimethylthioformamide-Solvated Copper(I), Silver(I), and Gold(I) Ions Studied by X-ray Diffraction, X-ray Absorption, and Vibrational Spectroscopy","Inorganic Chemistry","2001","40","","6684","6693","10.1021/ic010226i","","","0.7107","MoKalpha","","","0.0402","","","0.052","","","","","1.746","1.746","","","","","has coordinates","179309","2020-10-21","18:00:00","" "4320686","9.8448","0.0005","10.4619","0.0005","11.4419","0.0006","111.781","0.001","107.377","0.001","92.768","0.001","1027.42","0.09","123.2","","123.2","","","","","","","","","4","P -1","-P 1","2","","","","- C9 H13 N3 O3 -","- C9 H13 N3 O2.75 -","- C36 H52 N12 O11 -","4","2","","Christopher J. Sunderland; Mauro Botta; Silvio Aime; Kenneth N. Raymond","6-Carboxamido-5,4-Hydroxypyrimidinones: A New Class of Heterocyclic Ligands and Their Evaluation as Gadolinium Chelating Agents","Inorganic Chemistry","2001","40","","6746","6756","10.1021/ic010313a","","","0.7107","MoKalpha","","","0.0419","","","0.0551","","","","","2.135","2.135","","","","","has coordinates","176467","2020-10-21","18:00:00","" "4320687","6.978","0.004","23.7","0.008","5.344","0.005","90","","90","","90","","883.8","1","123.2","","","","","","","","","","","6","I 2 2 2","I 2 2","23","","","","- C12 H28 Br3 Cu0.5 N4 Pt0.5 -","- C12 H28 Br3 Cu0.5 N4 Pt0.5 -","- C24 H56 Br6 Cu N8 Pt -","2","0.25","","Takuya Kawashima; Kenzi Takai; Hidemitsu Aso; Toshio Manabe; Kouichi Takizawa; Chihiro Kachi-Terajima; Tomohiko Ishii; Hitoshi Miyasaka; Hiroyuki Matsuzaka; Masahiro Yamashita; Hiroshi Okamoto; Hiroshi Kitagawa; Motoo Shiro; Koshiro Toriumi","Syntheses and Physical Properties of Quasi-One-Dimensional Halogen-Bridged CuII-PtIV Mixed-Metal Complexes [Cu(chxn)2][PtX2(chxn)2]X4","Inorganic Chemistry","2001","40","","6651","6655","10.1021/ic010341t","","","0.7107","MoKα","","","0.037","","","","0.098","","","","","","1.04","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00","" "4320688","24.237","0.001","5.103","0.001","6.854","0.001","90","","90","","90","","847.7","0.2","293","","","","","","","","","","","6","I 2 2 2","I 2 2","23","","","","- C24 H56 Cl6 Cu N8 Pt -","- C24 H56 Cl6 Cu0.986 N8 Pt1.014 -","- C24 H56 Cl6 Cu0.986 N8 Pt1.014 -","1","0.125","","Takuya Kawashima; Kenzi Takai; Hidemitsu Aso; Toshio Manabe; Kouichi Takizawa; Chihiro Kachi-Terajima; Tomohiko Ishii; Hitoshi Miyasaka; Hiroyuki Matsuzaka; Masahiro Yamashita; Hiroshi Okamoto; Hiroshi Kitagawa; Motoo Shiro; Koshiro Toriumi","Syntheses and Physical Properties of Quasi-One-Dimensional Halogen-Bridged CuII-PtIV Mixed-Metal Complexes [Cu(chxn)2][PtX2(chxn)2]X4","Inorganic Chemistry","2001","40","","6651","6655","10.1021/ic010341t","","","0.7107","MoKα","","","0.019","","","","0.0236","","","","","","1.138","","","","has coordinates","176467","2020-10-21","18:00:00","" "4320689","16.775","0.001","18.298","0.001","15.268","0.001","90","","102.128","0.001","90","","4581.9","0.5","160","2","160","2","","","","","","","","8","C 1 2/m 1","-C 2y","12","none","Bis(heptaaquadichloro-tetrakis(mu3-sulphido)- trimolybdenium)-mercury(0) tetrachloride cucurbituril adduct tetradecahydrate.","","- C36 H92 Cl8 Hg Mo6 N24 O40 S8 -","- C36 H36 Cl8.02 Hg Mo6 N24 O39.98 S8 -","- C72 H72 Cl16.04 Hg2 Mo12 N48 O79.96 S16 -","2","0.25","","Vladimir P. Fedin; Maxim Sokolov; Gert J. Lamprecht; Rita Hernandez-Molina; Mi-Sook Seo; Alexander V. Virovets; William Clegg; A. Geoffrey Sykes","Preparation, Structure, and Properties of the Corner-Shared Double Cubes [Mo6HgQ8(H2O)18]8+ (Q = S, Se) and Tungsten Analogues","Inorganic Chemistry","2001","40","","6598","6603","10.1021/ic010362n","","","0.71073","MoKα","","0.0914","0.045","","","0.1109","0.1197","","","","","","0.957","","","","has coordinates","179309","2020-10-21","18:00:00","" "4320690","16.832","0.002","18.34","0.002","15.287","0.002","90","","101.842","0.002","90","","4618.6","1","160","2","160","2","","","","","","","","8","C 1 2/m 1","-C 2y","12","none","Bis(heptaaquadichloro-tetrakis(mu3-selenido)- trimolybdenium)-mercury(0) tetrachloride cucurbituril adduct tetradecahydrate.","","- C36 H92 Cl8 Hg Mo6 N24 O40 Se8 -","- C36 H36 Cl8.02 Hg Mo6 N24 O39.976 Se8 -","- C72 H72 Cl16.04 Hg2 Mo12 N48 O79.952 Se16 -","2","0.25","","Vladimir P. Fedin; Maxim Sokolov; Gert J. Lamprecht; Rita Hernandez-Molina; Mi-Sook Seo; Alexander V. Virovets; William Clegg; A. Geoffrey Sykes","Preparation, Structure, and Properties of the Corner-Shared Double Cubes [Mo6HgQ8(H2O)18]8+ (Q = S, Se) and Tungsten Analogues","Inorganic Chemistry","2001","40","","6598","6603","10.1021/ic010362n","","","0.71073","MoKα","","0.0992","0.0476","","","0.1134","0.1218","","","","","","0.927","","","","has coordinates","179309","2020-10-21","18:00:00","" "4320691","12.433","0.003","16.348","0.003","24.774","0.005","90","","99.15","0.03","90","","4971.4","1.9","203","2","203","2","","","","","","","","4","P 1 2/c 1","-P 2yc","13","","","","- C52 H73 Mo O7.5 -","- C52 H73 Mo O7.5 -","- C208 H292 Mo4 O30 -","4","1","","Udo Radius","Shaping the Cavity of the Macrocyclic Ligand in Metallocalix[4]arenes: The Role of the Ligand Sphere","Inorganic Chemistry","2001","40","","6637","6642","10.1021/ic010482v","","","0.71073","MoKα","","0.0773","0.0622","","","0.1681","0.1855","","","","","","1.063","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00","" "4320692","21.639","0.004","20.152","0.004","12.75","0.003","90","","95.68","0.03","90","","5533","2","190","2","190","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C60 H71 Cl2 O4 Ti -","- C60 H71 Cl2 O4 Ti -","- C240 H284 Cl8 O16 Ti4 -","4","1","","Udo Radius","Shaping the Cavity of the Macrocyclic Ligand in Metallocalix[4]arenes: The Role of the Ligand Sphere","Inorganic Chemistry","2001","40","","6637","6642","10.1021/ic010482v","","","0.71073","MoKα","","0.0653","0.054","","","0.1604","0.1675","","","","","","1.092","","","","has coordinates,has disorder","179309","2020-10-21","18:00:00","" "4320693","7.0131","0.0006","20.213","0.003","10.5327","0.0014","90","","107.005","0.009","90","","1427.8","0.3","160","2","160","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C8 H15 B10 Br -","- C8 H15 B10 Br -","- C32 H60 B40 Br4 -","4","1","","Clara Viñas; Gemma Barberà; Josep M. Oliva; Francesc Teixidor; Alan J. Welch; Georgina M. Rosair","Are Halocarboranes Suitable for Substitution Reactions? The Case for 3-I-1,2-closo-C2B10H11: Molecular Orbital Calculations, Aryldehalogenation Reactions,11B NMR Interpretation of closo-Carboranes, and Molecular Structures of 1-Ph-3-Br-1,2-closo-C2B10H10 and 3-Ph-1,2-closo-C2B10H11","Inorganic Chemistry","2001","40","","6555","6562","10.1021/ic010493o","","","0.71073","MoKα","","0.0636","0.0455","","","0.1176","0.1313","","","","","","1.08","","","","has coordinates","179309","2020-10-21","18:00:00","" "4320694","10.405","0.002","9.779","0.002","12.746","0.002","90","","99.26","0.02","90","","1280","0.4","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C8 H16 B10 -","- C8 H16 B10 -","- C32 H64 B40 -","4","1","","Clara Viñas; Gemma Barberà; Josep M. Oliva; Francesc Teixidor; Alan J. Welch; Georgina M. Rosair","Are Halocarboranes Suitable for Substitution Reactions? The Case for 3-I-1,2-closo-C2B10H11: Molecular Orbital Calculations, Aryldehalogenation Reactions,11B NMR Interpretation of closo-Carboranes, and Molecular Structures of 1-Ph-3-Br-1,2-closo-C2B10H10 and 3-Ph-1,2-closo-C2B10H11","Inorganic Chemistry","2001","40","","6555","6562","10.1021/ic010493o","","","0.71073","MoKα","","0.0708","0.0499","","","0.1258","0.1399","","","","","","1.042","","","","has coordinates","179309","2020-10-21","18:00:00","" "4320695","12.427","0.002","17.498","0.005","18.785","0.003","117.51","0.02","100.115","0.014","97.51","0.02","3460","1.5","293","2","293","2","","","","","","","","9","P -1","-P 1","2","","","","- C53 H72 Au B20 Cl2 Mo2 N3 O6 P2 -","- C53 H72 Au B20 Cl2 Mo2 N3 O6 P2 -","- C106 H144 Au2 B40 Cl4 Mo4 N6 O12 P4 -","2","1","","Shaowu Du; Jason A. Kautz; Thomas D. McGrath; F. Gordon A. Stone","Synthesis and Reactivity of the Monocarbon Molybdenacarborane Anion [1,2-μ-NHBut-2,2,2-(CO)3-closo-2,1-MoCB10H10]-","Inorganic Chemistry","2001","40","","6563","6571","10.1021/ic010508i","","","0.71073","MoKα","","0.0636","0.0407","","","0.0872","0.0956","","","","","","1.089","","","","has coordinates","288183","2023-12-08","14:42:59","" "4320696","9.8637","0.0007","15.146","0.002","18.481","0.002","91.484","0.01","104.077","0.007","97.696","0.009","2649","0.5","173","2","173","2","","","","","","","","8","P -1","-P 1","2","","","","- C46 H54 B10 Cl4 N2 O3 P2 W -","- C46 H52 B10 Cl4 N2 O3 P2 W -","- C92 H104 B20 Cl8 N4 O6 P4 W2 -","2","1","","Shaowu Du; Jason A. Kautz; Thomas D. McGrath; F. Gordon A. Stone","Synthesis and Reactivity of the Monocarbon Molybdenacarborane Anion [1,2-μ-NHBut-2,2,2-(CO)3-closo-2,1-MoCB10H10]-","Inorganic Chemistry","2001","40","","6563","6571","10.1021/ic010508i","","","0.71073","MoKα","","0.038","0.0304","","","0.0674","0.0709","","","","","","1.053","","","","has coordinates","288183","2023-12-08","14:42:59","" "4320697","12.4537","0.001","10.0216","0.0012","19.863","0.002","90","","94.749","0.008","90","","2470.5","0.4","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C14 H36 B10 Mo N O3 P -","- C14 H36 B10 Mo N O3 P -","- C56 H144 B40 Mo4 N4 O12 P4 -","4","1","","Shaowu Du; Jason A. Kautz; Thomas D. McGrath; F. Gordon A. Stone","Synthesis and Reactivity of the Monocarbon Molybdenacarborane Anion [1,2-μ-NHBut-2,2,2-(CO)3-closo-2,1-MoCB10H10]-","Inorganic Chemistry","2001","40","","6563","6571","10.1021/ic010508i","","","0.71073","MoKα","","0.0302","0.0236","","","0.0564","0.0593","","","","","","1.063","","","","has coordinates","288183","2023-12-08","14:42:59","" "4320698","18.38","0.004","13.147","0.005","22.931","0.007","90","","109.37","0.02","90","","5227","3","298","","298","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C40 H52 Cl5 N11 O21 Ru -","- C40 H42 Cl5 N11 O21 Ru -","- C160 H168 Cl20 N44 O84 Ru4 -","4","1","","Carlos Lodeiro; Fernando Pina; A. Jorge Parola; Andrea Bencini; Antonio Bianchi; Carla Bazzicalupi; Samuele Ciattini; Claudia Giorgi; Andrea Masotti; Barbara Valtancoli; J. Seixas de Melo","Exploring the Photocatalytic Properties and the Long-Lifetime Chemosensor Ability of Cl2[Ru(Bpy)2L] (L = 2,5,8,11,14-Pentaaza[15])-2,2'-bipyridilophane)","Inorganic Chemistry","2001","40","","6813","6819","10.1021/ic0105213","","","0.71069","MoKα","","0.1657","0.0558","","","0.1336","0.1677","","","","","","1.003","","","","has coordinates","179309","2020-10-21","18:00:00","" "4320699","12.01","0.002","12.68","0.003","12.763","0.003","110.63","0.03","101.48","0.03","101.17","0.03","1707.3","0.9","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C27 H36 Cl2 Cr Mn N9 O11 -","- C27 H36 Cl2 Cr Mn N9 O11 -","- C54 H72 Cl4 Cr2 Mn2 N18 O22 -","2","1","","Sylvia Ross; Thomas Weyhermüller; Eckhard Bill; Karl Wieghardt; Phalguni Chaudhuri","Tris(pyridinealdoximato)metal Complexes as Ligands for the Synthesis of Asymmetric Heterodinuclear CrIIIM Species [M = Zn(II), Cu(II), Ni(II), Fe(II), Mn(II), Cr(II), Co(III)]: A Magneto-Structural Study","Inorganic Chemistry","2001","40","","6656","6665","10.1021/ic010552y","","","0.71073","MoKα","","0.0448","0.0403","","0.107","0.1047","","","","0.99","1.052","1.052","","","","","has coordinates","179309","2020-10-21","18:00:00","" "4320700","12.078","0.003","12.38","0.003","12.708","0.003","99.8","0.03","98.94","0.03","113.27","0.03","1667.3","0.9","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C27 H36 Cl2 Cr Fe N9 O11 -","- C27 H36 Cl2 Cr Fe N9 O11 -","- C54 H72 Cl4 Cr2 Fe2 N18 O22 -","2","1","","Sylvia Ross; Thomas Weyhermüller; Eckhard Bill; Karl Wieghardt; Phalguni Chaudhuri","Tris(pyridinealdoximato)metal Complexes as Ligands for the Synthesis of Asymmetric Heterodinuclear CrIIIM Species [M = Zn(II), Cu(II), Ni(II), Fe(II), Mn(II), Cr(II), Co(III)]: A Magneto-Structural Study","Inorganic Chemistry","2001","40","","6656","6665","10.1021/ic010552y","","","0.71073","MoKα","","0.0777","0.0463","","0.113","0.098","","","","1.013","1.049","1.049","","","","","has coordinates","179310","2020-10-21","18:00:00","" "4320701","19.959","0.004","24.313","0.005","14.889","0.003","90","","93.34","0.03","90","","7213","3","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C28 H40 Cl2 Cr N9 Ni O12 -","- C28 H40 Cl2 Cr N9 Ni O12 -","- C224 H320 Cl16 Cr8 N72 Ni8 O96 -","8","1","","Sylvia Ross; Thomas Weyhermüller; Eckhard Bill; Karl Wieghardt; Phalguni Chaudhuri","Tris(pyridinealdoximato)metal Complexes as Ligands for the Synthesis of Asymmetric Heterodinuclear CrIIIM Species [M = Zn(II), Cu(II), Ni(II), Fe(II), Mn(II), Cr(II), Co(III)]: A Magneto-Structural Study","Inorganic Chemistry","2001","40","","6656","6665","10.1021/ic010552y","","","0.71073","MoKα","","0.0668","0.0602","","0.1426","0.1381","","","","1.196","1.231","1.231","","","","","has coordinates","179310","2020-10-21","18:00:00","" "4320702","12.063","0.002","12.627","0.003","12.91","0.003","111.74","0.03","102.04","0.03","101.77","0.03","1698.6","0.9","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C27 H39 Cl2 Cr Cu N9 O11 -","- C27 H39 Cl2 Cr Cu N9 O11 -","- C54 H78 Cl4 Cr2 Cu2 N18 O22 -","2","1","","Sylvia Ross; Thomas Weyhermüller; Eckhard Bill; Karl Wieghardt; Phalguni Chaudhuri","Tris(pyridinealdoximato)metal Complexes as Ligands for the Synthesis of Asymmetric Heterodinuclear CrIIIM Species [M = Zn(II), Cu(II), Ni(II), Fe(II), Mn(II), Cr(II), Co(III)]: A Magneto-Structural Study","Inorganic Chemistry","2001","40","","6656","6665","10.1021/ic010552y","","","0.71073","MoKα","","0.0904","0.0588","","0.1376","0.1138","","","","1.113","1.082","1.082","","","","","has coordinates","179310","2020-10-21","18:00:00","" "4320703","11.989","0.001","12.429","0.002","13.292","0.002","102.55","0.02","107.54","0.02","104","0.02","1740","0.6","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C27 H35 Cl2 Cr N9 Ni O12 P -","- C27 H35 Cl2 Cr N9 Ni O12 P -","- C54 H70 Cl4 Cr2 N18 Ni2 O24 P2 -","2","1","","Sylvia Ross; Thomas Weyhermüller; Eckhard Bill; Karl Wieghardt; Phalguni Chaudhuri","Tris(pyridinealdoximato)metal Complexes as Ligands for the Synthesis of Asymmetric Heterodinuclear CrIIIM Species [M = Zn(II), Cu(II), Ni(II), Fe(II), Mn(II), Cr(II), Co(III)]: A Magneto-Structural Study","Inorganic Chemistry","2001","40","","6656","6665","10.1021/ic010552y","","","0.71073","MoKα","","0.0589","0.0417","","0.1106","0.1007","","","","0.995","1.078","1.078","","","","","has coordinates","179310","2020-10-21","18:00:00","" "4320704","12.411","0.003","15.811","0.003","14.258","0.003","90","","97.44","0.03","90","","2774.3","1.1","130","2","130","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","[Cp*Rh(0.7H~2~O/0.3CH~3~OH)bipy](OTf)~2~.0.7H~2~O","","","- C22.3 H27 F6 N2 O7.7 Rh S2 -","- C22.3 H26.1 F6 N2 O7.7 Rh S2 -","- C89.2 H104.4 F24 N8 O30.8 Rh4 S8 -","4","1","","H. Christine Lo; Carmen Leiva; Olivier Buriez; John B. Kerr; Marilyn M. Olmstead; Richard H. Fish","Bioorganometallic Chemistry. 13. Regioselective Reduction of NAD+ Models, 1-Benzylnicotinamde Triflate and β-Nicotinamide Ribose-5'-methyl Phosphate, with in Situ Generated [Cp*Rh(Bpy)H]+: Structure-Activity Relationships, Kinetics, and Mechanistic Aspects in the Formation of the 1,4-NADH Derivatives","Inorganic Chemistry","2001","40","","6705","6716","10.1021/ic010562z","","","0.71073","MoKα","","0.0806","0.0535","","0.1144","0.101","","","","1.042","1.083","1.083","","","","","has coordinates,has disorder","179310","2020-10-21","18:00:00","" "4320705","8.8259","0.0009","14.5443","0.0012","22.162","0.002","90","","90","","90","","2844.9","0.5","173","2","173","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C33 H25 Cl2 N5 O Os -","- C33 H23 Cl2 N5 O Os -","- C132 H92 Cl8 N20 O4 Os4 -","4","1","","Michael T. Ashby; Susan S. Alguindigue; Justin D. Schwane; Tad A. Daniel","Regular and Inverse Secondary Kinetic Enthalpy Effects (KHE) for the Rate of Inversion of Thioether and 1,1'-Biisoquinoline Complexes of Ruthenium and Osmium","Inorganic Chemistry","2001","40","","6643","6650","10.1021/ic0105720","","","0.71073","MoKα","","0.0274","0.0249","","","0.0571","0.0581","","","","","","1.046","","","","has coordinates","179310","2020-10-21","18:00:00","" "4320706","5.148","0.0004","8.0354","0.0007","12.3827","0.0011","91.341","0.011","101.4","0.01","90.857","0.01","501.88","0.08","","","","","","","","","","","","5","P -1","-P 1","2","","","","- C3 H6 Ga2 O9 P3 -","- C3 H6 Ga2 O9 P3 -","- C6 H12 Ga4 O18 P6 -","2","1","","Martine Bujoli-Doeuff; Michel Evain; Pascal Janvier; Dominique Massiot; Abraham Clearfield; Zhehong Gan; Bruno Bujoli","New Pillared Layered Gallium Phosphonates in the Gallium/1,2-Ethylenediphosphonic Acid System","Inorganic Chemistry","2001","40","","6694","6698","10.1021/ic010588q","","x-ray","0.71069","MoKα","","0.0352","0.024","","","0.0513","0.053","","","","0.98","0.98","1.06","","","","has coordinates","176467","2020-10-21","18:00:00","" "4320707","15.6315","0.0016","15.6328","0.0016","15.6522","0.0016","90.024","0.002","60.011","0.002","60.039","0.002","2706","0.5","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- Al2 Co3 H54 K12 O108 W22 -","- Al2 Co2.92 K12 O107.96 W22.08 -","- Al2 Co2.92 K12 O107.96 W22.08 -","1","0.5","","Jennifer J. Cowan; Alan J. Bailey; Robert A. Heintz; Bao T. Do; Kenneth I. Hardcastle; Craig L. Hill; Ira A. Weinstock","Formation, Isomerization, and Derivatization of Keggin Tungstoaluminates","Inorganic Chemistry","2001","40","","6666","6675","10.1021/ic0106120","","","0.71073","MoKα","","0.0896","0.0616","","","0.1317","0.1375","","","","","","1.088","","","","has coordinates","176467","2020-10-21","18:00:00","" "4320708","12.5335","0.0004","12.5335","0.0004","17.6353","0.0009","90","","90","","90","","2770.3","0.19","100","2","100","2","","","","","","","","6","P -4 21 c","P -4 2n","114","","","","- Al H34 K6 Mn O56 W11 -","- Al K6 Mn0.96 O56 W11.04 -","- Al2 K12 Mn1.92 O112 W22.08 -","2","0.25","","Jennifer J. Cowan; Alan J. Bailey; Robert A. Heintz; Bao T. Do; Kenneth I. Hardcastle; Craig L. Hill; Ira A. Weinstock","Formation, Isomerization, and Derivatization of Keggin Tungstoaluminates","Inorganic Chemistry","2001","40","","6666","6675","10.1021/ic0106120","","","0.71073","MoKα","","0.0453","0.043","","","0.1163","0.1171","","","","","","1.201","","","","has coordinates","176467","2020-10-21","18:00:00","" "4320709","17.807","0.0014","10.5466","0.0009","13.7297","0.0012","90","","104.489","0.002","90","","2496.5","0.4","193","2","193","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C3 H18 Co2 N6 O9 -","- C3 H18 Co2 N6 O9 -","- C24 H144 Co16 N48 O72 -","8","2","","James H. Espenson; Xiaopeng Shan; David W. Lahti; Timothy M. Rockey; Basudeb Saha; Arkady Ellern","Isomer Formation and Other Issues in the Substitution Reactions of Oxorhenium(V) Complexes of 2,2'-Bipyridine and Related Ligands","Inorganic Chemistry","2001","40","","6717","6724","10.1021/ic010613s","","","0.71073","MoKα","","0.0655","0.0407","","","0.0919","0.0998","","","","","","0.97","","","","has coordinates","179310","2020-10-21","18:00:00","" "4320710","11.956","0.001","12.073","0.001","10.379","0.001","106.494","0.002","106.108","0.005","99.266","0.003","1332.5","0.2","158.1","","","","","","","","","","","6","P 1","P 1","1","","","","- C26 H32 Cl Cu N4 O4 -","- C26 H32 Cl Cu N4 O4 -","- C52 H64 Cl2 Cu2 N8 O8 -","2","2","","Osako, Takao; Tachi, Yoshimitsu; Taki, Masayasu; Fukuzumi, Shunichi; Itoh, Shinobu","Modulation of Coordination Chemistry in Copper(I) Complexes Supported by Bis[2-(2-pyridyl)ethyl]amine-Based Tridentate Ligands","Inorganic Chemistry","2001","40","26","6604","6609","10.1021/ic010625d","","","0.7107","MoKα","","","0.042","","","","0.064","","","","","","0.837","","","","has coordinates","210345","2020-10-21","18:00:00","" "4320711","15.621","0.002","17.202","0.002","8.2593","0.0009","92.232","0.006","90.706","0.004","87.545","0.004","2215.5","0.5","173.1","","","","","","","","","","","6","P -1","-P 1","2","","","","- C23 H27 Cl Cu N3 O4 -","- C23 H27 Cl Cu N3 O4 -","- C92 H108 Cl4 Cu4 N12 O16 -","4","2","","Osako, Takao; Tachi, Yoshimitsu; Taki, Masayasu; Fukuzumi, Shunichi; Itoh, Shinobu","Modulation of Coordination Chemistry in Copper(I) Complexes Supported by Bis[2-(2-pyridyl)ethyl]amine-Based Tridentate Ligands","Inorganic Chemistry","2001","40","26","6604","6609","10.1021/ic010625d","","","0.7107","MoKα","","","0.046","","","","0.072","","","","","","0.889","","","","has coordinates","210345","2020-10-21","18:00:00","" "4320712","13.4002","0.0007","11.4675","0.0006","13.7739","0.0008","90","","97.01","","90","","2100.8","0.2","173","2","173","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C37 H29 N O13 P2 Pt Ru4 -","- C37 H29 N O13 P2 Pt Ru4 -","- C74 H58 N2 O26 P4 Pt2 Ru8 -","2","1","","Ludmila Scoles; John H. Yamamoto; Luc Brissieux; Brian T. Sterenberg; Konstantin A. Udachin; Arthur J. Carty","Synthesis and Characterization of Mixed Ruthenium/Platinum μ4-Phosphinidene, Phosphorus Monoxide, and Related Clusters","Inorganic Chemistry","2001","40","","6731","6736","10.1021/ic0106423","","","0.7093","","","0.0697","0.0392","","","0.0542","0.0589","","","","","","0.802","","","","has coordinates","179310","2020-10-21","18:00:00","" "4320713","38.717","0.003","10.0918","0.0008","20.7789","0.0016","90","","104.69","","90","","7853.4","1.1","173","2","173","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C34 H29 N O10 P2 Pt Ru3 -","- C34 H29 N O10 P2 Pt Ru3 -","- C272 H232 N8 O80 P16 Pt8 Ru24 -","8","1","","Ludmila Scoles; John H. Yamamoto; Luc Brissieux; Brian T. Sterenberg; Konstantin A. Udachin; Arthur J. Carty","Synthesis and Characterization of Mixed Ruthenium/Platinum μ4-Phosphinidene, Phosphorus Monoxide, and Related Clusters","Inorganic Chemistry","2001","40","","6731","6736","10.1021/ic0106423","","","0.7093","","","0.0588","0.0337","","","0.0604","0.067","","","","","","1.018","","","","has coordinates","179310","2020-10-21","18:00:00","" "4320714","10.1654","0.0005","13.1848","0.0006","14.3716","0.0007","72.893","0.001","88.052","0.001","85.139","0.001","1834.28","0.15","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C31 H15 F O13 P2 Pt Ru4 -","- C31 H15 F O13 P2 Pt Ru4 -","- C62 H30 F2 O26 P4 Pt2 Ru8 -","2","1","","Ludmila Scoles; John H. Yamamoto; Luc Brissieux; Brian T. Sterenberg; Konstantin A. Udachin; Arthur J. Carty","Synthesis and Characterization of Mixed Ruthenium/Platinum μ4-Phosphinidene, Phosphorus Monoxide, and Related Clusters","Inorganic Chemistry","2001","40","","6731","6736","10.1021/ic0106423","","","0.7107","MoKα","","0.0329","0.0296","","","0.0766","0.0787","","","","","","1.032","","","","has coordinates","179310","2020-10-21","18:00:00","" "4320715","9.8796","0.0006","21.0626","0.0012","21.34","0.0012","90","","93.29","","90","","4433.3","0.4","173","2","173","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C37 H31 N O14 P2 Pt Ru4 -","- C37 H31 N O14 P2 Pt Ru4 -","- C148 H124 N4 O56 P8 Pt4 Ru16 -","4","1","","Ludmila Scoles; John H. Yamamoto; Luc Brissieux; Brian T. Sterenberg; Konstantin A. Udachin; Arthur J. Carty","Synthesis and Characterization of Mixed Ruthenium/Platinum μ4-Phosphinidene, Phosphorus Monoxide, and Related Clusters","Inorganic Chemistry","2001","40","","6731","6736","10.1021/ic0106423","","","0.7093","","","0.0856","0.0385","","","0.0654","0.0757","","","","","","0.937","","","","has coordinates","179310","2020-10-21","18:00:00","" "4320716","13.046","0.006","13.156","0.004","13.607","0.009","83.95","0.03","86.58","0.04","64.96","0.05","2104","2","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C33.5 H20 Cl1.5 O14 P2 Pt Ru4 -","- C33.7 H20 Cl1.4 O14 P2 Pt Ru4 -","- C67.4 H40 Cl2.8 O28 P4 Pt2 Ru8 -","2","1","","Ludmila Scoles; John H. Yamamoto; Luc Brissieux; Brian T. Sterenberg; Konstantin A. Udachin; Arthur J. Carty","Synthesis and Characterization of Mixed Ruthenium/Platinum μ4-Phosphinidene, Phosphorus Monoxide, and Related Clusters","Inorganic Chemistry","2001","40","","6731","6736","10.1021/ic0106423","","","0.7107","MoKα","","0.1013","0.0535","","","0.1189","0.1316","","","","","","0.919","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00","" "4320717","13.52","0.001","12.6811","0.0008","14.055","0.001","90","","97.567","0.007","90","","2388.7","0.3","213","2","213","2","","","","","","","synthesized","6","P 1 21/c 1","-P 2ybc","14","","Tetrachloro-bis-trimethylphosphine-rhenium(III), cis-isomer, cobaltocenium salt","","- C16 H28 Cl4 Co P2 Re -","- C16 H28 Cl4 Co P2 Re -","- C64 H112 Cl16 Co4 P8 Re4 -","4","1","","F. Albert Cotton; Evgeny V. Dikarev; Marina A. Petrukhina","Mixed Chloride/Phosphine Complexes of the Dirhenium Core. 10. Redox Reactions of an Edge-Sharing Dirhenium(III) Non-metal-Metal-Bonded Complex, Re2(μ-Cl)2Cl4(PMe3)4","Inorganic Chemistry","2001","40","","6825","6831","10.1021/ic010653w","","","0.71073","MoKα","","0.0403","0.0336","","0.0817","0.0767","","","","1.125","1.124","1.124","","","","","has coordinates","179310","2020-10-21","18:00:00","" "4320718","9.377","0.002","13.071","0.002","10.818","0.002","90","","94.65","0.02","90","","1321.6","0.4","213","2","213","2","","","","","","","synthesized","5","P 1 21 1","P 2yb","4","","Tris-(mu-chloro)-bis-chloro-tetrakis-trimethylphosphine- di-rhenium(II,III)","","- C12 H36 Cl5 P4 Re2 -","- C12 H36 Cl5 P4 Re2 -","- C24 H72 Cl10 P8 Re4 -","2","1","","F. Albert Cotton; Evgeny V. Dikarev; Marina A. Petrukhina","Mixed Chloride/Phosphine Complexes of the Dirhenium Core. 10. Redox Reactions of an Edge-Sharing Dirhenium(III) Non-metal-Metal-Bonded Complex, Re2(μ-Cl)2Cl4(PMe3)4","Inorganic Chemistry","2001","40","","6825","6831","10.1021/ic010653w","","","0.71073","MoKα","","0.0637","0.063","","0.1642","0.1625","","","","1.042","1.04","1.04","","","","","has coordinates","179310","2020-10-21","18:00:00","" "4320719","9.561","0.002","21.812","0.003","18.864","0.002","90","","101.15","0.01","90","","3859.7","1.1","213","2","213","2","","","","","","","synthesized","6","P 1 21/c 1","-P 2ybc","14","","Penta-chloro-tris-trimethylphosphine-di-rhenium(II,II), tetrabutyl- ammonium salt","","- C25 H63 Cl5 N P3 Re2 -","- C25 H63 Cl5 N P3 Re2 -","- C100 H252 Cl20 N4 P12 Re8 -","4","1","","F. Albert Cotton; Evgeny V. Dikarev; Marina A. Petrukhina","Mixed Chloride/Phosphine Complexes of the Dirhenium Core. 10. Redox Reactions of an Edge-Sharing Dirhenium(III) Non-metal-Metal-Bonded Complex, Re2(μ-Cl)2Cl4(PMe3)4","Inorganic Chemistry","2001","40","","6825","6831","10.1021/ic010653w","","","0.71073","MoKα","","0.0606","0.0467","","0.1297","0.1215","","","","1.073","1.138","1.138","","","","","has coordinates,has disorder","179310","2020-10-21","18:00:00","" "4320720","6.601","0.0007","8.4258","0.0009","13.432","0.0008","90","","100.71","0.1","90","","734.1","0.3","213","2","213","2","","","","","","","synthesized","5","P 1 21/c 1","-P 2ybc","14","","Tetrachloro-bis-trimethylphosphine-rhenium(IV), trans-isomer","","- C6 H18 Cl4 P2 Re -","- C6 H18 Cl4 P2 Re -","- C12 H36 Cl8 P4 Re2 -","2","0.5","","F. Albert Cotton; Evgeny V. Dikarev; Marina A. Petrukhina","Mixed Chloride/Phosphine Complexes of the Dirhenium Core. 10. Redox Reactions of an Edge-Sharing Dirhenium(III) Non-metal-Metal-Bonded Complex, Re2(μ-Cl)2Cl4(PMe3)4","Inorganic Chemistry","2001","40","","6825","6831","10.1021/ic010653w","","","0.71073","MoKα","","0.0486","0.0427","","0.1288","0.116","","","","1.078","1.082","1.082","","","","","has coordinates","179310","2020-10-21","18:00:00","" "4320721","11.4415","0.0009","12.9675","0.0005","21.9528","0.0005","90","","91.402","0.004","90","","3256.1","0.3","192","2","192","2","","","","","","","synthesized","6","P 1 21/c 1","-P 2ybc","14","","Tetrachloro-bis-trimethylphosphine-rhenium(IV), trans-isomer, tetrabutylammonium salt","","- C22 H54 Cl4 N P2 Re -","- C22 H54 Cl4 N P2 Re -","- C88 H216 Cl16 N4 P8 Re4 -","4","1","","F. Albert Cotton; Evgeny V. Dikarev; Marina A. Petrukhina","Mixed Chloride/Phosphine Complexes of the Dirhenium Core. 10. Redox Reactions of an Edge-Sharing Dirhenium(III) Non-metal-Metal-Bonded Complex, Re2(μ-Cl)2Cl4(PMe3)4","Inorganic Chemistry","2001","40","","6825","6831","10.1021/ic010653w","","","0.71073","MoKα","","0.0524","0.0448","","0.1188","0.1108","","","","1.055","1.056","1.056","","","","","has coordinates,has disorder","179310","2020-10-21","18:00:00","" "4320722","7.947","0.001","12.327","0.004","13.15","0.003","113.91","0.02","99.85","0.02","90.02","0.02","1156.8","0.5","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H23 Cu N8 O8 -","- C20 H23 Cu N8 O8 -","- C40 H46 Cu2 N16 O16 -","2","1","","Youness Akhriff; Juan Server-Carrió; Amparo Sancho; Julia García-Lozano; Emilio Escrivá; Lucía Soto","Two Polymeric Compounds Built from Mononuclear and Tetrameric Squarate-Copper(II) Complexes by Deprotonation of 3,3-Bis(2-imidazolyl)propionic Acid (HBIP). Synthesis, Crystal Structure, and Magnetic Characterization of [Cu(HBIP)(BIP)](C4O4)1/2.2H2O and [{Cu(BIP)(OH2)}4(μ-C4O4)](ClO4)2.4H2O","Inorganic Chemistry","2001","40","","6832","6840","10.1021/ic0106571","","","0.7107","MoKα","","0.1132","0.0602","","","0.1261","0.1594","","","","","","0.971","","","","has coordinates","179310","2020-10-21","18:00:00","" "4320723","8.01","0.001","13.073","0.001","14.561","0.001","72.13","0.01","80.14","0.01","84.02","0.01","1427.6","0.2","295","2","295","2","","","","","","","","6","P -1","-P 1","2","","","","- C40 H52 Cl2 Cu4 N16 O28 -","- C40 H52 Cl2 Cu4 N16 O28 -","- C40 H52 Cl2 Cu4 N16 O28 -","1","0.5","","Youness Akhriff; Juan Server-Carrió; Amparo Sancho; Julia García-Lozano; Emilio Escrivá; Lucía Soto","Two Polymeric Compounds Built from Mononuclear and Tetrameric Squarate-Copper(II) Complexes by Deprotonation of 3,3-Bis(2-imidazolyl)propionic Acid (HBIP). Synthesis, Crystal Structure, and Magnetic Characterization of [Cu(HBIP)(BIP)](C4O4)1/2.2H2O and [{Cu(BIP)(OH2)}4(μ-C4O4)](ClO4)2.4H2O","Inorganic Chemistry","2001","40","","6832","6840","10.1021/ic0106571","","","0.7107","MoKα","","0.0549","0.0456","","","0.1214","0.1331","","","","","","1.067","","","","has coordinates","179310","2020-10-21","18:00:00","" "4320724","11.646","0.006","12.026","0.004","10.736","0.002","94.88","0.02","95.72","0.03","101.47","0.01","1457.8","0.9","193","2","193","2","","","","","","","Prof. P. Kaszynski - Vanderbilt University","3","P -1","-P 1","2","poitr","","","- C18 H46 B16 -","- C18 H46 B16 -","- C36 H92 B32 -","2","1","","Piotr Kaszynski; Serhii Pakhomov; Kris F. Tesh; Victor G. Young","Carborane-Containing Liquid Crystals: Synthesis and Structural, Conformational, Thermal, and Spectroscopic Characterization of Diheptyl and Diheptynyl Derivatives of p-Carboranes","Inorganic Chemistry","2001","40","","6622","6631","10.1021/ic010663x","","","1.54178","CuKα","","0.2546","0.1423","","0.5643","0.387","","","","1.035","1.096","1.096","","","","","has coordinates,has disorder","179310","2020-10-21","18:00:00","" "4320725","9.4761","0.0002","10.4243","0.0001","16.1992","0.0004","78.516","0.001","88.105","0.002","65.263","0.001","1421.98","0.05","173","2","173","2","","","","","","","Prof. P. Kaszynski - Vanderbilt University","3","P -1","-P 1","2","97304","","","- C18 H38 B16 -","- C18 H38 B16 -","- C36 H76 B32 -","2","1","","Piotr Kaszynski; Serhii Pakhomov; Kris F. Tesh; Victor G. Young","Carborane-Containing Liquid Crystals: Synthesis and Structural, Conformational, Thermal, and Spectroscopic Characterization of Diheptyl and Diheptynyl Derivatives of p-Carboranes","Inorganic Chemistry","2001","40","","6622","6631","10.1021/ic010663x","","","0.71073","MoKα","","0.1324","0.0706","","0.208","0.1773","","","","0.931","1.123","1.123","","","","","has coordinates,has disorder","179310","2020-10-21","18:00:00","" "4320726","7.2206","0.0002","10.2466","0.0002","10.9447","0.0004","82.532","0.002","72.305","0.002","79.744","0.002","756.63","0.04","173","2","173","2","","","","","","","Prof. P. Kaszynski - Vanderbilt University","3","P -1","-P 1","2","97297","","","- C18 H50 B20 -","- C18 H50 B20 -","- C18 H50 B20 -","1","0.5","","Piotr Kaszynski; Serhii Pakhomov; Kris F. Tesh; Victor G. Young","Carborane-Containing Liquid Crystals: Synthesis and Structural, Conformational, Thermal, and Spectroscopic Characterization of Diheptyl and Diheptynyl Derivatives of p-Carboranes","Inorganic Chemistry","2001","40","","6622","6631","10.1021/ic010663x","","","0.71073","MoKα","","0.1138","0.062","","0.1637","0.1432","","","","1.001","1.18","1.18","","","","","has coordinates","179310","2020-10-21","18:00:00","" "4320727","7.2459","0.0005","10.1073","0.0007","10.7941","0.0008","82.853","0.002","73.175","0.002","81.912","0.001","746.23","0.09","173","2","173","2","","","","","","","Prof. P. Kaszynski - Vanderbilt University","3","P -1","-P 1","2","97332","","","- C18 H42 B20 -","- C18 H42 B20 -","- C18 H42 B20 -","1","0.5","","Piotr Kaszynski; Serhii Pakhomov; Kris F. Tesh; Victor G. Young","Carborane-Containing Liquid Crystals: Synthesis and Structural, Conformational, Thermal, and Spectroscopic Characterization of Diheptyl and Diheptynyl Derivatives of p-Carboranes","Inorganic Chemistry","2001","40","","6622","6631","10.1021/ic010663x","","","0.71073","MoKα","","0.058","0.0476","","0.1392","0.132","","","","1.076","1.14","1.14","","","","","has coordinates","179310","2020-10-21","18:00:00","" "4320728","8.3436","0.0008","9.4433","0.001","22.347","0.002","90","","90","","90","","1760.7","0.3","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C14 H16 Cu N5 O S2 -","- C14 H16 Cu N5 O S2 -","- C56 H64 Cu4 N20 O4 S8 -","4","1","","Sean B. Seymore; Seth N. Brown","Synthesis and Cleavage Reactions of Metal-Metal-Bonded [Mo2(S2CNR2)6](OTf)2, a Source of the Tris(dithiocarbamato)molybdenum(IV) Fragment","Inorganic Chemistry","2001","40","","6676","6683","10.1021/ic010673y","","","0.71073","MoKα","","0.0364","0.0293","","","0.0674","0.0704","","","","","","1.022","","","","has coordinates","179310","2020-10-21","18:00:00","" "4320729","7.1121","0.0007","20.541","0.002","20.923","0.002","90","","99.785","0.001","90","","3012.2","0.5","298","2","298","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C6 H2 N3 O Se2 -","- C6 H2 N3 O Se2 -","- C96 H32 N48 O16 Se32 -","16","8","","J. F. Britten; O. P. Clements; A. W. Cordes; R. C. Haddon; R. T. Oakley; J. F. Richardson","Stacking Efficiency of Diselenadiazolyl π-Dimers. Consequences for Electronic Structure and Transport Properties","Inorganic Chemistry","2001","40","","6820","6824","10.1021/ic010678v","","","0.71073","MoKα","","0.0443","0.0315","","","0.0764","0.0825","","","","","","1.036","","","","has coordinates","179310","2020-10-21","18:00:00","" "4320730","12.5451","0.0011","21.4149","0.0019","18.2977","0.0016","90","","104.252","0.002","90","","4764.4","0.7","158","2","158","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C33 H75 I2 O10.5 U Zr2 -","- C33 H71 I2 O10.5 U Zr2 -","- C132 H284 I8 O42 U4 Zr8 -","4","1","","William J. Evans; Gregory W. Nyce; Michael A. Greci; Joseph W. Ziller","Synthesis of Arene-Soluble Mixed-Metal Uranium/Zirconium Complexes Using the Dizirconium Nonaisopropoxide Ligand","Inorganic Chemistry","2001","40","","6725","6730","10.1021/ic010703x","","","0.71073","MoKα","","0.0456","0.0314","","","0.0584","0.0623","","","","","","1.007","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00","" "4320731","12.6047","0.0007","20.2204","0.0012","20.3064","0.0012","117.035","0.001","95.33","0.001","105.084","0.001","4314.9","0.4","158","2","158","2","","","","","","","","5","P -1","-P 1","2","","","","- C35 H71 O9 U Zr2 -","- C70 H142 O18 U2 Zr4 -","- C140 H284 O36 U4 Zr8 -","2","1","","William J. Evans; Gregory W. Nyce; Michael A. Greci; Joseph W. Ziller","Synthesis of Arene-Soluble Mixed-Metal Uranium/Zirconium Complexes Using the Dizirconium Nonaisopropoxide Ligand","Inorganic Chemistry","2001","40","","6725","6730","10.1021/ic010703x","","","0.71073","MoKα","","0.0647","0.0481","","","0.1146","0.1237","","","","","","1.028","","","","has coordinates,has disorder","179310","2020-10-21","18:00:00","" "4320732","19.041","0.004","11.9606","0.0012","15.4779","0.0014","90","","108.99","0.009","90","","3333.1","0.9","163","","163","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C20 H48 Cl4 O8 U2 -","- C20 H48 Cl4 O8 U2 -","- C80 H192 Cl16 O32 U8 -","4","0.5","","William J. Evans; Gregory W. Nyce; Michael A. Greci; Joseph W. Ziller","Synthesis of Arene-Soluble Mixed-Metal Uranium/Zirconium Complexes Using the Dizirconium Nonaisopropoxide Ligand","Inorganic Chemistry","2001","40","","6725","6730","10.1021/ic010703x","","","0.71073","MoKα","","0.0463","0.0333","","","0.0823","0.0879","","","","","","1.042","","","","has coordinates,has disorder","179310","2020-10-21","18:00:00","" "4320733","11.1025","0.0009","15.1884","0.0012","15.3086","0.0013","86.326","0.002","71.225","0.002","73.912","0.002","2347.5","0.3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C50 H40 Cl6 N2 Ru S2 -","- C50 H40 Cl6 N2 Ru S2 -","- C100 H80 Cl12 N4 Ru2 S4 -","2","1","","Chen-Hsiung Hung; Chen-Kuo Ou; Gene-Hsiang Lee; Shie-Ming Peng","Structure and Characterization of the First Metal Complex of Dithiaporphyrin: Ru(S2TTP)Cl2","Inorganic Chemistry","2001","40","","6845","6847","10.1021/ic010705h","","","0.71073","MoKα","","0.0907","0.0502","","","0.1253","0.1371","","","","","","0.893","","","","has coordinates","179310","2020-10-21","18:00:00","" "4320734","40.705","0.0005","8.74","0.0009","26.999","0.0017","90","0.0018","98.191","0.002","90","0.006","9507.2","1.2","110","2","110","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C56 H27 Cr F15 N6 -","- C56 H27 Cr F15 N6 -","- C448 H216 Cr8 F120 N48 -","8","1","","Alexandre E. Meier-Callahan; Angel J. Di Bilio; Liliya Simkhovich; Atif Mahammed; Israel Goldberg; Harry B. Gray; Zeev Gross","Chromium Corroles in Four Oxidation States","Inorganic Chemistry","2001","40","","6788","6793","10.1021/ic010723z","","","0.7107","MoKα","","0.2273","0.0935","","","0.1564","0.2162","","","","","","1.025","","","","has coordinates","179310","2020-10-21","18:00:00","" "4320735","20.9476","0.0003","23.6601","0.0004","20.9286","0.0003","90","","91.711","0.001","90","","10368.1","0.3","293","2","293","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","[Fe4(m-OH)4(m-O2CAr4-tBuPh)2(m-OTf)2(4-tBuPy)4]","","","- C97.25 H114 Cl0.5 F6 Fe4 N4 O15.25 S2 -","- C97.25 H114 Cl0.5 F6 Fe4 N4 O15.25 S2 -","- C389 H456 Cl2 F24 Fe16 N16 O61 S8 -","4","1","","Dongwhan Lee; Lorenzo Sorace; Andrea Caneschi; Stephen J. Lippard","Hydroxo-Bridged Cubane-Type Tetrairon(II) Clusters Supported by Sterically-Hindered Carboxylate Ligands","Inorganic Chemistry","2001","40","","6774","6781","10.1021/ic010726b","","","0.71073","MoKα","","0.098","0.0598","","","0.1434","0.1567","","","","","","1.03","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00","" "4320736","11.506","0.0003","15.6613","0.0004","14.8756","0.0003","90","","106.98","","90","","2563.71","0.11","116","2","116","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H46 Cl2 Os P2 -","- C20 H46 Cl2 Os P2 -","- C80 H184 Cl8 Os4 P8 -","4","1","","German Ferrando; Hélène Gérard; Gregory J. Spivak; Joseph N. Coalter; John C. Huffman; Odile Eisenstein; Kenneth G. Caulton","Facile C(sp2)/OR Bond Cleavage by Ru or Os","Inorganic Chemistry","2001","40","","6610","6621","10.1021/ic010729o","","","0.71073","MoKα","","","0.0174","","","","0.0161","","","","","","0.3683","","","","has coordinates,has disorder","256620","2020-10-21","18:00:00","" "4320737","19.2325","0.0011","14.2271","0.0008","19.3777","0.0011","90","","109.529","0.001","90","","4997.2","0.5","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C56 H65 Al N2 O3 Si -","- C56 H65 Al N2 O3 Si -","- C224 H260 Al4 N8 O12 Si4 -","4","1","","Miguel-Angel Munoz-Hernandez; Timothy S. Keizer; Pingrong Wei; Sean Parkin; David A. Atwood","Reactivity and Derivatization of Five-Coordinate, Chelated Aluminum","Inorganic Chemistry","2001","40","","6782","6787","10.1021/ic010759r","","","0.71073","MoKα","","0.0488","0.0431","","0.1472","0.141","","","","1.283","1.305","1.305","","","","","has coordinates","179310","2020-10-21","18:00:00","" "4320738","10.9002","0.0005","15.1173","0.0008","31.5919","0.0015","90","","90","","90","","5205.8","0.4","298","2","298","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C49 H78 Al N3 O2 Si2 -","- C49 H76 Al N3 O2 Si2 -","- C196 H304 Al4 N12 O8 Si8 -","4","1","","Miguel-Angel Munoz-Hernandez; Timothy S. Keizer; Pingrong Wei; Sean Parkin; David A. Atwood","Reactivity and Derivatization of Five-Coordinate, Chelated Aluminum","Inorganic Chemistry","2001","40","","6782","6787","10.1021/ic010759r","","","0.71073","MoKα","","0.1295","0.0737","","0.1807","0.136","","","","1.071","1.077","1.077","","","","","has coordinates","255805","2020-10-21","18:00:00","" "4320739","9.5599","0.0016","9.9579","0.0016","31.712","0.005","90","","90","","90","","3018.9","0.8","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C33 H29 Cl2 N2 O5 Re -","- C33 H29 Cl2 N2 O5 Re -","- C132 H116 Cl8 N8 O20 Re4 -","4","1","","Virginie M. Béreau; Saeed I. Khan; Mahdi M. Abu-Omar","Synthesis of Enantiopure Oxorhenium(V) and Arylimidorhenium(V) ""3 + 2"" Schiff Base Complexes. X-ray Diffraction, Cyclic Voltammetry, UV-Vis, and Circular Dichroism Characterizations","Inorganic Chemistry","2001","40","","6767","6773","10.1021/ic0108033","","","0.71073","MoKα","","0.0292","0.0277","","","0.0618","0.0623","","","","","","1.081","","","","has coordinates","179310","2020-10-21","18:00:00","" "4320740","9.286","0.003","18.759","0.006","9.957","0.003","90","","102.817","0.006","90","","1691.3","0.9","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C40 H38 N3 O5 Re -","- C40 H38 N3 O5 Re -","- C80 H76 N6 O10 Re2 -","2","1","","Virginie M. Béreau; Saeed I. Khan; Mahdi M. Abu-Omar","Synthesis of Enantiopure Oxorhenium(V) and Arylimidorhenium(V) ""3 + 2"" Schiff Base Complexes. X-ray Diffraction, Cyclic Voltammetry, UV-Vis, and Circular Dichroism Characterizations","Inorganic Chemistry","2001","40","","6767","6773","10.1021/ic0108033","","","0.71073","MoKα","","0.0322","0.023","","","0.0362","0.0381","","","","","","0.802","","","","has coordinates","179310","2020-10-21","18:00:00","" "4320741","9.3251","0.0003","13.5243","0.0004","28.3923","0.0009","90","","96.556","0.002","90","","3557.29","0.19","223","2","223","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C36 H41 B9 P2 -","- C36 H41 B9 P2 -","- C144 H164 B36 P8 -","4","1","","Mitsuhiro Hata; Nigam P. Rath; Lawrence Barton","Isolation of a New Nonaborane Cluster Form: arachno-B9H11.(PPh3)2","Inorganic Chemistry","2001","40","","6852","6854","10.1021/ic010810r","","","0.71073","MoKα","","0.0702","0.0464","","","0.1135","0.1265","","","","","","1.003","","","","has coordinates","179310","2020-10-21","18:00:00","" "4320742","15.9265","0.0006","15.9265","0.0006","22.8689","0.0012","90","","90","","90","","5800.8","0.4","223","2","223","2","","","","","","","","6","P 4/n c c :2","-P 4a 2ac","130","","","","- C57 H52 Cl8 N8 O Ru2 -","- C57.04 H52.08 Cl8.08 N8 O Ru2 -","- C228.16 H208.32 Cl32.32 N32 O4 Ru8 -","4","0.25","","Karl M. Kadish; Baocheng Han; Jianguo Shao; Zhongping Ou; John L. Bear","Synthesis and Characterization of Diruthenium Complexes in Low Oxidation States. Formation of Mono- and Bis-CO Adducts","Inorganic Chemistry","2001","40","","6848","6851","10.1021/ic010907d","","","0.71073","MoKα","","0.0562","0.0296","","","0.0791","0.1081","","","","","","1.205","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00","" "4320743","26.7213","0.0012","11.1561","0.0007","15.5802","0.0008","90","","107.926","0.004","90","","4419.1","0.4","293","2","293","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C36 H20 Cu F12 N2 O4 S8 -","- C36 H20 Cu F12 N2 O4 S8 -","- C144 H80 Cu4 F48 N8 O16 S32 -","4","0.5","","Fumiyasu Iwahori; Stéphane Golhen; Lahcène Ouahab; Roger Carlier; Jean-Pascal Sutter","CuII Coordination Complex Involving TTF-py as Ligand","Inorganic Chemistry","2001","40","","6541","6542","10.1021/ic015550s","","","0.71073","MoKα","","0.1689","0.0813","","","0.2226","0.2807","","","","","","1.032","","","","has coordinates","179310","2020-10-21","18:00:00","" "4320744","31.474","0.0017","6.7399","0.0004","25.7722","0.0014","90","","100.334","0.001","90","","5378.4","0.5","173","2","173","2","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","","","- C54 H54 N24 O4 -","- C54 H54 N24 O4 -","- C216 H216 N96 O16 -","4","0.5","","Daniel L. Reger; Radu F. Semeniuc; Mark D. Smith","Supramolecular Architecture of a Silver(I) Coordination Polymer Supported by a New Ligand Containing Four Tris(pyrazolyl)methane Units","Inorganic Chemistry","2001","40","","6545","6546","10.1021/ic015567a","","","0.71073","MoKα","","0.0647","0.0546","","","0.1235","0.1281","","","","","","1.128","","","","has coordinates","179310","2020-10-21","18:00:00","" "4320745","11.4424","0.0019","11.972","0.002","13.962","0.002","106.838","0.003","92.871","0.003","100.803","0.003","1787.1","0.5","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C62 H66 Ag2 B2 F8 N28 O4 -","- C62 H66 Ag2 B2 F8 N28 O4 -","- C62 H66 Ag2 B2 F8 N28 O4 -","1","0.5","","Daniel L. Reger; Radu F. Semeniuc; Mark D. Smith","Supramolecular Architecture of a Silver(I) Coordination Polymer Supported by a New Ligand Containing Four Tris(pyrazolyl)methane Units","Inorganic Chemistry","2001","40","","6545","6546","10.1021/ic015567a","","","0.71073","MoKα","","0.0455","0.0374","","","0.0977","0.1005","","","","","","1.008","","","","has coordinates","179310","2020-10-21","18:00:00","" "4320746","29.029","0.011","18.924","0.007","9.052","0.004","90","","90","","90","","4973","3","110","2","110","2","","","","","","","","8","P n m a","-P 2ac 2n","62","","","","- C24.5 H25 Fe I N2 O P Zn -","- C24.5 H25 Fe I N2 O P Zn -","- C196 H200 Fe8 I8 N16 O8 P8 Zn8 -","8","1","","Donald J. Darensbourg; M. Jason Adams; Jason C. Yarbrough","Toward the Design of Double Metal Cyanides for the Copolymerization of CO2and Epoxides","Inorganic Chemistry","2001","40","","6543","6544","10.1021/ic0155941","","","0.71073","MoKα","","0.1555","0.0485","","","0.1018","0.1291","","","","","","0.869","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00","" "4320747","8.428","0.002","9.605","0.002","15.096","0.003","90","","104.35","0.02","90","","1183.9","0.5","298","","298","","","","","","","","","7","P 1 2/n 1","-P 2yac","13","","","","- C12 H28 Cl Cu N4 O8 S4 -","- C12 H28 Cl Cu N4 O8 S4 -","- C24 H56 Cl2 Cu2 N8 O16 S8 -","2","0.5","","Christina M. V. Stålhandske; Claes I. Stålhandske; Ingmar Persson; Magnus Sandström; Farideh Jalilehvand","Crystal and Solution Structures of N,N-Dimethylthioformamide-Solvated Copper(I), Silver(I), and Gold(I) Ions Studied by X-ray Diffraction, X-ray Absorption, and Vibrational Spectroscopy","Inorganic Chemistry","2001","40","","6684","6693","10.1021/ic010226i","","","0.7107","MoKalpha","","","0.035","","","0.045","","","","","1.746","1.746","","","","","has coordinates","176467","2020-10-21","18:00:00","" "4320748","16.62","0.002","16.62","0.002","13.02","0.003","90","","90","","90","","3596.4","1","293","2","293","2","","","","","","","","6","P 43","P 4cw","78","[Ru~(ptzo)~(bpy)~2](ClO~4~)~2~H~2~O","pzto-bis-2,2'-bipyridine-ruthenium(II) perchlorate hydrate","","- C33 H25 Cl2 N9 O10 Ru -","- C33 H26 Cl2 N9 O11 Ru -","- C132 H104 Cl8 N36 O44 Ru4 -","4","1","","Xiao-Hua Zou; Hong Li; Guang Yang; Hong Deng; Jie Liu; Run-Hua Li; Qian-Ling Zhang; Ya Xiong; Liang-Nian Ji","Synthesis, Characterization, and Crystal Structure of a Functionalized Ruthenium(II) Polypyridyl Complex with Fused Triazinone as Ligand","Inorganic Chemistry","2001","40","","7091","7095","10.1021/ic001429u","","","0.71073","MoKα","","0.1282","0.0756","","","0.1983","0.2324","","","","","","0.953","","","","has coordinates","179310","2020-10-21","18:00:00","" "4320749","21.744","0.003","9.2435","0.0015","16.259","0.002","90","","93.58","0.009","90","","3261.5","0.8","293","2","293","2","","","","","","","","6","P 1 2/c 1","-P 2yc","13","","","","- C24 H40 Cl2 N8 O7 Pd2 -","- C24 H40 Cl2 N8 O7 Pd2 -","- C96 H160 Cl8 N32 O28 Pd8 -","4","1","","Weijiang He; Fang Liu; Chunying Duan; Zijian Guo; Shaozhen Zhou; Yongjiang Liu; Longgen Zhu","Construction of a Square-Planar Molecular Box: Self-Assembly of Palladium(II) Complexes of 3,6,9,16,19,22-Hexaazatricyclo[22.2.2.211,14]triacon -11,13,24,26(1),27,29-hexaene through Hydrogen-Bonding Interactions","Inorganic Chemistry","2001","40","","7065","7071","10.1021/ic010101d","","","0.71073","MoKα","","0.1268","0.0722","","","0.1679","0.2042","","","","","","1.014","","","","has coordinates","179310","2020-10-21","18:00:00","" "4320750","16.881","0.003","8.9716","0.0012","23.055","0.005","90","","94.629","0.011","90","","3480.3","1.1","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C24 H38 I4 N6 Pd2 -","- C24 H38 I4 N6 Pd2 -","- C96 H152 I16 N24 Pd8 -","4","0.5","","Weijiang He; Fang Liu; Chunying Duan; Zijian Guo; Shaozhen Zhou; Yongjiang Liu; Longgen Zhu","Construction of a Square-Planar Molecular Box: Self-Assembly of Palladium(II) Complexes of 3,6,9,16,19,22-Hexaazatricyclo[22.2.2.211,14]triacon -11,13,24,26(1),27,29-hexaene through Hydrogen-Bonding Interactions","Inorganic Chemistry","2001","40","","7065","7071","10.1021/ic010101d","","","0.71073","MoKα","","0.0783","0.0543","","0.1481","0.1159","","","","1.067","1.082","1.082","","","","","has coordinates","179310","2020-10-21","18:00:00","" "4320751","9.696","0.0019","13.32","0.003","14.605","0.003","93.3","0.03","90.63","0.03","104.05","0.03","1826.2","0.7","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C52 H88 N16 O26 Pd4 -","- C52 H84 N16 O26 Pd4 -","- C52 H84 N16 O26 Pd4 -","1","0.5","","Weijiang He; Fang Liu; Chunying Duan; Zijian Guo; Shaozhen Zhou; Yongjiang Liu; Longgen Zhu","Construction of a Square-Planar Molecular Box: Self-Assembly of Palladium(II) Complexes of 3,6,9,16,19,22-Hexaazatricyclo[22.2.2.211,14]triacon -11,13,24,26(1),27,29-hexaene through Hydrogen-Bonding Interactions","Inorganic Chemistry","2001","40","","7065","7071","10.1021/ic010101d","","","0.71073","MoKα","","0.0847","0.0496","","","0.1304","0.1473","","","","","","1.03","","","","has coordinates,has disorder","179310","2020-10-21","18:00:00","" "4320752","12.773","0.002","15.326","0.004","11.641","0.002","110.43","0.02","100.67","0.015","66.623","0.015","1957.3","0.8","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C88.66 H69.32 Cl7.32 Cu N8 O -","- C88.66 H68 Cl7.32 Cu N8 -","- C88.66 H68 Cl7.32 Cu N8 -","1","0.5","","Maribel Navarro; Efren J. Cisneros-Fajardo; Teresa Lehmann; Roberto A. Sánchez-Delgado; Reinaldo Atencio; Pedro Silva; Renee Lira; Julio A. Urbina","Toward a Novel Metal-Based Chemotherapy against Tropical Diseases. 6. Synthesis and Characterization of New Copper(II) and Gold(I) Clotrimazole and Ketoconazole Complexes and Evaluation of Their Activity against Trypanosoma cruzi","Inorganic Chemistry","2001","40","","6879","6884","10.1021/ic0103087","","","0.71069","MoKα","","0.1387","0.0706","","0.2373","0.1783","","","","1.057","1.173","1.173","","","","","has coordinates,has Fobs","179310","2020-10-21","18:00:00","" "4320753","22.549","0.011","7.538","0.002","21.597","0.005","90","","114.34","0.03","90","","3345","2","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C15.5 H12 Ca N0 O6 S2 -","- C15.5 H12 Ca O6 S2 -","- C124 H96 Ca8 O48 S16 -","8","1","","Ramaswamy Murugavel; Kanhayalal Baheti; Ganapathi Anantharaman","Reactions of 2-Mercaptobenzoic Acid with Divalent Alkaline Earth Metal Ions: Synthesis, Spectral Studies, and Single-Crystal X-ray Structures of Calcium, Strontium, and Barium Complexes of 2,2'-Dithiobis(benzoic acid),","Inorganic Chemistry","2001","40","","6870","6878","10.1021/ic010519b","","","0.71073","","","0.043","0.0341","","","0.0949","0.0987","","","","","","1.079","","","","has coordinates","176467","2020-10-21","18:00:00","" "4320754","22.396","","7.765","","21.767","","90","","114.25","","90","","3451.37","","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C15.5 H12 N0 O6 S2 Sr -","- C15.5 H12 O6 S2 Sr -","- C124 H96 O48 S16 Sr8 -","8","1","","Ramaswamy Murugavel; Kanhayalal Baheti; Ganapathi Anantharaman","Reactions of 2-Mercaptobenzoic Acid with Divalent Alkaline Earth Metal Ions: Synthesis, Spectral Studies, and Single-Crystal X-ray Structures of Calcium, Strontium, and Barium Complexes of 2,2'-Dithiobis(benzoic acid),","Inorganic Chemistry","2001","40","","6870","6878","10.1021/ic010519b","","","0.71073","MoKα","","0.0549","0.0342","","","0.0859","0.0899","","","","","","1.025","","","","has coordinates","176467","2020-10-21","18:00:00","" "4320755","13.107","0.003","19.339","0.004","24.883","0.008","90","","90","","90","","6307","3","293","2","293","2","","","","","","","","5","P c n n","-P 2ab 2c","52","","","","- C28 H21 Ba2 O10.5 S4 -","- C28 H20 Ba2 O10.5 S4 -","- C224 H160 Ba16 O84 S32 -","8","1","","Ramaswamy Murugavel; Kanhayalal Baheti; Ganapathi Anantharaman","Reactions of 2-Mercaptobenzoic Acid with Divalent Alkaline Earth Metal Ions: Synthesis, Spectral Studies, and Single-Crystal X-ray Structures of Calcium, Strontium, and Barium Complexes of 2,2'-Dithiobis(benzoic acid),","Inorganic Chemistry","2001","40","","6870","6878","10.1021/ic010519b","","","0.71073","MoKα","","0.1943","0.0794","","","0.1287","0.1568","","","","","","0.873","","","","has coordinates","176467","2020-10-21","18:00:00","" "4320756","11.3619","0.0009","12.0443","0.001","21.126","0.003","90","","94.006","0.011","90","","2883.9","0.5","203","2","203","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C28 H23 N O8 S4 -","- C28 H23 N O8 S4 -","- C112 H92 N4 O32 S16 -","4","1","","Ramaswamy Murugavel; Kanhayalal Baheti; Ganapathi Anantharaman","Reactions of 2-Mercaptobenzoic Acid with Divalent Alkaline Earth Metal Ions: Synthesis, Spectral Studies, and Single-Crystal X-ray Structures of Calcium, Strontium, and Barium Complexes of 2,2'-Dithiobis(benzoic acid),","Inorganic Chemistry","2001","40","","6870","6878","10.1021/ic010519b","","","0.71073","MoKα","","0.0612","0.0421","","","0.0859","0.0969","","","","","","1.061","","","","has coordinates","201982","2020-10-21","18:00:00","" "4320757","9.1734","0.001","12.4461","0.0019","12.2131","0.0014","90","","96.866","0.009","90","","1384.4","0.3","138","2","138","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","[Cu(dmppy)(py)]2","","","- C14 H14 Cu N4 O2 -","- C14 H14 Cu N4 O2 -","- C56 H56 Cu4 N16 O8 -","4","1","","Dana S. Marlin; Marilyn M. Olmstead; Pradip K. Mascharak","Structure-Spectroscopy Correlation in Distorted Five-Coordinate Cu(II) Complexes: A Case Study with a Set of Closely Related Copper Complexes of Pyridine-2,6-dicarboxamide Ligands","Inorganic Chemistry","2001","40","","7003","7008","10.1021/ic010523n","","","1.54178","CuKα","","0.0362","0.0339","","","0.0926","0.0945","","","","","","1.079","","","","has coordinates","258736","2020-11-05","08:57:04","" "4320758","9.3427","0.0005","11.6307","0.0006","12.9177","0.0007","90","","97.748","0.001","90","","1390.85","0.13","90","2","90","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","[Cu(dmppy)(N-MeIm)]2","","","- C13 H15 Cu N5 O2 -","- C13 H15 Cu N5 O2 -","- C52 H60 Cu4 N20 O8 -","4","1","","Dana S. Marlin; Marilyn M. Olmstead; Pradip K. Mascharak","Structure-Spectroscopy Correlation in Distorted Five-Coordinate Cu(II) Complexes: A Case Study with a Set of Closely Related Copper Complexes of Pyridine-2,6-dicarboxamide Ligands","Inorganic Chemistry","2001","40","","7003","7008","10.1021/ic010523n","","","0.71073","MoKα","","0.0304","0.026","","","0.0706","0.0731","","","","","","1.061","","","","has coordinates","271475","2021-12-16","11:44:44","" "4320759","8.6463","0.0006","10.5912","0.0008","16.5888","0.0012","90","","95.509","0.001","90","","1512.1","0.19","90","2","90","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","[Cu(dmppy)(H2O)(py)]","","","- C14 H16 Cu N4 O3 -","- C14 H16 Cu N4 O3 -","- C56 H64 Cu4 N16 O12 -","4","1","","Dana S. Marlin; Marilyn M. Olmstead; Pradip K. Mascharak","Structure-Spectroscopy Correlation in Distorted Five-Coordinate Cu(II) Complexes: A Case Study with a Set of Closely Related Copper Complexes of Pyridine-2,6-dicarboxamide Ligands","Inorganic Chemistry","2001","40","","7003","7008","10.1021/ic010523n","","","0.71073","MoKα","","0.0278","0.0244","","","0.0699","0.0715","","","","","","1.046","","","","has coordinates","179310","2020-10-21","18:00:00","" "4320760","8.9912","0.0003","15.3143","0.0005","25.3592","0.0009","90","","90","","90","","3491.8","0.2","90","2","90","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","[Cu(dmppy)(bpy)]","","","- C19 H17 Cu N5 O2 -","- C19 H17 Cu N5 O2 -","- C152 H136 Cu8 N40 O16 -","8","1","","Dana S. Marlin; Marilyn M. Olmstead; Pradip K. Mascharak","Structure-Spectroscopy Correlation in Distorted Five-Coordinate Cu(II) Complexes: A Case Study with a Set of Closely Related Copper Complexes of Pyridine-2,6-dicarboxamide Ligands","Inorganic Chemistry","2001","40","","7003","7008","10.1021/ic010523n","","","0.71073","MoKα","","0.0439","0.0334","","","0.0772","0.0814","","","","","","1.078","","","","has coordinates","179310","2020-10-21","18:00:00","" "4320761","12.925","0.004","15.762","0.005","14.171","0.005","90","","107.21","0.03","90","","2757.7","1.6","130","2","130","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","[Cu(dmppy)(Me2-bpy)][NaClO4].CH3CN","","","- C46 H48 Cl2 Cu2 N12 Na2 O12 -","- C46 H42 Cl2 Cu2 N12 Na2 O12 -","- C92 H84 Cl4 Cu4 N24 Na4 O24 -","2","0.5","","Dana S. Marlin; Marilyn M. Olmstead; Pradip K. Mascharak","Structure-Spectroscopy Correlation in Distorted Five-Coordinate Cu(II) Complexes: A Case Study with a Set of Closely Related Copper Complexes of Pyridine-2,6-dicarboxamide Ligands","Inorganic Chemistry","2001","40","","7003","7008","10.1021/ic010523n","","","0.71073","MoKα","","0.1285","0.0754","","","0.1793","0.2107","","","","","","1.023","","","","has coordinates,has disorder","179310","2020-10-21","18:00:00","" "4320762","11.546","0.002","10.741","0.002","21.402","0.003","90","","96.201","0.015","90","","2638.7","0.8","130","2","130","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","[Cu(dmppy)(o-phen)][NaClO4].1.5CH3CN","","","- C24 H15.5 Cl Cu N6.5 Na O6 -","- C24 H14 Cl Cu N6.5 Na O6 -","- C96 H56 Cl4 Cu4 N26 Na4 O24 -","4","1","","Dana S. Marlin; Marilyn M. Olmstead; Pradip K. Mascharak","Structure-Spectroscopy Correlation in Distorted Five-Coordinate Cu(II) Complexes: A Case Study with a Set of Closely Related Copper Complexes of Pyridine-2,6-dicarboxamide Ligands","Inorganic Chemistry","2001","40","","7003","7008","10.1021/ic010523n","","","0.71073","MoKα","","0.1207","0.0699","","","0.168","0.2035","","","","","","1.028","","","","has coordinates","176467","2020-10-21","18:00:00","" "4320763","15.78","0.002","15.334","0.002","13.898","0.002","90","","110.912","0.007","90","","3141.4","0.7","92","2","92","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","[Cu(dmppy)(Me2-phen)].NaClO4.1.2CH3CN.0.4toluene","","","- C28.2 H27.8 Cl Cu N6.2 Na O6 -","- C28.2 H21 Cl Cu N6.2 Na O6 -","- C112.8 H84 Cl4 Cu4 N24.8 Na4 O24 -","4","1","","Dana S. Marlin; Marilyn M. Olmstead; Pradip K. Mascharak","Structure-Spectroscopy Correlation in Distorted Five-Coordinate Cu(II) Complexes: A Case Study with a Set of Closely Related Copper Complexes of Pyridine-2,6-dicarboxamide Ligands","Inorganic Chemistry","2001","40","","7003","7008","10.1021/ic010523n","","","0.71073","MoKα","","0.0953","0.0708","","","0.1915","0.2085","","","","","","1.065","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00","" "4320764","15.122","0.002","11.7901","0.0012","17.423","0.002","90","","104.458","0.012","90","","3008","0.6","193","2","193","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C24 H48 Cl Cu N10 O4 -","- C24 H48 Cl Cu N10 O4 -","- C96 H192 Cl4 Cu4 N40 O16 -","4","1","","Volker Raab; Jennifer Kipke; Olaf Burghaus; Jörg Sundermeyer","Copper Complexes of Novel Superbasic Peralkylguanidine Derivatives of Tris(2-aminoethyl)amine as Constraint Geometry Ligands","Inorganic Chemistry","2001","40","","6964","6971","10.1021/ic010563r","","","0.71073","MoKα","","0.0629","0.0518","","","0.1407","0.1489","","","","","","1.052","","","","has coordinates","179310","2020-10-21","18:00:00","" "4320765","16.08","0.002","13.2459","0.0013","16.367","0.003","90","","94.194","0.019","90","","3476.7","0.8","193","2","193","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C23 H51 Cl2 Cu N11 O8 -","- C23 H51 Cl2 Cu N11 O8 -","- C92 H204 Cl8 Cu4 N44 O32 -","4","1","","Volker Raab; Jennifer Kipke; Olaf Burghaus; Jörg Sundermeyer","Copper Complexes of Novel Superbasic Peralkylguanidine Derivatives of Tris(2-aminoethyl)amine as Constraint Geometry Ligands","Inorganic Chemistry","2001","40","","6964","6971","10.1021/ic010563r","","","0.71073","MoKα","","0.0761","0.0618","","","0.1837","0.2073","","","","","","1.198","","","","has coordinates","179310","2020-10-21","18:00:00","" "4320766","11.8131","0.0017","11.8131","0.0017","35.056","0.005","90","","90","","120","","4236.6","1.1","203","2","203","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C21 H48 Cl Cu N10 O -","- C21 H48 Cl Cu N10 O -","- C126 H288 Cl6 Cu6 N60 O6 -","6","0.333333","","Volker Raab; Jennifer Kipke; Olaf Burghaus; Jörg Sundermeyer","Copper Complexes of Novel Superbasic Peralkylguanidine Derivatives of Tris(2-aminoethyl)amine as Constraint Geometry Ligands","Inorganic Chemistry","2001","40","","6964","6971","10.1021/ic010563r","","","0.71073","MoKα","","0.0456","0.0432","","","0.1179","0.1206","","","","","","1.055","","","","has coordinates","264242","2021-04-16","08:52:17","" "4320767","13.1035","0.0013","13.107","0.0009","29.21","0.002","89.958","0.008","89.599","0.011","60.428","0.007","4363.1","0.7","203","2","203","2","","","","","","","","6","P -1","-P 1","2","","","","- C65 H150 Cl5 Cu3 N30 O -","- C63 H144 Cl5 Cu3 N30 -","- C126 H288 Cl10 Cu6 N60 -","2","1","","Volker Raab; Jennifer Kipke; Olaf Burghaus; Jörg Sundermeyer","Copper Complexes of Novel Superbasic Peralkylguanidine Derivatives of Tris(2-aminoethyl)amine as Constraint Geometry Ligands","Inorganic Chemistry","2001","40","","6964","6971","10.1021/ic010563r","","","0.71069","MoKα","","0.0797","0.0434","","","0.1075","0.1198","","","","","","0.805","","","","has coordinates","179310","2020-10-21","18:00:00","" "4320768","10.759","0.0015","12.7771","0.0018","14.927","0.002","90","","99.825","0.003","90","","2021.9","0.5","298","2","298","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C15 H17 Ag F3 N5 O3 S -","- C15 H17 Ag F3 N5 O3 S -","- C60 H68 Ag4 F12 N20 O12 S4 -","4","1","","Youngjin Kang; Shim Sung Lee; Ki-Min Park; Seung Hee Lee; Sang Ook Kang; Jaejung Ko","Self-Assembly of One-Dimensional Coordination Polymers from AgX (X = CF3SO3-, ClO4-, and NO3-) and 2-Aminomethylpyridinedipropionitrile (2-AMPDPN)","Inorganic Chemistry","2001","40","","7027","7031","10.1021/ic0105765","","","0.71073","MoKα","","0.065","0.0441","","","0.1225","0.1349","","","","","","1.033","","","","has coordinates","179310","2020-10-21","18:00:00","" "4320769","9.5444","0.0014","18.787","0.003","8.6969","0.0014","90","","90.325","0.003","90","","1559.4","0.4","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C12 H14 Ag Cl N4 O4 -","- C12 H14 Ag Cl N4 O4 -","- C48 H56 Ag4 Cl4 N16 O16 -","4","1","","Youngjin Kang; Shim Sung Lee; Ki-Min Park; Seung Hee Lee; Sang Ook Kang; Jaejung Ko","Self-Assembly of One-Dimensional Coordination Polymers from AgX (X = CF3SO3-, ClO4-, and NO3-) and 2-Aminomethylpyridinedipropionitrile (2-AMPDPN)","Inorganic Chemistry","2001","40","","7027","7031","10.1021/ic0105765","","","0.71073","MoKα","","0.0788","0.0687","","","0.2055","0.2106","","","","","","1.188","","","","has coordinates","179310","2020-10-21","18:00:00","" "4320770","8.5485","0.0014","12.781","0.002","13.333","0.002","90","","90","","90","","1456.7","0.4","298","2","298","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C12 H14 Ag N5 O3 -","- C12 H14 Ag N5 O3 -","- C48 H56 Ag4 N20 O12 -","4","1","","Youngjin Kang; Shim Sung Lee; Ki-Min Park; Seung Hee Lee; Sang Ook Kang; Jaejung Ko","Self-Assembly of One-Dimensional Coordination Polymers from AgX (X = CF3SO3-, ClO4-, and NO3-) and 2-Aminomethylpyridinedipropionitrile (2-AMPDPN)","Inorganic Chemistry","2001","40","","7027","7031","10.1021/ic0105765","","","0.71073","MoKα","","0.0655","0.0548","","","0.2128","0.2194","","","","","","1.26","","","","has coordinates","179310","2020-10-21","18:00:00","" "4320771","24.186","0.001","12.189","0.001","8.963","0.001","90","","92.344","0.002","90","","2640.1","0.4","150.2","","","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C15 H12 Ag F3 O3 S13 -","- C15 H12 Ag F3 O3 S13 -","- C60 H48 Ag4 F12 O12 S52 -","4","1","","Jian Chu Zhong; Yohji Misaki; Megumu Munakata; Takayoshi Kuroda-Sowa; Masahiko Maekawa; Yusaku Suenaga; Hisashi Konaka","Silver(I) Coordination Polymer of 2,5-Bis- (4',5'-bis(methylthio)-1',3'-dithiol-2'-ylidene)- 1,3,4,6-tetrathiapentalene (TTM-TTP) and Its Highly Conductive Iodine Derivative","Inorganic Chemistry","2001","40","","7096","7098","10.1021/ic010630h","","","0.7107","MoKα","","","0.0213","","","","0.0488","","","","","","1.042","","","","has coordinates","176467","2020-10-21","18:00:00","" "4320772","12.781","0.007","21.254","0.011","14.342","0.008","90","","104.886","0.009","90","","3765","4","298","2","298","2","","","","","","","","9","P 1 21 1","P 2yb","4","","","","- C31.5 H33 B Cl F4 O4 P Ru2 Si2 -","- C31.5 H33 B Cl F4 O4 P Ru2 Si2 -","- C126 H132 B4 Cl4 F16 O16 P4 Ru8 Si8 -","4","2","","Maxim V. Ovchinnikov; Arkady M. Ellern; Ilia A. Guzei; Robert J. Angelici","Reactions of the Protonated Dinuclear Ruthenium Complex [{(η5-C5H3)2(SiMe2)2}Ru2(CO)4(μ-H)]+ with Nucleophiles","Inorganic Chemistry","2001","40","","7014","7019","10.1021/ic010644n","","","0.71073","MoKα","","0.0673","0.0526","","","0.122","0.1302","","","","","","1.023","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00","" "4320773","16.784","0.0011","13.2842","0.0008","19.9675","0.0013","90","","90","","90","","4452","0.5","298","2","298","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C19 H22 O5 Ru2 Si2 -","- C19 H22 O5 Ru2 Si2 -","- C152 H176 O40 Ru16 Si16 -","8","1","","Maxim V. Ovchinnikov; Arkady M. Ellern; Ilia A. Guzei; Robert J. Angelici","Reactions of the Protonated Dinuclear Ruthenium Complex [{(η5-C5H3)2(SiMe2)2}Ru2(CO)4(μ-H)]+ with Nucleophiles","Inorganic Chemistry","2001","40","","7014","7019","10.1021/ic010644n","","","0.71073","MoKα","","0.0376","0.023","","","0.0528","0.0571","","","","","","0.974","","","","has coordinates","179310","2020-10-21","18:00:00","" "4320774","10.5499","0.0004","14.3295","0.0006","16.4601","0.0007","92.7868","0.001","106.532","0.001","102.35","0.001","2314.31","0.16","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C19 H22 O5 Ru2 S Si2 -","- C19 H22 O5 Ru2 S Si2 -","- C76 H88 O20 Ru8 S4 Si8 -","4","2","","Maxim V. Ovchinnikov; Arkady M. Ellern; Ilia A. Guzei; Robert J. Angelici","Reactions of the Protonated Dinuclear Ruthenium Complex [{(η5-C5H3)2(SiMe2)2}Ru2(CO)4(μ-H)]+ with Nucleophiles","Inorganic Chemistry","2001","40","","7014","7019","10.1021/ic010644n","","","0.71073","MoKα","","0.023","0.0201","","","0.0504","0.0515","","","","","","1.041","","","","has coordinates","179310","2020-10-21","18:00:00","" "4320775","11.444","0.003","16.799","0.008","19.801","0.006","90.45","0.03","91.59","0.02","94.28","0.03","3794","2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C86 H88 B2 Fe N12 -","- C86.02 H82 B2 Fe N12.02 -","- C172.04 H164 B4 Fe2 N24.04 -","2","1","","P. Manikandan; K. Padmakumar; K. R. Justin Thomas; B. Varghese; P. T. Manoharan","Lattice-Dictated Conformers in Bis(pyrazolyl)pyridine-Based Iron(II) Complexes: Mössbauer, NMR, and Magnetic Studies","Inorganic Chemistry","2001","40","","6930","6939","10.1021/ic010655g","","","0.71073","MoKα","","0.1078","0.0542","","0.1696","0.1364","","","","1.085","1.149","1.149","","","","","has coordinates","179310","2020-10-21","18:00:00","" "4320776","12.6452","0.001","15.361","0.003","42.412","0.005","90","","90","","90","","8238","2","293","2","293","2","","","","","","","","6","I b c a","-I 2b 2c","73","","","","- C34 H42 F12 Fe N10 P2 -","- C34 H42 F12 Fe N10 P2 -","- C272 H336 F96 Fe8 N80 P16 -","8","0.5","","P. Manikandan; K. Padmakumar; K. R. Justin Thomas; B. Varghese; P. T. Manoharan","Lattice-Dictated Conformers in Bis(pyrazolyl)pyridine-Based Iron(II) Complexes: Mössbauer, NMR, and Magnetic Studies","Inorganic Chemistry","2001","40","","6930","6939","10.1021/ic010655g","","","0.71073","MoKα","","0.095","0.0563","","","0.1559","0.2033","","","","","","1.067","","","","has coordinates","179310","2020-10-21","18:00:00","" "4320777","11.125","0.009","11.144","0.009","18.698","0.006","90.93","0.04","92.62","0.06","114.6","0.42","2104","8","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C36 H45 Cl2 Fe N11 O8 -","- C36 H45 Cl2 Fe N11 O8 -","- C72 H90 Cl4 Fe2 N22 O16 -","2","1","","P. Manikandan; K. Padmakumar; K. R. Justin Thomas; B. Varghese; P. T. Manoharan","Lattice-Dictated Conformers in Bis(pyrazolyl)pyridine-Based Iron(II) Complexes: Mössbauer, NMR, and Magnetic Studies","Inorganic Chemistry","2001","40","","6930","6939","10.1021/ic010655g","","","0.71073","MoKα","","0.0732","0.0504","","0.147","0.1345","","","","1.094","1.183","1.183","","","","","has coordinates","179310","2020-10-21","18:00:00","" "4320778","11.451","0.003","14.796","0.002","11.029","0.002","91.15","0.02","112.95","0.02","108.93","0.02","1604.4","0.7","296.2","","","","","","","","","","","5","P -1","-P 1","2","","","","- C74 H54 Ag4 Cl4 O16 -","- C74 H54 Ag4 Cl4 O16 -","- C74 H54 Ag4 Cl4 O16 -","1","0.5","","Megumu Munakata; Jian Chu Zhong; Takayoshi Kuroda-Sowa; Masahiko Maekawa; Yusaku Suenaga; Masae Kasahara; Hisashi Konaka","A Double-Decker Silver(I) Coordination Polymer of 1-Methylpyrene with Columnar Aromatic Stacks. Effect of Substituting Groups on Structure of Silver(I) Complexes with Polycyclic Aromatic Hydrocarbons","Inorganic Chemistry","2001","40","","7087","7090","10.1021/ic010668u","","","0.7107","MoKα","","","0.0577","","","","0.1864","","","","","","1.047","","","","has coordinates","176467","2020-10-21","18:00:00","" "4320779","15.792","0.002","18.071","0.003","22.989","0.004","90","","100.09","0.01","90","","6459.1","1.8","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C64 H76 B3 N8 O3 S4 U -","- C64 H76 B3 N8 O3 S4 U -","- C256 H304 B12 N32 O12 S16 U4 -","4","1","","Leonor Maria; Ângela Domingos; Isabel Santos","Unique Uranium(III) Cations Anchored by Polydentate Sulfur-Based Ligands: Synthesis and Structure of [U{H(R)B(timMe)2}2(THF)3][BPh4] (R = H, Ph)","Inorganic Chemistry","2001","40","","6863","6864","10.1021/ic0106827","","","0.71073","MoKα","","0.1847","0.0763","","0.1938","0.105","","","","1.07","1.122","1.122","","","","","has coordinates","179310","2020-10-21","18:00:00","" "4320780","12.818","0.004","16.29","0.003","18.355","0.01","113.09","0.03","106.39","0.03","97.91","0.02","3246","2","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C56 H76 B3 N8 O4 S4 U -","- C56 H68 B3 N8 O4 S4 U -","- C112 H136 B6 N16 O8 S8 U2 -","2","1","","Leonor Maria; Ângela Domingos; Isabel Santos","Unique Uranium(III) Cations Anchored by Polydentate Sulfur-Based Ligands: Synthesis and Structure of [U{H(R)B(timMe)2}2(THF)3][BPh4] (R = H, Ph)","Inorganic Chemistry","2001","40","","6863","6864","10.1021/ic0106827","","","0.71073","MoKα","","0.188","0.1092","","0.369","0.2489","","","","1.101","1.175","1.175","","","","","has coordinates","179310","2020-10-21","18:00:00","" "4320781","34.092","0.002","6.9783","0.0004","16.494","0.0009","90","","109.104","0.001","90","","3707.9","0.4","293.2","","","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","mu-pyrimidine-bis[bis(1,1,1,5,5,5-hexafluoropentane-2,4- dionato)oxovanadium(IV))]","","- C24 H8 F24 N2 O10 V2 -","- C24 H8 F24 N2 O10 V2 -","- C96 H32 F96 N8 O40 V8 -","4","0.5","","Takayuki Ishida; Shin-ichi Mitsubori; Takashi Nogami; Naoya Takeda; Masayasu Ishikawa; Hiizu Iwamura","Ferromagnetic Exchange Coupling of Vanadium(IV) dπ Spins across Pyrimidine Rings: Dinuclear Complexes of Oxovanadium(IV) Bis(1,1,1,5,5,5-hexafluoropentane-2,4-dionate) Bridged by Pyrimidine Derivatives","Inorganic Chemistry","2001","40","","7059","7064","10.1021/ic010730n","","","0.7107","MoKα","","","0.0501","","","","0.1392","","","","","","0.956","","","","has coordinates","176467","2020-10-21","18:00:00","" "4320782","33.866","0.008","7.455","0.002","16.119","0.004","90","","109.627","0.004","90","","3833.1","1.7","293.2","","","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","mu-4-methylpyrimidine-bis[bis(1,1,1,5,5,5-hexafluoropentane-2,4- dionato)oxovanadium(IV))]","","- C25 H10 F24 N2 O10 V2 -","- C25 H6 F24 N2 O10 V2 -","- C100 H24 F96 N8 O40 V8 -","4","0.5","","Takayuki Ishida; Shin-ichi Mitsubori; Takashi Nogami; Naoya Takeda; Masayasu Ishikawa; Hiizu Iwamura","Ferromagnetic Exchange Coupling of Vanadium(IV) dπ Spins across Pyrimidine Rings: Dinuclear Complexes of Oxovanadium(IV) Bis(1,1,1,5,5,5-hexafluoropentane-2,4-dionate) Bridged by Pyrimidine Derivatives","Inorganic Chemistry","2001","40","","7059","7064","10.1021/ic010730n","","","0.7107","MoKα","","","0.0833","","","","0.1918","","","","","","1.115","","","","has coordinates","176467","2020-10-21","18:00:00","" "4320783","13.942","0.002","17.062","0.003","18.648","0.003","65.77","0.02","74.48","0.02","67.64","0.02","3708.2","1.3","301.2","","301.2","","","","","","","","","7","P -1","-P 1","2","","","","- C70 H58 Au2 F12 I2 O P6 -","- C70 H57 Au2 F14 I2 O P6 -","- C140 H114 Au4 F28 I4 O2 P12 -","2","1","","Vivian Wing-Wah Yam; Chi-Kwan Li; Chui-Ling Chan; Kung-Kai Cheung","Synthesis, Structural Characterization, and Photophysics of Dinuclear Gold(II) Complexes [{Au(dppn)Br}2](PF6)2 and [{Au(dppn)I}2](PF6)2 with an Unsupported AuII-AuII Bond","Inorganic Chemistry","2001","40","","7054","7058","10.1021/ic010744t","","","0.7107","MoKalpha","","","0.0557","","","0.0738","","","","","1.883","1.883","","","","","has coordinates","176467","2020-10-21","18:00:00","" "4320784","28.844","0.003","28.844","0.003","10.575","0.001","90","","90","","90","","8798.1","1.5","293","2","293","2","","","","","","","","6","I -4","I -4","82","","","","- C36 H36 Er N3 O13 P2 -","- C36 H36 Er N3 O13 P2 -","- C288 H288 Er8 N24 O104 P16 -","8","1","","Robert T. Paine; Yun-Chou Tan; Xin-Min Gan","Synthesis and Coordination Chemistry of 2,6-Bis(diphenylphosphinomethyl)phenol P,P'-Dioxides","Inorganic Chemistry","2001","40","","7009","7013","10.1021/ic0107633","","","0.71073","MoKα","","0.093","0.0473","","0.1073","0.0983","","","","1.053","1.39","1.39","","","","","has coordinates,has disorder","179310","2020-10-21","18:00:00","" "4320785","18.417","0.003","16.661","0.002","15.994","0.002","90","","103.81","0.01","90","","4765.8","1.2","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C42 H48 N3 Nd O14 P2 -","- C42 H48 N3 Nd O14 P2 -","- C168 H192 N12 Nd4 O56 P8 -","4","1","","Robert T. Paine; Yun-Chou Tan; Xin-Min Gan","Synthesis and Coordination Chemistry of 2,6-Bis(diphenylphosphinomethyl)phenol P,P'-Dioxides","Inorganic Chemistry","2001","40","","7009","7013","10.1021/ic0107633","","","0.71073","MoKα","","0.1077","0.0403","","0.0894","0.0725","","","","1.065","1.335","1.335","","","","","has coordinates,has disorder","179310","2020-10-21","18:00:00","" "4320786","7.4366","0.0003","10.3743","0.0005","13.1151","0.0006","90","","101.097","0.001","90","","992.91","0.08","153","2","153","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- Cs4 O2 S10 V2 -","- Cs4 O2 S10 V2 -","- Cs8 O4 S20 V4 -","2","0.5","","Mehtap Emirdag-Eanes; James A. Ibers","Synthesis and Characterization of New Oxidopolysulfidovanadates","Inorganic Chemistry","2001","40","","6910","6912","10.1021/ic010809s","","","0.71073","MoKα","","0.0247","0.0195","","","0.0434","0.046","","","","","","1.086","","","","has coordinates","179310","2020-10-21","18:00:00","" "4320787","8.4451","0.0006","24.5144","0.0018","14.0995","0.001","90","","101.325","0.001","90","","2862.1","0.4","153","2","153","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- Cs5 O3 S16 V3 -","- Cs5 O3 S16 V3 -","- Cs20 O12 S64 V12 -","4","1","","Mehtap Emirdag-Eanes; James A. Ibers","Synthesis and Characterization of New Oxidopolysulfidovanadates","Inorganic Chemistry","2001","40","","6910","6912","10.1021/ic010809s","","","0.71073","MoKα","","0.0748","0.0433","","","0.09","0.1046","","","","","","1.043","","","","has coordinates","179310","2020-10-21","18:00:00","" "4320788","31.047","0.003","12.5355","0.0011","8.7822","0.0008","90","","93.127","0.002","90","","3412.9","0.5","153","2","153","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C2 H9.2 K6 O6.6 S19 V4 -","- C2 H6 K6 O6.6 S19 V4 -","- C8 H24 K24 O26.4 S76 V16 -","4","0.5","","Mehtap Emirdag-Eanes; James A. Ibers","Synthesis and Characterization of New Oxidopolysulfidovanadates","Inorganic Chemistry","2001","40","","6910","6912","10.1021/ic010809s","","","0.71073","MoKα","","0.0728","0.0412","","","0.0957","0.1199","","","","","","1.063","","","","has coordinates","176467","2020-10-21","18:00:00","" "4320789","14.4564","0.0007","15.6851","0.0003","18.1251","0.0002","90","","105.533","0.0004","90","","3959.8","0.2","273.2","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H20 P2 Ru S -","- C49 H40 P2 Ru S -","- C196 H160 P8 Ru4 S4 -","4","1","","Yusuke Sunada; Yuji Hayashi; Hiroyuki Kawaguchi; Kazuyuki Tatsumi","Alkynethiolato and Alkyneselenolato Ruthenium Half-Sandwich Complexes: Synthesis, Structures, and Reactions with (η5-C5H5)2Zr","Inorganic Chemistry","2001","40","","7072","7078","10.1021/ic010826h","","","0.7107","MoKα","","","0.0463","","","","0.0786","","","","","","2.827","","","","has coordinates","176467","2020-10-21","18:00:00","" "4320790","10.2855","0.0008","13.976","0.002","14.583","0.002","99.03","0.005","108.29","0.002","100.284","0.002","1906.9","0.4","273.2","","","","","","","","","","","5","P -1","-P 1","2","","","","- C47 H44 P2 Ru S -","- C47 H44 P2 Ru S -","- C94 H88 P4 Ru2 S2 -","2","1","","Yusuke Sunada; Yuji Hayashi; Hiroyuki Kawaguchi; Kazuyuki Tatsumi","Alkynethiolato and Alkyneselenolato Ruthenium Half-Sandwich Complexes: Synthesis, Structures, and Reactions with (η5-C5H5)2Zr","Inorganic Chemistry","2001","40","","7072","7078","10.1021/ic010826h","","","0.7107","MoKα","","","0.0475","","","","0.0617","","","","","","1.28","","","","has coordinates","176467","2020-10-21","18:00:00","" "4320791","16.007","0.004","15.255","0.003","18.023","0.004","90","","108.62","0.02","90","","4170.6","1.7","296.2","","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C49 H40 P2 Ru Se -","- C52 H40 P2 Ru Se -","- C208 H160 P8 Ru4 Se4 -","4","1","","Yusuke Sunada; Yuji Hayashi; Hiroyuki Kawaguchi; Kazuyuki Tatsumi","Alkynethiolato and Alkyneselenolato Ruthenium Half-Sandwich Complexes: Synthesis, Structures, and Reactions with (η5-C5H5)2Zr","Inorganic Chemistry","2001","40","","7072","7078","10.1021/ic010826h","","","0.7107","MoKα","","","0.0396","","","","0.0406","","","","","","1.33","","","","has coordinates","176467","2020-10-21","18:00:00","" "4320792","15.959","0.005","15.207","0.005","17.67","0.01","90","","105.94","0.04","90","","4123","3","296.2","","","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C46 H44 P2 Ru Se Si -","- C46 H44 P2 Ru Se Si -","- C184 H176 P8 Ru4 Se4 Si4 -","4","1","","Yusuke Sunada; Yuji Hayashi; Hiroyuki Kawaguchi; Kazuyuki Tatsumi","Alkynethiolato and Alkyneselenolato Ruthenium Half-Sandwich Complexes: Synthesis, Structures, and Reactions with (η5-C5H5)2Zr","Inorganic Chemistry","2001","40","","7072","7078","10.1021/ic010826h","","","0.7107","MoKα","","","0.0293","","","","0.0368","","","","","","1.684","","","","has coordinates","176467","2020-10-21","18:00:00","" "4320793","11.3623","0.0003","14.1584","0.0002","18.4452","0.0003","90","","95.9407","0.0008","90","","2951.38","0.1","273.2","","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C30 H50 P2 Ru S -","- C30 H50 P2 Ru S -","- C120 H200 P8 Ru4 S4 -","4","1","","Yusuke Sunada; Yuji Hayashi; Hiroyuki Kawaguchi; Kazuyuki Tatsumi","Alkynethiolato and Alkyneselenolato Ruthenium Half-Sandwich Complexes: Synthesis, Structures, and Reactions with (η5-C5H5)2Zr","Inorganic Chemistry","2001","40","","7072","7078","10.1021/ic010826h","","","0.7107","MoKα","","","0.0291","","","","0.0416","","","","","","2.886","","","","has coordinates","176467","2020-10-21","18:00:00","" "4320794","8.1073","0.0006","13.635","0.001","18.153","0.001","111.993","0.0006","97.3595","0.0008","92.0565","0.0009","1837.7","0.2","273.2","","","","","","","","","","","7","P -1","-P 1","2","","","","- C20 H20 O P Ru S Zr -","- C45 H42.5 O P Ru S Zr -","- C90 H85 O2 P2 Ru2 S2 Zr2 -","2","1","","Yusuke Sunada; Yuji Hayashi; Hiroyuki Kawaguchi; Kazuyuki Tatsumi","Alkynethiolato and Alkyneselenolato Ruthenium Half-Sandwich Complexes: Synthesis, Structures, and Reactions with (η5-C5H5)2Zr","Inorganic Chemistry","2001","40","","7072","7078","10.1021/ic010826h","","","0.7107","MoKα","","","0.0483","","","","0.063","","","","","","1.723","","","","has coordinates","176467","2020-10-21","18:00:00","" "4320795","8.198","0.003","13.851","0.005","18.253","0.007","112.416","0.003","97.215","0.007","91.569","0.009","1894.4","1.2","273.2","","","","","","","","","","","6","P -1","-P 1","2","","","","- C47 H35 P Ru Se Zr -","- C47 H35 P Ru Se Zr -","- C94 H70 P2 Ru2 Se2 Zr2 -","2","1","","Yusuke Sunada; Yuji Hayashi; Hiroyuki Kawaguchi; Kazuyuki Tatsumi","Alkynethiolato and Alkyneselenolato Ruthenium Half-Sandwich Complexes: Synthesis, Structures, and Reactions with (η5-C5H5)2Zr","Inorganic Chemistry","2001","40","","7072","7078","10.1021/ic010826h","","","0.7107","MoKα","","","0.0427","","","","0.0489","","","","","","1.49","","","","has coordinates","176467","2020-10-21","18:00:00","" "4320796","16.4","0.005","8.24","0.003","16.908","0.004","90","","113.93","0.02","90","","2088.5","1.2","296.2","","","","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C24 H20 O Ru Se Zr -","- C24 O Ru Se Zr -","- C96 O4 Ru4 Se4 Zr4 -","4","1","","Yusuke Sunada; Yuji Hayashi; Hiroyuki Kawaguchi; Kazuyuki Tatsumi","Alkynethiolato and Alkyneselenolato Ruthenium Half-Sandwich Complexes: Synthesis, Structures, and Reactions with (η5-C5H5)2Zr","Inorganic Chemistry","2001","40","","7072","7078","10.1021/ic010826h","","","0.7107","MoKα","","","0.0399","","","","0.041","","","","","","1.637","","","","has coordinates","176467","2020-10-21","18:00:00","" "4320797","8.7946","0.0007","8.8305","0.0007","11.9783","0.0003","87.818","0.001","84.896","0.003","63.824","0.004","831.53","0.1","155","2","155","2","","","","","","","synthetic","4","P -1","-P 1","2","","","","- Cl4 Os2 Re4 Se8 -","- Cl4 Os1.98 Re4.02 Se8 -","- Cl8 Os3.96 Re8.04 Se16 -","2","1","","Eric G. Tulsky; Jeffrey R. Long","Heterometal Substitution in the Dimensional Reduction of Cluster Frameworks: Synthesis of Soluble [Re6-nOsnSe8Cl6](4-n) (n = 1-3) Cluster-Containing Solids","Inorganic Chemistry","2001","40","","6990","7002","10.1021/ic010867d","","","0.71073","MoKα","","0.0887","0.0458","","0.1046","0.0951","","","","0.908","1.095","1.095","","","","","has coordinates","179310","2020-10-21","18:00:00","" "4320798","9.7255","0.0007","12.8958","0.0009","11.83","0.0009","90","","113.918","0.001","90","","1356.29","0.17","161","2","161","2","","","","","","","synthetic","7","P 1 21/n 1","-P 2yn","14","","","","- Cl6 Cs3 H4 O2 Os Re5 Se8 -","- Cl6 Cs3 O2 Os1.02 Re4.98 Se8 -","- Cl12 Cs6 O4 Os2.04 Re9.96 Se16 -","2","0.5","","Eric G. Tulsky; Jeffrey R. Long","Heterometal Substitution in the Dimensional Reduction of Cluster Frameworks: Synthesis of Soluble [Re6-nOsnSe8Cl6](4-n) (n = 1-3) Cluster-Containing Solids","Inorganic Chemistry","2001","40","","6990","7002","10.1021/ic010867d","","","0.71073","MoKα","","0.0684","0.0589","","0.1651","0.1606","","","","1.053","1.142","1.142","","","","","has coordinates","176467","2020-10-21","18:00:00","" "4320799","9.8333","0.0002","9.8333","0.0002","14.1252","0.0001","90","","90","","120","","1182.83","0.04","153","2","153","2","","","","","","","synthetic","5","P -3 1 c","-P 3 2c","163","","","","- Cl6 Cs2 Os2 Re4 Se8 -","- Cl6 Cs2 Os1.98 Re4.02 Se8 -","- Cl12 Cs4 Os3.96 Re8.04 Se16 -","2","0.166667","","Eric G. Tulsky; Jeffrey R. Long","Heterometal Substitution in the Dimensional Reduction of Cluster Frameworks: Synthesis of Soluble [Re6-nOsnSe8Cl6](4-n) (n = 1-3) Cluster-Containing Solids","Inorganic Chemistry","2001","40","","6990","7002","10.1021/ic010867d","","","0.71073","MoKα","","0.0709","0.0592","","0.1528","0.1457","","","","1.233","1.34","1.34","","","","","has coordinates","179310","2020-10-21","18:00:00","" "4320800","12.9553","0.0003","12.9553","0.0003","12.9553","0.0003","90","","90","","90","","2174.41","0.09","160","2","293","2","","","","","","","synthetic","5","P n -3 :2","-P 2ab 2bc 3","201","","","","- Cl6.5 K Os2.5 Re3.5 Se7.5 -","- Cl6.48 K Os2.52 Re3.48 Se7.52 -","- Cl25.92 K4 Os10.08 Re13.92 Se30.08 -","4","0.166667","","Eric G. Tulsky; Jeffrey R. Long","Heterometal Substitution in the Dimensional Reduction of Cluster Frameworks: Synthesis of Soluble [Re6-nOsnSe8Cl6](4-n) (n = 1-3) Cluster-Containing Solids","Inorganic Chemistry","2001","40","","6990","7002","10.1021/ic010867d","","","0.71073","MoKα","","0.0477","0.0224","","0.0332","0.0309","","","","0.883","0.993","0.993","","","","","has coordinates","176467","2020-10-21","18:00:00","" "4320801","12.5328","0.0004","12.5489","0.0005","13.9561","0.0005","85.714","0.001","76.901","0.001","72.122","0.001","2034.54","0.13","161","2","161","2","","","","","","","synthetic","8","P -1","-P 1","2","","","","- C56 H128 Cl6 N3 O2 Os Re5 Se8 -","- C54.5 H58 Cl6 N2 O Os1.02 Re4.98 Se8 -","- C54.5 H58 Cl6 N2 O Os1.02 Re4.98 Se8 -","1","0.5","","Eric G. Tulsky; Jeffrey R. Long","Heterometal Substitution in the Dimensional Reduction of Cluster Frameworks: Synthesis of Soluble [Re6-nOsnSe8Cl6](4-n) (n = 1-3) Cluster-Containing Solids","Inorganic Chemistry","2001","40","","6990","7002","10.1021/ic010867d","","","0.71073","MoKα","","0.097","0.053","","0.1383","0.124","","","","0.854","1.048","1.048","","","","","has coordinates","179311","2020-10-21","18:00:00","" "4320802","22.4968","0.0005","11.7187","0.0003","22.36","0.0006","90","","112.412","0.001","90","","5449.6","0.2","153","2","153","2","","","","","","","synthetic","7","P 1 21/c 1","-P 2ybc","14","","","","- C32 H72 Cl6 N2 Os2 Re4 Se8 -","- C32 H72 Cl6 N2 Os1.98 Re4.02 Se8 -","- C128 H288 Cl24 N8 Os7.92 Re16.08 Se32 -","4","1","","Eric G. Tulsky; Jeffrey R. Long","Heterometal Substitution in the Dimensional Reduction of Cluster Frameworks: Synthesis of Soluble [Re6-nOsnSe8Cl6](4-n) (n = 1-3) Cluster-Containing Solids","Inorganic Chemistry","2001","40","","6990","7002","10.1021/ic010867d","","","0.71073","MoKα","","0.0878","0.0371","","0.0685","0.0593","","","","0.867","0.986","0.986","","","","","has coordinates","179311","2020-10-21","18:00:00","" "4320803","15.7994","0.0012","17.3613","0.0013","24.979","0.002","90","","97.023","0.001","90","","6800.3","0.9","165","2","165","2","","","","","","","synthetic","8","C 1 2/c 1","-C 2yc","15","","","","- C42 H99 Cl3 N3 Os P6 Re5 Se8 -","- C42 H96 Cl3 N3 Os1.02 P6 Re4.98 Se8 -","- C168 H384 Cl12 N12 Os4.08 P24 Re19.92 Se32 -","4","0.5","","Eric G. Tulsky; Jeffrey R. Long","Heterometal Substitution in the Dimensional Reduction of Cluster Frameworks: Synthesis of Soluble [Re6-nOsnSe8Cl6](4-n) (n = 1-3) Cluster-Containing Solids","Inorganic Chemistry","2001","40","","6990","7002","10.1021/ic010867d","","","0.71073","MoKα","","0.065","0.0307","","0.0581","0.0533","","","","0.782","0.918","0.918","","","","","has coordinates","179311","2020-10-21","18:00:00","" "4320804","16.5571","0.0012","14.3299","0.001","17.3163","0.0013","90","","94.205","0.002","90","","4097.4","0.5","145","2","145","2","","","","","","","synthetic","10","P 1 21/n 1","-P 2yn","14","","","","- C36 H90 Cl0 I12 N0 O0 Os2 P6 Re4 Se8 -","- C36 H90 I12 Os1.98 P6 Re4.02 Se8 -","- C72 H180 I24 Os3.96 P12 Re8.04 Se16 -","2","0.5","","Eric G. Tulsky; Jeffrey R. Long","Heterometal Substitution in the Dimensional Reduction of Cluster Frameworks: Synthesis of Soluble [Re6-nOsnSe8Cl6](4-n) (n = 1-3) Cluster-Containing Solids","Inorganic Chemistry","2001","40","","6990","7002","10.1021/ic010867d","","","0.71073","MoKα","","0.1254","0.0486","","0.165","0.1127","","","","0.959","1.074","1.074","","","","","has coordinates","179311","2020-10-21","18:00:00","" "4320805","9.2771","0.0003","11.7511","0.0004","15.197","0.0005","90","","103.884","0.002","90","","1608.31","0.09","152","2","152","2","","","","","","","synthetic","7","P 1 21/n 1","-P 2yn","14","","","","- C12 H30 Cl4 Os2 P2 Re4 Se8 -","- C12 H30 Cl4 Os2 P2 Re4 Se8 -","- C24 H60 Cl8 Os4 P4 Re8 Se16 -","2","0.5","","Eric G. Tulsky; Jeffrey R. Long","Heterometal Substitution in the Dimensional Reduction of Cluster Frameworks: Synthesis of Soluble [Re6-nOsnSe8Cl6](4-n) (n = 1-3) Cluster-Containing Solids","Inorganic Chemistry","2001","40","","6990","7002","10.1021/ic010867d","","","0.71073","MoKα","","0.0572","0.0377","","0.0917","0.0861","","","","0.98","1.088","1.088","","","","","has coordinates","179311","2020-10-21","18:00:00","" "4320806","10.049","0.002","14.29","0.003","18.843","0.007","75.896","0.017","77.73","0.02","77.018","0.007","2521.3","1.2","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C36 H46 Cu3 N12 O20 -","- C36 H46 Cu3 N12 O20 -","- C72 H92 Cu6 N24 O40 -","2","1","","Deping Cheng; Masood A. Khan; Robert P. Houser","Coordination Polymers Composed of Copper(II), Trimesic Acid, and Imidazole: 3D Architecture Stabilized by Hydrogen Bonding","Inorganic Chemistry","2001","40","","6858","6859","10.1021/ic015609v","","","0.71073","MoKα","","0.0655","0.0565","","","0.1467","0.155","","","","","","1.014","","","","has coordinates","179311","2020-10-21","18:00:00","" "4320807","31.476","0.008","10.0561","0.0019","19.549","0.003","90","","90.21","0.017","90","","6188","2","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C21 H38 Cu1.5 N6 O14.5 -","- C21 H38 Cu1.5 N6 O14.5 -","- C168 H304 Cu12 N48 O116 -","8","1","","Deping Cheng; Masood A. Khan; Robert P. Houser","Coordination Polymers Composed of Copper(II), Trimesic Acid, and Imidazole: 3D Architecture Stabilized by Hydrogen Bonding","Inorganic Chemistry","2001","40","","6858","6859","10.1021/ic015609v","","","0.71073","MoKα","","0.0994","0.0825","","","0.2033","0.2141","","","","","","1.207","","","","has coordinates","176467","2020-10-21","18:00:00","" "4327550","11.1909","0.0002","13.6377","0.0002","17.7623","0.0002","87.516","0.001","82.638","0.001","71.465","0.001","2549.04","0.07","158","2","158","2","","","","","","","","6","P -1","-P 1","2","","","","- C46 H48 N12 Ni4 O12 S2 -","- C46 H48 N12 Ni4 O12 S2 -","- C92 H96 N24 Ni8 O24 S4 -","2","1","","George Psomas; Ann J. Stemmler; Catherine Dendrinou-Samara; Jeffrey J. Bodwin; Manuela Schneider; Maria Alexiou; Jeff W. Kampf; Dimitris P. Kessissoglou; Vincent L. Pecoraro","Preparation of Site-Differentiated Mixed Ligand and Mixed Ligand/Mixed Metal Metallacrowns","Inorganic Chemistry","2001","40","","1562","1570","10.1021/ic000578+","","","0.71073","MoKα","","0.053","0.0382","","","0.0943","0.1021","","","","","","1.042","","","","has coordinates","179378","2020-10-21","18:00:00","" "4327551","14.056","0.003","15.306","0.003","15.806","0.004","67.55","0.02","83.82","0.02","69.58","0.02","2944","1.3","178","2","178","2","","","","","","","","5","P -1","-P 1","2","","","","- C51 H54.5 N11.5 Ni5 O16 -","- C51.2 H43 N11.7 Ni5 O15.85 -","- C102.4 H86 N23.4 Ni10 O31.7 -","2","1","","George Psomas; Ann J. Stemmler; Catherine Dendrinou-Samara; Jeffrey J. Bodwin; Manuela Schneider; Maria Alexiou; Jeff W. Kampf; Dimitris P. Kessissoglou; Vincent L. Pecoraro","Preparation of Site-Differentiated Mixed Ligand and Mixed Ligand/Mixed Metal Metallacrowns","Inorganic Chemistry","2001","40","","1562","1570","10.1021/ic000578+","","","0.71073","MoKα","","0.0868","0.0581","","0.1694","0.1527","","","","1.055","1.15","1.15","","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00","" "4327552","28.322","0.005","9.765","0.001","25.021","0.004","90","","90","","90","","6919.9","1.8","293","2","293","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C61 H72 Mn2 N15 Ni2 O19 -","- C61 H72 Mn2 N15 Ni2 O19 -","- C244 H288 Mn8 N60 Ni8 O76 -","4","0.5","","George Psomas; Ann J. Stemmler; Catherine Dendrinou-Samara; Jeffrey J. Bodwin; Manuela Schneider; Maria Alexiou; Jeff W. Kampf; Dimitris P. Kessissoglou; Vincent L. Pecoraro","Preparation of Site-Differentiated Mixed Ligand and Mixed Ligand/Mixed Metal Metallacrowns","Inorganic Chemistry","2001","40","","1562","1570","10.1021/ic000578+","","","0.71073","MoKα","","0.1086","0.0567","","0.1323","0.115","","","","0.974","1.141","1.141","","","","","has coordinates","179378","2020-10-21","18:00:00","" "4327553","10.52","0.004","8.4238","0.0013","10.502","0.004","90","","108.548","0.012","90","","882.3","0.5","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C12 H14 Br3 Cl2 Cu N2 -","- C12 H12 Br4 Cl2 N2 -","- C24 H24 Br8 Cl4 N4 -","2","0.5","","Roger D. Willett","Bromination of the 3-Chloroanilinium Cation: Structure of a Novel Two-Dimensional Copper(I) Bromide Lattice Prepared via In-Situ Redox Processes","Inorganic Chemistry","2001","40","","966","971","10.1021/ic000699+","","","0.71073","MoKα","","0.058","0.0406","","","0.0846","0.0901","","","","","","1.163","","","","has coordinates","179378","2020-10-21","18:00:00","" "4327554","8.217","0.002","14.496","0.004","16.993","0.004","77.461","0.018","86","0.03","89.22","0.02","1971","0.9","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C12 H12 Br5 Cl2 Cu N2 -","- C12 H12 Br4.9325 Cl2 Cu N2 -","- C48 H48 Br19.73 Cl8 Cu4 N8 -","4","2","","Roger D. Willett","Bromination of the 3-Chloroanilinium Cation: Structure of a Novel Two-Dimensional Copper(I) Bromide Lattice Prepared via In-Situ Redox Processes","Inorganic Chemistry","2001","40","","966","971","10.1021/ic000699+","","","0.71073","MoKα","","0.1138","0.0706","","","0.1607","0.179","","","","","","0.923","","","","has coordinates","179378","2020-10-21","18:00:00","" "4327555","7.2177","0.0002","29.7188","0.0003","10.9309","0.0002","90","","90","","90","","2344.69","0.08","293","2","293","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C6 H5 Br4 Cl Cu N -","- C6 H5 Br3.981 Cl Cu N -","- C48 H40 Br31.848 Cl8 Cu8 N8 -","8","1","","Roger D. Willett","Bromination of the 3-Chloroanilinium Cation: Structure of a Novel Two-Dimensional Copper(I) Bromide Lattice Prepared via In-Situ Redox Processes","Inorganic Chemistry","2001","40","","966","971","10.1021/ic000699+","","","0.71073","MoKα","","0.0869","0.0679","","","0.1219","0.1304","","","","","","1.128","","","","has coordinates","179378","2020-10-21","18:00:00","" "4327556","10.205","0.001","11.206","0.002","15.235","0.002","93.14","0.02","92.54","0.02","114.14","0.01","1583.2","0.4","293","2","293","2","","","","","","","synthesized by the authors, see text","5","P -1","-P 1","2","","","","- C33 H29 P Pt S4 -","- C33 H29 P Pt S4 -","- C66 H58 P2 Pt2 S8 -","2","1","","Alan Shaver; Mohammad El-Khateeb; Anne-Marie Lebuis","Insertion Reactions of (PPh3)2Pt(SR)2 with CS2, where R = H, CMe3, CHMe2, 4-C6H4Me; Structure of (PPh3)Pt(SC6H4Me)(S2CS-4-C6H4Me)","Inorganic Chemistry","2001","40","","5288","5289","10.1021/ic000825+","","","1.54056","CuKα","","0.0411","0.039","","0.1101","","0.1073","","","1.063","","","1.061","","","","has coordinates","179378","2020-10-21","18:00:00","" "4327557","16.462","0.007","22.401","0.009","20.766","0.009","90","","103.853","0.015","90","","7435","5","","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C48 H86 Mn12 O47 -","- C48 H72 Mn12 O47 -","- C192 H288 Mn48 O188 -","4","1","","Sheila M. J. Aubin; Ziming Sun; Hilary J. Eppley; Evan M. Rumberger; Ilia A. Guzei; Kirsten Folting; Peter K. Gantzel; Arnold L. Rheingold; George Christou; David N. Hendrickson","Single-Molecule Magnets: Jahn-Teller Isomerism and the Origin of Two Magnetization Relaxation Processes in Mn12 Complexes","Inorganic Chemistry","2001","40","","2127","2146","10.1021/ic000911+","","","0.71069","MoKα","","","0.0902","","","","0.0811","","","","","","1.2254","","","","has coordinates,has disorder","179378","2020-10-21","18:00:00","" "4327558","29.697","0.009","17.708","0.004","30.204","0.008","90","","102.121","0.015","90","","15529","7","","","","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C120 H88 Cl32 Mn12 O48 -","- C117.198 H68.7052 Cl25.5032 Mn12 O48 -","- C468.792 H274.821 Cl102.013 Mn48 O192 -","4","0.5","","Sheila M. J. Aubin; Ziming Sun; Hilary J. Eppley; Evan M. Rumberger; Ilia A. Guzei; Kirsten Folting; Peter K. Gantzel; Arnold L. Rheingold; George Christou; David N. Hendrickson","Single-Molecule Magnets: Jahn-Teller Isomerism and the Origin of Two Magnetization Relaxation Processes in Mn12 Complexes","Inorganic Chemistry","2001","40","","2127","2146","10.1021/ic000911+","","","0.71069","MoKα","","","0.1093","","","","0.1094","","","","","","2.0347","","","","has coordinates,has disorder","179378","2020-10-21","18:00:00","" "4327559","40.4589","0.0005","18.2288","0.0002","26.5882","0.0004","90","","125.84","","90","","15896.3","0.4","193","2","193","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C136 H128 Mn12 O50 -","- C139 H112 Mn12 O48 -","- C556 H448 Mn48 O192 -","4","0.5","","Sheila M. J. Aubin; Ziming Sun; Hilary J. Eppley; Evan M. Rumberger; Ilia A. Guzei; Kirsten Folting; Peter K. Gantzel; Arnold L. Rheingold; George Christou; David N. Hendrickson","Single-Molecule Magnets: Jahn-Teller Isomerism and the Origin of Two Magnetization Relaxation Processes in Mn12 Complexes","Inorganic Chemistry","2001","40","","2127","2146","10.1021/ic000911+","","","0.71073","MoKα","","0.2154","0.1021","","0.322","0.2488","","","","0.958","1.183","1.183","","","","","has coordinates","179378","2020-10-21","18:00:00","" "4327560","13.256","0.006","13.868","0.004","16.463","0.006","90","","96.35","0.03","90","","3008","2","293","2","222","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C50 H80 B2 Co2 N16 O4 -","- C50 H80 B2 Co2 N16 O4 -","- C100 H160 B4 Co4 N32 O8 -","2","0.5","","Sheila M. J. Aubin; Ziming Sun; Hilary J. Eppley; Evan M. Rumberger; Ilia A. Guzei; Kirsten Folting; Peter K. Gantzel; Arnold L. Rheingold; George Christou; David N. Hendrickson","Single-Molecule Magnets: Jahn-Teller Isomerism and the Origin of Two Magnetization Relaxation Processes in Mn12 Complexes","Inorganic Chemistry","2001","40","","2127","2146","10.1021/ic000911+","","","0.71073","MoKα","","0.1011","0.0563","","0.137","0.1238","","","","1.35","1.55","1.55","","","","","has coordinates","179378","2020-10-21","18:00:00","" "4327561","29.2794","0.0004","32.3271","0.0004","29.8738","0.0006","90","","99.265","0.001","90","","27907.2","0.8","223","2","223","2","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","","","- C128 H112 Mn12 O51 -","- C128 H112 Mn12 O51 -","- C1024 H896 Mn96 O408 -","8","1","","Sheila M. J. Aubin; Ziming Sun; Hilary J. Eppley; Evan M. Rumberger; Ilia A. Guzei; Kirsten Folting; Peter K. Gantzel; Arnold L. Rheingold; George Christou; David N. Hendrickson","Single-Molecule Magnets: Jahn-Teller Isomerism and the Origin of Two Magnetization Relaxation Processes in Mn12 Complexes","Inorganic Chemistry","2001","40","","2127","2146","10.1021/ic000911+","","","0.71073","MoKα","","0.1958","0.088","","0.286","0.2158","","","","1.085","1.262","1.262","","","","","has coordinates","179378","2020-10-21","18:00:00","" "4327562","9.079","0.003","9.551","0.003","10.571","0.004","83.476","0.006","89.613","0.006","69.641","0.005","853.3","0.5","203","2","203","2","","","","","","","","5","P -1","-P 1","2","","","","- C36 H36 N8 Nb2 O2 -","- C36 H36 N8 Nb2 O2 -","- C36 H36 N8 Nb2 O2 -","1","0.5","","Maryam Tayebani; Khalil Feghali; Sandro Gambarotta; Glenn P. A. Yap","Insensitivity of the Nb-Nb Distance in a Paddle-Wheel Compound to Bond Multiplicity and Axial Ligation","Inorganic Chemistry","2001","40","","1399","1401","10.1021/ic001110+","","","0.71073","MoKα","","0.1081","0.0679","","","0.1447","0.1559","","","","","","1.005","","","","has coordinates","179378","2020-10-21","18:00:00","" "4327563","12.6189","0.001","13.5312","0.0006","17.0728","0.0013","99.17","0.004","99.639","0.003","92.101","0.004","2831.3","0.3","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C45 H70 Br2 Cl5 Hg N4 Pt2 -","- C45 H70 Br2 Cl5 Hg N4 Pt2 -","- C90 H140 Br4 Cl10 Hg2 N8 Pt4 -","2","1","","Michael C. Janzen; Michael C. Jennings; Richard J. Puddephatt","Mechanism of Oxidative Addition of Mercury(II) Compounds to Platinum(II)","Inorganic Chemistry","2001","40","","1728","1729","10.1021/ic001145+","","","0.71073","MoKα","","0.1182","0.0646","","","0.151","0.1727","","","","","","1.025","","","","has coordinates,has disorder","179378","2020-10-21","18:00:00","" "4327564","11.6049","0.0003","21.1626","0.0007","13.069","0.0003","90","","116.163","0.002","90","","2880.77","0.15","200","2","200","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C22 H34 Br2 Cl2 Hg N2 Pt -","- C22 H34 Br2 Cl2 Hg N2 Pt -","- C88 H136 Br8 Cl8 Hg4 N8 Pt4 -","4","1","","Michael C. Janzen; Michael C. Jennings; Richard J. Puddephatt","Mechanism of Oxidative Addition of Mercury(II) Compounds to Platinum(II)","Inorganic Chemistry","2001","40","","1728","1729","10.1021/ic001145+","","","0.71073","MoKα","","0.0664","0.0495","","","0.1406","0.1497","","","","","","1.06","","","","has coordinates","179378","2020-10-21","18:00:00","" "4327565","15.5898","0.0003","24.8677","0.0005","18.4731","0.0004","90","","97.725","0.001","90","","7096.7","0.3","150","2","150","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C29 H42 F6 Hg N2 O4 Pt -","- C29 H42 F6 Hg N2 O4 Pt -","- C232 H336 F48 Hg8 N16 O32 Pt8 -","8","2","","Michael C. Janzen; Michael C. Jennings; Richard J. Puddephatt","Mechanism of Oxidative Addition of Mercury(II) Compounds to Platinum(II)","Inorganic Chemistry","2001","40","","1728","1729","10.1021/ic001145+","","","0.71073","MoKα","","0.0732","0.0513","","","0.1315","0.1403","","","","","","0.992","","","","has coordinates,has disorder","179378","2020-10-21","18:00:00","" "4327566","11.9569","0.0003","15.5441","0.0005","16.3182","0.0005","68.79","0.001","76.623","0.002","81.378","0.002","2743.39","0.14","200","2","200","2","","","","","","","","8","P -1","-P 1","2","","","","- C46 H64 Cl4 F6 Hg N4 O4 Pt2 -","- C46 H64 Cl4 F6 Hg N4 O4 Pt2 -","- C92 H128 Cl8 F12 Hg2 N8 O8 Pt4 -","2","1","","Michael C. Janzen; Michael C. Jennings; Richard J. Puddephatt","Mechanism of Oxidative Addition of Mercury(II) Compounds to Platinum(II)","Inorganic Chemistry","2001","40","","1728","1729","10.1021/ic001145+","","","0.71073","MoKα","","0.0614","0.0439","","","0.1078","0.1143","","","","","","0.997","","","","has coordinates,has disorder","179378","2020-10-21","18:00:00","" "4327567","8.5451","0.0007","11.1705","0.0008","15.907","0.001","90.286","0.006","100.529","0.006","110.489","0.006","1394.45","0.19","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","Dichloro(2-pyridylbis(diphenylphosphino)methane)cobalt(II)","","- C30 H25 Cl2 Co N P2 -","- C30 H25 Cl2 Co N P2 -","- C60 H50 Cl4 Co2 N2 P4 -","2","1","","Joel T. Mague; Jamin L. Krinsky","Synthetic and Structural Studies of the Coordination Behavior of 2-Pyridylbis(diphenylphosphino)methane","Inorganic Chemistry","2001","40","","1962","1971","10.1021/ic001266+","","","0.71073","MoKα","","0.1113","0.0397","","","0.0854","0.1049","","","","","","1.002","","","","has coordinates,has disorder","179378","2020-10-21","18:00:00","" "4327568","11.167","0.002","11.957","0.002","15.079","0.003","87.71","0.014","68.52","0.02","62.25","0.02","1637.1","0.7","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","Dichlorobis(mu-chloro)bis(2-pyridylbis(diphenylphosphino)methane)dicadmium Methanol solvate","","- C32 H33 Cd Cl2 N O2 P2 -","- C32 H25 Cd Cl2 N O2 P2 -","- C64 H50 Cd2 Cl4 N2 O4 P4 -","2","1","","Joel T. Mague; Jamin L. Krinsky","Synthetic and Structural Studies of the Coordination Behavior of 2-Pyridylbis(diphenylphosphino)methane","Inorganic Chemistry","2001","40","","1962","1971","10.1021/ic001266+","","","0.71073","MoKα","","0.0739","0.0329","","","0.0829","0.0942","","","1.049","","","","","","","has coordinates","179378","2020-10-21","18:00:00","" "4327569","11.7646","0.0018","13.253","0.002","19.801","0.002","90","","94.591","0.011","90","","3077.4","0.7","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Diacetatobis(mu-acetato)bis(2-pyridylbis(diphenylphosphino)methane)dicadmium","","- C34 H31 Cd N O4 P2 -","- C34 H31 Cd N O4 P2 -","- C136 H124 Cd4 N4 O16 P8 -","4","1","","Joel T. Mague; Jamin L. Krinsky","Synthetic and Structural Studies of the Coordination Behavior of 2-Pyridylbis(diphenylphosphino)methane","Inorganic Chemistry","2001","40","","1962","1971","10.1021/ic001266+","","","0.71073","MoKα","","0.0802","0.0437","","","0.114","0.1232","","","","","","1.131","","","","has coordinates","179378","2020-10-21","18:00:00","" "4327570","17.0065","0.0019","10.8139","0.0007","20.6781","0.0018","90","","114.175","0.009","90","","3469.3","0.6","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","fac-Bromo(2-pyridylbis(diphenylphosphino)methane)tricarbonylrhenium(I) acetone solvate","","- C35.25 H29.5 Br N O3.75 P2 Re -","- C35.25 H29.5 Br N O3.75 P2 Re -","- C141 H118 Br4 N4 O15 P8 Re4 -","4","1","","Joel T. Mague; Jamin L. Krinsky","Synthetic and Structural Studies of the Coordination Behavior of 2-Pyridylbis(diphenylphosphino)methane","Inorganic Chemistry","2001","40","","1962","1971","10.1021/ic001266+","","","0.71073","MoKα","","0.1263","0.037","","","0.0868","0.1035","","","","","","0.988","","","","has coordinates","176467","2020-10-21","18:00:00","" "4327571","9.197","0.0006","16.752","0.0015","9.36","0.0007","90","","103.806","0.005","90","","1400.42","0.19","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","1,1,3,3-tetraphenyl-1,3-diphospha-2-(2-pyridyl)-4-keto-5- carboxymethylcyclopentadiene","","- C34 H27 N O3 P2 -","- C34 H27 N O3 P2 -","- C68 H54 N2 O6 P4 -","2","1","","Joel T. Mague; Jamin L. Krinsky","Synthetic and Structural Studies of the Coordination Behavior of 2-Pyridylbis(diphenylphosphino)methane","Inorganic Chemistry","2001","40","","1962","1971","10.1021/ic001266+","","","0.71073","MoKα","","0.0767","0.0387","","","0.068","0.0737","","","","","","0.822","","","","has coordinates","179378","2020-10-21","18:00:00","" "4327572","9.8996","0.0007","13.8066","0.0007","23.283","0.0013","90","","93.549","0.005","90","","3176.2","0.3","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Dicarbonyl(η^2^-maleic anhydride)(2-pyridylbis(diphenylphosphino)methane iron(0)","","- C36 H27 Fe N O5 P2 -","- C36 H27 Fe N O5 P2 -","- C144 H108 Fe4 N4 O20 P8 -","4","1","","Joel T. Mague; Jamin L. Krinsky","Synthetic and Structural Studies of the Coordination Behavior of 2-Pyridylbis(diphenylphosphino)methane","Inorganic Chemistry","2001","40","","1962","1971","10.1021/ic001266+","","","0.71073","MoKα","","0.142","0.037","","","0.0801","0.1002","","","","","","0.956","","","","has coordinates","179378","2020-10-21","18:00:00","" "4327573","9.2281","0.0012","9.304","0.0019","9.442","0.0013","114.054","0.014","93.112","0.011","104.44","0.014","705.7","0.2","293","2","293","2","","","","","","","","6","P 1","P 1","1","","Tricarbonyl(2-pyridylbis(diphenylphosphino)methane)iron(0)","","- C33 H25 Fe N O3 P2 -","- C33 H25 Fe N O3 P2 -","- C33 H25 Fe N O3 P2 -","1","1","","Joel T. Mague; Jamin L. Krinsky","Synthetic and Structural Studies of the Coordination Behavior of 2-Pyridylbis(diphenylphosphino)methane","Inorganic Chemistry","2001","40","","1962","1971","10.1021/ic001266+","","","0.71073","MoKα","","0.048","0.031","","","0.0761","0.0809","","","","","","1.064","","","","has coordinates","179378","2020-10-21","18:00:00","" "4327574","14.9925","0.0014","11.4067","0.0012","17.417","0.002","90","","105.39","0.009","90","","2871.8","0.5","293","2","293","2","","","","","","","","7","C 1 c 1","C -2yc","9","","Dichloro(methoxydiphenylphosphine)(2-pyridylmethyldiphenylphosphine)nickel(II)","","- C31 H29 Cl2 N Ni O P2 -","- C31 H29 Cl2 N Ni O P2 -","- C124 H116 Cl8 N4 Ni4 O4 P8 -","4","1","","Joel T. Mague; Jamin L. Krinsky","Synthetic and Structural Studies of the Coordination Behavior of 2-Pyridylbis(diphenylphosphino)methane","Inorganic Chemistry","2001","40","","1962","1971","10.1021/ic001266+","","","0.71073","MoKα","","0.0675","0.0375","","","0.0935","0.104","","","","","","1.118","","","","has coordinates","179378","2020-10-21","18:00:00","" "4327575","9.3775","0.0016","14.5589","0.0015","12.51","0.0015","90","","104.302","0.012","90","","1655","0.4","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","trans-Dichlorobis(2-pyridylmethyldiphenylphosphoryl)nickel(II)","","- C18 H16 Cl N Ni0.5 O P -","- C18 H16 Cl N Ni0.5 O P -","- C72 H64 Cl4 N4 Ni2 O4 P4 -","4","1","","Joel T. Mague; Jamin L. Krinsky","Synthetic and Structural Studies of the Coordination Behavior of 2-Pyridylbis(diphenylphosphino)methane","Inorganic Chemistry","2001","40","","1962","1971","10.1021/ic001266+","","","0.71073","MoKα","","0.1251","0.0366","","","0.0783","0.0988","","","","","","0.998","","","","has coordinates","176467","2020-10-21","18:00:00","" "4327576","18.0878","0.0011","12.8836","0.0009","18.4228","0.0017","90","","112.975","0.008","90","","3952.6","0.6","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Hydrido(η^2^-(2-pyridylbis(diphenylphosphino)methanido))triphenylphosphine platinum(II)","","- C48 H40 N P3 Pt -","- C48 H39 N P3 Pt -","- C192 H156 N4 P12 Pt4 -","4","1","","Joel T. Mague; Jamin L. Krinsky","Synthetic and Structural Studies of the Coordination Behavior of 2-Pyridylbis(diphenylphosphino)methane","Inorganic Chemistry","2001","40","","1962","1971","10.1021/ic001266+","","","0.71073","MoKα","","0.0688","0.0292","","","0.0727","0.0811","","","","","","1.029","","","","has coordinates","179378","2020-10-21","18:00:00","" "4327577","15.1837","0.001","21.329","0.002","18.365","0.003","90","","99.081","0.009","90","","5873","1.2","293","2","293","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","Hydrido(η^2^-(2-pyridylbis(diphenylphosphino)methanido)(η^3^-2-pyridyl bis(diphenylphosphino)methane)iridium(III) tetrafluoroborate diethyl ether solvate","","- C64 H60 B F4 Ir N2 O P4 -","- C64 H60 B F4 Ir N2 O P4 -","- C256 H240 B4 F16 Ir4 N8 O4 P16 -","4","1","","Joel T. Mague; Jamin L. Krinsky","Synthetic and Structural Studies of the Coordination Behavior of 2-Pyridylbis(diphenylphosphino)methane","Inorganic Chemistry","2001","40","","1962","1971","10.1021/ic001266+","","","0.71073","MoKα","","0.0933","0.033","","","0.0799","0.0919","","","","","","1.021","","","","has coordinates","179378","2020-10-21","18:00:00","" "4327578","22.809","0.004","13.199","0.003","15.552","0.004","90","","98.73","0.02","90","","4627.8","1.8","296.2","","","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C49 H36 Ag4 Cl4 O16 -","- C49 H36 Ag4 Cl4 O16 -","- C196 H144 Ag16 Cl16 O64 -","4","0.5","","Jian Chu Zhong; Megumu Munakata; Takayoshi Kuroda-Sowa; Masahiko Maekawa; Yusaku Suenaga; Hisashi Konaka","Spiral, Herringbone, and Triple-Decker Silver(I) Complexes of Benzopyrene Derivatives Assembled through η2-Coordination","Inorganic Chemistry","2001","40","","3191","3199","10.1021/ic001352+","","","0.7107","MoKα","","","0.0511","","","","0.1487","","","","","","1.027","","","","has coordinates","176467","2020-10-21","18:00:00","" "4327579","22.285","0.003","5.032","0.002","21.405","0.008","90","","93.703","0.005","90","","2395.3","1.3","200.2","","","","","","","","","","","6","P 1 2/c 1","-P 2yc","13","","","","- C42 H30 Ag4 F12 O12 S4 -","- C42 H30 Ag4 F12 O12 S4 -","- C84 H60 Ag8 F24 O24 S8 -","2","0.5","","Jian Chu Zhong; Megumu Munakata; Takayoshi Kuroda-Sowa; Masahiko Maekawa; Yusaku Suenaga; Hisashi Konaka","Spiral, Herringbone, and Triple-Decker Silver(I) Complexes of Benzopyrene Derivatives Assembled through η2-Coordination","Inorganic Chemistry","2001","40","","3191","3199","10.1021/ic001352+","","","0.7107","MoKα","","","0.0607","","","","0.1205","","","","","","1.136","","","","has coordinates","176467","2020-10-21","18:00:00","" "4327580","11.8376","0.0007","12.547","0.001","13.151","0.002","91.438","0.002","103.947","0.001","109.705","0.0009","1772.5","0.3","296.2","","","","","","","","","","","5","P -1","-P 1","2","","","","- C88 H58 Ag4 Cl4 O16 -","- C88 H58 Ag4 Cl4 O16 -","- C88 H58 Ag4 Cl4 O16 -","1","0.5","","Jian Chu Zhong; Megumu Munakata; Takayoshi Kuroda-Sowa; Masahiko Maekawa; Yusaku Suenaga; Hisashi Konaka","Spiral, Herringbone, and Triple-Decker Silver(I) Complexes of Benzopyrene Derivatives Assembled through η2-Coordination","Inorganic Chemistry","2001","40","","3191","3199","10.1021/ic001352+","","","0.7107","MoKα","","","0.0425","","","","0.1117","","","","","","1.048","","","","has coordinates","176467","2020-10-21","18:00:00","" "4327581","22.719","0.008","19.648","0.007","14.758","0.005","96.3","0.05","82.48","0.05","107.93","0.05","6197","4","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C72 H150 Be3 Cl2 Co4 O45 P12 -","- C70 Be3 Cl2 Co4 O45 P12 -","- C140 Be6 Cl4 Co8 O90 P24 -","2","1","","Pierluigi Barbaro; Franco Cecconi; Dainis Dakternieks; Sixto Dominguez; Andrew Duthie; Carlo A. Ghilardi; Stefano Midollini; Annabella Orlandini; Alberto Vacca","Beryllium(II) Complexes of the Kläui Tripodal Ligand Cyclopentadienyltris(diethylphosphito-P)cobaltate(-)","Inorganic Chemistry","2001","40","","2725","2729","10.1021/ic010021+","","","1.5418","CuKα","","0.2029","0.1744","","0.4087","0.3882","","","","2.979","3.439","3.439","","","","","has coordinates","179378","2020-10-21","18:00:00","" "4327582","20.338","0.002","10.3318","0.001","19.6442","0.0018","90","","111.079","0.002","90","","3851.6","0.6","173","2","173","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","d220ka","","","- C32 H44 B2 F8 Fe N12 -","- C32 H44 B2 F8 Fe N12 -","- C128 H176 B8 F32 Fe4 N48 -","4","0.5","","Daniel L. Reger; Christine A. Little; Victor G. Young; Maren Pink","Variable-Temperature X-ray Structural Investigation of {Fe[HC(3,5-Me2pz)3]2}(BF4)2 (pz = Pyrazolyl Ring): Observation of a Thermally Induced Spin State Change from All High Spin to an Equal High Spin-Low Spin Mixture, Concomitant with the Onset of Nonmerohedral Twinning","Inorganic Chemistry","2001","40","","2870","2874","10.1021/ic010056+","","","0.71073","MoKα","","0.0789","0.0453","","","0.0994","0.1182","","","","","","1.059","","","","has coordinates","179378","2020-10-21","18:00:00","" "4327583","20.348","0.002","10.3372","0.0007","19.661","0.001","90","","111.093","0.001","90","","3858.4","0.5","220","2","220","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","00220","","","- C32 H44 B2 F8 Fe N12 -","- C32 H44 B2 F8 Fe N12 -","- C128 H176 B8 F32 Fe4 N48 -","4","0.5","","Daniel L. Reger; Christine A. Little; Victor G. Young; Maren Pink","Variable-Temperature X-ray Structural Investigation of {Fe[HC(3,5-Me2pz)3]2}(BF4)2 (pz = Pyrazolyl Ring): Observation of a Thermally Induced Spin State Change from All High Spin to an Equal High Spin-Low Spin Mixture, Concomitant with the Onset of Nonmerohedral Twinning","Inorganic Chemistry","2001","40","","2870","2874","10.1021/ic010056+","","","0.71073","MoKα","","0.0491","0.037","","","0.1053","0.1125","","","","","","1.069","","","","has coordinates","179378","2020-10-21","18:00:00","" "4327584","20.354","0.003","10.3418","0.0014","19.671","0.003","90","","111.087","0.002","90","","3863.4","1","220","2","220","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C32 H44 B2 F8 Fe N12 -","- C32 H44 B2 F8 Fe N12 -","- C128 H176 B8 F32 Fe4 N48 -","4","0.5","","Daniel L. Reger; Christine A. Little; Victor G. Young; Maren Pink","Variable-Temperature X-ray Structural Investigation of {Fe[HC(3,5-Me2pz)3]2}(BF4)2 (pz = Pyrazolyl Ring): Observation of a Thermally Induced Spin State Change from All High Spin to an Equal High Spin-Low Spin Mixture, Concomitant with the Onset of Nonmerohedral Twinning","Inorganic Chemistry","2001","40","","2870","2874","10.1021/ic010056+","","","0.71073","MoKα","","0.0619","0.0425","","","0.111","0.1195","","","","","","1.098","","","","has coordinates","179378","2020-10-21","18:00:00","" "4327585","10.287","0.002","11.355","0.003","18.949","0.004","90.852","0.004","105.245","0.004","116.304","0.004","1892.2","0.7","173","1","173","1","","","","","","","","6","P -1","-P 1","2","00110aaa","","","- C32 H44 B2 F8 Fe N12 -","- C32 H44 B2 F8 Fe N12 -","- C64 H88 B4 F16 Fe2 N24 -","2","1","","Daniel L. Reger; Christine A. Little; Victor G. Young; Maren Pink","Variable-Temperature X-ray Structural Investigation of {Fe[HC(3,5-Me2pz)3]2}(BF4)2 (pz = Pyrazolyl Ring): Observation of a Thermally Induced Spin State Change from All High Spin to an Equal High Spin-Low Spin Mixture, Concomitant with the Onset of Nonmerohedral Twinning","Inorganic Chemistry","2001","40","","2870","2874","10.1021/ic010056+","","","0.71073","MoKα","","0.0791","0.0454","","","0.0957","0.1048","","","","","","0.978","","","","has coordinates","179378","2020-10-21","18:00:00","" "4327586","10.262","0.003","11.335","0.003","18.87","0.006","90.841","0.005","105.275","0.005","116.183","0.005","1878.3","1","84","2","84","1","","","","","","","","6","P -1","-P 1","2","84KDAAA","","","- C32 H44 B2 F8 Fe N12 -","- C32 H44 B2 F8 Fe N12 -","- C64 H88 B4 F16 Fe2 N24 -","2","1","","Daniel L. Reger; Christine A. Little; Victor G. Young; Maren Pink","Variable-Temperature X-ray Structural Investigation of {Fe[HC(3,5-Me2pz)3]2}(BF4)2 (pz = Pyrazolyl Ring): Observation of a Thermally Induced Spin State Change from All High Spin to an Equal High Spin-Low Spin Mixture, Concomitant with the Onset of Nonmerohedral Twinning","Inorganic Chemistry","2001","40","","2870","2874","10.1021/ic010056+","","","0.71073","MoKα","","0.1046","0.0573","","","0.1441","0.1676","","","","","","1.01","","","","has coordinates","179378","2020-10-21","18:00:00","" "4327587","19.569","0.0004","17.107","0.0006","15.916","0.0006","90","","90","","90","","5328.1","0.3","173","","173","","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C129 H106 Cl6 Co2 N12 O -","- C129 H98 Cl6 Co2 N12 O -","- C258 H196 Cl12 Co4 N24 O2 -","2","0.5","","Roger Guilard; Claude P. Gros; Frédéric Bolze; François Jérôme; Zhongping Ou; Jianguo Shao; Jean Fischer; Raymond Weiss; Karl M. Kadish","Alkyl and Aryl Substituted Corroles. 1. Synthesis and Characterization of Free Base and Cobalt Containing Derivatives. X-ray Structure of (Me4Ph5Cor)Co(py)2","Inorganic Chemistry","2001","40","","4845","4855","10.1021/ic010177+","","","0.71073","Mo-Kα","","0.111","0.069","","0.11","","0.083","","","1.92","","","1.488","","","","has coordinates","176432","2020-10-21","18:00:00","" "4327588","7.1712","0.0001","4.3946","0.0001","7.2362","0.0001","90","","104.864","0.001","90","","220.415","0.007","295","","295","","","","","","","","","2","C 1 2/c 1","-C 2yc","15","","","","- Ba N2 -","- Ba N2 -","- Ba4 N8 -","4","0.5","","Grigori V. Vajenine; Gudrun Auffermann; Yurii Prots; Walter Schnelle; Reinhard K. Kremer; Arndt Simon; Rüdiger Kniep","Preparation, Crystal Structure, and Properties of Barium Pernitride, BaN2","Inorganic Chemistry","2001","40","","4866","4870","10.1021/ic010263+","powder diffraction","","1.5406","X-ray,CuKalpha1","","","","","","","","","","","","","","","","","has coordinates","179378","2020-10-21","18:00:00","" "4327589","7.1745","0.0001","4.3963","0.0001","7.2393","0.0001","90","","104.876","0.001","90","","220.684","0.007","295","","295","","","","","","","","","2","C 1 2/c 1","-C 2yc","15","","","","- Ba N2 -","- Ba N2 -","- Ba4 N8 -","4","0.5","","Grigori V. Vajenine; Gudrun Auffermann; Yurii Prots; Walter Schnelle; Reinhard K. Kremer; Arndt Simon; Rüdiger Kniep","Preparation, Crystal Structure, and Properties of Barium Pernitride, BaN2","Inorganic Chemistry","2001","40","","4866","4870","10.1021/ic010263+","powder diffraction","neutron","","neutron","","","","","","","","","","","","","","","","","has coordinates","179378","2020-10-21","18:00:00","" "4327590","7.75","0.009","20.931","0.009","13.286","0.006","90","","104.02","","90","","2091","3","293","2","293","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C15 H31 F6 N4 Ni O2 P -","- C15 H31 F6 N4 Ni O2 P -","- C60 H124 F24 N16 Ni4 O8 P4 -","4","1","","M. Dolores Santana; Gabriel García; José Pérez; Elíes Molins; Gregorio López","Mononuclear Hydroxamate Five-Coordinate Nickel(II) Complexes: Structural and Spectroscopic Characterization","Inorganic Chemistry","2001","40","","5701","5703","10.1021/ic010298+","","","0.71073","MoKα","","0.0712","0.0429","","","0.1136","0.1287","","","","","","0.984","","","","has coordinates,has disorder","179378","2020-10-21","18:00:00","" "4327591","12.828","0.003","23.793","0.005","10.912","0.002","90","","112.22","0.03","90","","3083.2","1.3","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","TpPhe,MeZnSH","Hydrotris(5-methyl-3-phenyl-pyrazol-1-yl)borato-zinc-hydrogensulfide","","- C32 H32 B N7 S Zn -","- C32 H32 B N7 S Zn -","- C128 H128 B4 N28 S4 Zn4 -","4","1","","Michael Rombach; Heinrich Vahrenkamp","Pyrazolylborate-Zinc-Hydrosulfide Complexes and Their Reactions","Inorganic Chemistry","2001","40","","6144","6150","10.1021/ic010510+","","","0.71073","MoKα","","0.128","0.0544","","","0.1129","0.1395","","","","","","1.041","","","","has coordinates","179378","2020-10-21","18:00:00","" "4327592","10.902","0.002","15.526","0.003","19.945","0.004","90","","101.92","0.03","90","","3303.2","1.2","200","2","200","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","TpPyr,MeZnSH","Hydrotris(5-methyl-3-3'pyridyl-pyrazol-1-yl)borato-zinc-hydrogensulfide","","- C31 H32 B N11 S Zn -","- C31 H32 B N11 S Zn -","- C124 H128 B4 N44 S4 Zn4 -","4","1","","Michael Rombach; Heinrich Vahrenkamp","Pyrazolylborate-Zinc-Hydrosulfide Complexes and Their Reactions","Inorganic Chemistry","2001","40","","6144","6150","10.1021/ic010510+","","","0.71073","MoKα","","0.0902","0.068","","","0.195","0.2108","","","","","","1.054","","","","has coordinates","179378","2020-10-21","18:00:00","" "4327593","11.09","0.002","16.37","0.003","16.66","0.003","90","","91.86","0.03","90","","3022.9","1","200","2","200","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","LPic,MeZnSH","Hydrotris(5-methyl-3-3'(4-methyl)-pyridyl-pyrazol-1- yl)borato-zink-hydrogensulfide'","","- C30 H32 B N9 S Zn -","- C30 H32 B N9 S Zn -","- C120 H128 B4 N36 S4 Zn4 -","4","1","","Michael Rombach; Heinrich Vahrenkamp","Pyrazolylborate-Zinc-Hydrosulfide Complexes and Their Reactions","Inorganic Chemistry","2001","40","","6144","6150","10.1021/ic010510+","","","0.71073","MoKα","","0.0737","0.0544","","","0.1562","0.2226","","","","","","1.078","","","","has coordinates","179378","2020-10-21","18:00:00","" "4327594","19.6544","0.0008","16.2385","0.0007","28.2153","0.0011","90","","97.788","0.001","90","","8922.1","0.6","180","2","180","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","TpPic,MeZnSH 2 CF3(C(OH)2)CF3","Hydrotris(5-methyl-3-3'-(4-methyl)-pyridyl-pyrazol-1- yl)borato-zink-hydrogensulfide 2 Hexafluoro-2,2-propandiole'","","- C74 H75 B2 F24 N19 O8 S2 Zn2 -","- C74 H75 B2 F24 N19 O8 S2 Zn2 -","- C296 H300 B8 F96 N76 O32 S8 Zn8 -","4","1","","Michael Rombach; Heinrich Vahrenkamp","Pyrazolylborate-Zinc-Hydrosulfide Complexes and Their Reactions","Inorganic Chemistry","2001","40","","6144","6150","10.1021/ic010510+","","","0.71073","MoKα","","0.0691","0.0432","","","0.1152","0.1331","","","","","","1.029","","","","has coordinates","179378","2020-10-21","18:00:00","" "4327595","12.135","0.002","20.655","0.004","15.792","0.003","90","","97.29","0.03","90","","3926.2","1.3","293","2","293","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","LPic,MeZn(CF3COCHCOCF3)","Hydrotris(5-methyl-3-3'-(4-methyl)-pyridyl-pyrazol-1- yl)borato-zink-hexafloracetylacetonate","","- C37 H35 B F6 N10 O2 Zn -","- C37 H35 B F6 N10 O2 Zn -","- C148 H140 B4 F24 N40 O8 Zn4 -","4","1","","Michael Rombach; Heinrich Vahrenkamp","Pyrazolylborate-Zinc-Hydrosulfide Complexes and Their Reactions","Inorganic Chemistry","2001","40","","6144","6150","10.1021/ic010510+","","","0.71073","MoKα","","0.0998","0.0514","","","0.1315","0.1564","","","","","","1.049","","","","has coordinates","211413","2020-10-21","18:00:00","" "4327596","12.463","0.002","13.271","0.002","17.795","0.002","95.48","0.01","92.19","0.01","115.06","0.01","2643.9","0.7","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","Meso-[Ru2(dppcb)(bipy)4](PF6)4","","- C96.32 H84.64 Cl8.64 F24 N8 P8 Ru2 -","- C96.32 H76 Cl8.64 F24 N8 P8 Ru2 -","- C96.32 H76 Cl8.64 F24 N8 P8 Ru2 -","1","0.5","","Rainer Haid; René Gutmann; Thomas Stampfl; Chistoph Langes; Georg Czermak; Holger Kopacka; Karl-Hans Ongania; Peter Brüggeller","Unexpected Photochemical Reactivity of Ruthenium(II) Polypyridine Complexes Induced by a Bis(bidentate) Phosphine","Inorganic Chemistry","2001","40","","7099","7104","10.1021/ic010545+","","","0.71073","MoKα","","","0.0477","","","0.1096","","","","","","","0.982","","","","has coordinates","176467","2020-10-21","18:00:00","" "4327597","13.022","0.0006","14.499","0.0006","27.283","0.001","76.251","0.003","86.73","0.002","77.422","0.002","4883.4","0.4","213","2","213","2","","","","","","","","7","P -1","-P 1","2","","Rac-[Ru2(dppcb)(bipy)4](PF6)4","","- C94 H80 Cl2 F24 N8 P8 Ru2 -","- C93.95 H76 Cl3.95 F24 N8 P8 Ru2 -","- C187.9 H152 Cl7.9 F48 N16 P16 Ru4 -","2","1","","Rainer Haid; René Gutmann; Thomas Stampfl; Chistoph Langes; Georg Czermak; Holger Kopacka; Karl-Hans Ongania; Peter Brüggeller","Unexpected Photochemical Reactivity of Ruthenium(II) Polypyridine Complexes Induced by a Bis(bidentate) Phosphine","Inorganic Chemistry","2001","40","","7099","7104","10.1021/ic010545+","","","0.71073","MoKα","","","0.0586","","","0.1419","","","","","","","1.038","","","","has coordinates","176467","2020-10-21","18:00:00","" "4327598","12.965","0.004","13.044","0.004","16.528","0.004","68.71","0.01","79.91","0.01","71.95","0.01","2470","1.2","213","2","213","2","","","","","","","","7","P -1","-P 1","2","","[Ru2(dppcb)(bipy)2(MeCN)4](PF6)4","","- C83.4 H78.8 Cl6.8 F24 N8 P8 Ru2 -","- C83.4 H76 Cl6.8 F24 N8 P8 Ru2 -","- C83.4 H76 Cl6.8 F24 N8 P8 Ru2 -","1","0.5","","Rainer Haid; René Gutmann; Thomas Stampfl; Chistoph Langes; Georg Czermak; Holger Kopacka; Karl-Hans Ongania; Peter Brüggeller","Unexpected Photochemical Reactivity of Ruthenium(II) Polypyridine Complexes Induced by a Bis(bidentate) Phosphine","Inorganic Chemistry","2001","40","","7099","7104","10.1021/ic010545+","","","0.71073","MoKα","","","0.0492","","","0.1283","","","","","","","1.048","","","","has coordinates","176467","2020-10-21","18:00:00","" "4327599","8.1463","0.0006","8.8814","0.0007","14.8","0.0012","85.774","0.002","82.272","0.001","71.784","0.001","1007.32","0.14","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","","","- C21 H20 N4 O7 -","- C21 H20 N4 O7 -","- C42 H40 N8 O14 -","2","1","","Yann Bretonnière; Marinella Mazzanti; Jacques Pécaut; Frank A. Dunand; André E. Merbach","Solid-State and Solution Properties of the Lanthanide Complexes of a New Heptadentate Tripodal Ligand: A Route to Gadolinium Complexes with an Improved Relaxation Efficiency","Inorganic Chemistry","2001","40","","6737","6745","10.1021/ic010591+","","","0.71073","MoKα","","0.0666","0.0466","","","0.1212","0.1281","","","","","","0.964","","","","has coordinates","179378","2020-10-21","18:00:00","" "4327600","14.4473","0.0016","15.02","0.003","23.954","0.002","90","","101.01","0.009","90","","5102.3","1.3","193","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C84 H112 La4 N16 O50 -","- C84 H60 La4 N16 O50 -","- C168 H120 La8 N32 O100 -","2","0.5","","Yann Bretonnière; Marinella Mazzanti; Jacques Pécaut; Frank A. Dunand; André E. Merbach","Solid-State and Solution Properties of the Lanthanide Complexes of a New Heptadentate Tripodal Ligand: A Route to Gadolinium Complexes with an Improved Relaxation Efficiency","Inorganic Chemistry","2001","40","","6737","6745","10.1021/ic010591+","","","0.71073","MoKα","","0.1034","0.0497","","","0.1228","0.1399","","","","","","0.961","","","","has coordinates","179379","2020-10-21","18:00:00","" "4327601","22.9762","0.001","13.0157","0.0005","15.4341","0.0006","90","","101.724","0.001","90","","4519.3","0.3","193","2","193","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C42 H44 N8 Nd2 O19 -","- C42 H30 N8 Nd2 O19 -","- C168 H120 N32 Nd8 O76 -","4","1","","Yann Bretonnière; Marinella Mazzanti; Jacques Pécaut; Frank A. Dunand; André E. Merbach","Solid-State and Solution Properties of the Lanthanide Complexes of a New Heptadentate Tripodal Ligand: A Route to Gadolinium Complexes with an Improved Relaxation Efficiency","Inorganic Chemistry","2001","40","","6737","6745","10.1021/ic010591+","","","0.71073","MoKα","","0.0557","0.0318","","","0.0708","0.0867","","","","","","0.985","","","","has coordinates","179379","2020-10-21","18:00:00","" "4327602","13.005","0.0009","15.5912","0.0011","23.5684","0.0017","90","","90","","90","","4778.8","0.6","298","2","298","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C21 H24 Eu N4 O10.5 -","- C21 H24 Eu N4 O10.5 -","- C168 H192 Eu8 N32 O84 -","8","1","","Yann Bretonnière; Marinella Mazzanti; Jacques Pécaut; Frank A. Dunand; André E. Merbach","Solid-State and Solution Properties of the Lanthanide Complexes of a New Heptadentate Tripodal Ligand: A Route to Gadolinium Complexes with an Improved Relaxation Efficiency","Inorganic Chemistry","2001","40","","6737","6745","10.1021/ic010591+","","","0.71073","MoKα","","0.0387","0.024","","","0.0613","0.073","","","","","","1.025","","","","has coordinates","176467","2020-10-21","18:00:00","" "4327603","12.9206","0.0005","15.5322","0.0007","23.3491","0.001","90","","90","","90","","4685.8","0.3","193","2","223","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C42 H48 N8 O21 Tb2 -","- C42 H48 N8 O21 Tb2 -","- C168 H192 N32 O84 Tb8 -","4","0.5","","Yann Bretonnière; Marinella Mazzanti; Jacques Pécaut; Frank A. Dunand; André E. Merbach","Solid-State and Solution Properties of the Lanthanide Complexes of a New Heptadentate Tripodal Ligand: A Route to Gadolinium Complexes with an Improved Relaxation Efficiency","Inorganic Chemistry","2001","40","","6737","6745","10.1021/ic010591+","","","0.71073","MoKα","","0.0443","0.0267","","","0.0605","0.0737","","","","","","0.992","","","","has coordinates","179379","2020-10-21","18:00:00","" "4327604","12.9007","0.0016","15.519","0.0019","23.378","0.003","90","","90","","90","","4680.4","1","193","2","193","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C42 H48 Ho2 N8 O21 -","- C42 H48 Ho2 N8 O21 -","- C168 H192 Ho8 N32 O84 -","4","0.5","","Yann Bretonnière; Marinella Mazzanti; Jacques Pécaut; Frank A. Dunand; André E. Merbach","Solid-State and Solution Properties of the Lanthanide Complexes of a New Heptadentate Tripodal Ligand: A Route to Gadolinium Complexes with an Improved Relaxation Efficiency","Inorganic Chemistry","2001","40","","6737","6745","10.1021/ic010591+","","","0.71073","MoKα","","0.0423","0.0268","","","0.0595","0.0614","","","","","","1.085","","","","has coordinates","179379","2020-10-21","18:00:00","" "4327605","12.8585","0.0007","15.4897","0.0008","23.3167","0.0012","90","","90","","90","","4644.1","0.4","193","2","193","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C42 H48 N8 O21 Tm2 -","- C42 H48 N8 O21 Tm2 -","- C168 H192 N32 O84 Tm8 -","4","0.5","","Yann Bretonnière; Marinella Mazzanti; Jacques Pécaut; Frank A. Dunand; André E. Merbach","Solid-State and Solution Properties of the Lanthanide Complexes of a New Heptadentate Tripodal Ligand: A Route to Gadolinium Complexes with an Improved Relaxation Efficiency","Inorganic Chemistry","2001","40","","6737","6745","10.1021/ic010591+","","","0.71073","MoKα","","0.057","0.0256","","","0.0562","0.0751","","","","","","0.943","","","","has coordinates","179379","2020-10-21","18:00:00","" "4327606","12.8499","0.0007","15.4787","0.0009","23.307","0.0013","90","","90","","90","","4635.8","0.5","298","2","193","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C42 H48 N8 O21 Yb2 -","- C42 H48 N8 O21 Yb2 -","- C168 H192 N32 O84 Yb8 -","4","0.5","","Yann Bretonnière; Marinella Mazzanti; Jacques Pécaut; Frank A. Dunand; André E. Merbach","Solid-State and Solution Properties of the Lanthanide Complexes of a New Heptadentate Tripodal Ligand: A Route to Gadolinium Complexes with an Improved Relaxation Efficiency","Inorganic Chemistry","2001","40","","6737","6745","10.1021/ic010591+","","","0.71073","MoKα","","0.0678","0.0292","","","0.0556","0.0592","","","","","","0.848","","","","has coordinates","179379","2020-10-21","18:00:00","" "4327607","10.3001","0.0004","16.2687","0.0007","14.682","0.0006","90","","102.299","0.001","90","","2403.79","0.17","193","2","193","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C21 H25 Lu N4 O11 -","- C21 H25 Lu N4 O11 -","- C84 H100 Lu4 N16 O44 -","4","1","","Yann Bretonnière; Marinella Mazzanti; Jacques Pécaut; Frank A. Dunand; André E. Merbach","Solid-State and Solution Properties of the Lanthanide Complexes of a New Heptadentate Tripodal Ligand: A Route to Gadolinium Complexes with an Improved Relaxation Efficiency","Inorganic Chemistry","2001","40","","6737","6745","10.1021/ic010591+","","","0.71073","MoKα","","0.0393","0.0252","","","0.0531","0.055","","","","","","0.947","","","","has coordinates","179379","2020-10-21","18:00:00","" "4327608","13.0347","0.0015","15.6221","0.0017","23.506","0.004","90","","90","","90","","4786.5","1.1","298","2","298","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C21 H24 Gd N4 O10.5 -","- C21 H24 Gd N4 O10.5 -","- C168 H192 Gd8 N32 O84 -","8","1","","Yann Bretonnière; Marinella Mazzanti; Jacques Pécaut; Frank A. Dunand; André E. Merbach","Solid-State and Solution Properties of the Lanthanide Complexes of a New Heptadentate Tripodal Ligand: A Route to Gadolinium Complexes with an Improved Relaxation Efficiency","Inorganic Chemistry","2001","40","","6737","6745","10.1021/ic010591+","","","0.71073","MoKα","","0.0424","0.0234","","","0.0496","0.0526","","","","","","0.947","","","","has coordinates","176467","2020-10-21","18:00:00","" "4327609","14.26","0.003","14.2604","","14.618","0.005","90","","90","","90","","2972.6","1.2","213.2","","213.2","","","","","","","","","5","P 42/n :2","-P 4bc","86","","","","- Cs F30 O6 Sb Te6 -","- Cs F30 O6 Sb0.5 Te6 -","- Cs4 F120 O24 Sb2 Te24 -","4","0.5","","T. Stanley Cameron; Ingo Krossing; Jack Passmore","The First Simple, Donor-Free Salt of the Sb(OTeF5)6- Anion: Synthesis, Structure, Characterization, and Thermochemistry of Cs[Sb(OTeF5)6]","Inorganic Chemistry","2001","40","","4488","4490","10.1021/ic010217+","","","0.7107","MoKα","","0.0592","0.0582","","0.051","","0.051","","","1.766","","","1.77","","","","has coordinates,has Fobs","176467","2020-10-21","18:00:00","" "4331413","4.318","","7.447","","8.099","","90","","93.33","","90","","259.993","","","","","","","","","","","","","3","P 1 21/m 1","-P 2yb","11","","","","- Au Cu Se4 -","- Au Cu Se4 -","- Au2 Cu2 Se8 -","2","0.5","","Park, Y.; Kanatzidis, M.G.","Au Cu Se4: a mixed polychalcogenide with (Se3)(2-) and Se(2-) anions","Inorganic Chemistry","2001","40","","5913","5916","10.1021/ic001471p","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00","" "4340500","22.017","0.004","7.356","0.001","23.263","0.004","90","","114.744","0.003","90","","3421.7","1","173","2","173","2","","","","","","","","7","P 1 2/n 1","-P 2yac","13","00344","","","- C26 H40 Cl2 Cu2 F12 N6 P2 -","- C26 H40 Cl2 Cu2 F12 N6 P2 -","- C104 H160 Cl8 Cu8 F48 N24 P8 -","4","1","","Halfen, Jason A.; Fox, Derek C.; Mehn, Mark P.; Que, Lawrence","Enhanced Reactivity of Copper Catalysts for Olefin Aziridination by Manipulation of Ligand Denticity","Inorganic Chemistry","2001","40","20","5060","","10.1021/ic015551k","","","0.71073","MoKα","","0.0991","0.0521","","","0.1073","0.1217","","","","","","0.98","","","","has coordinates","179508","2020-10-21","18:00:00","" "4340501","7.306","0.001","10.276","0.001","14.324","0.002","90.84","0.01","95.74","0.02","94.26","0.01","1066.8","0.2","293","2","293","2","","","","","","","","7","P -1","-P 1","2","0046","","","- C15 H21 Cu F9 N3 O2 P -","- C15 H21 Cu F9 N3 O2 P -","- C30 H42 Cu2 F18 N6 O4 P2 -","2","1","","Halfen, Jason A.; Fox, Derek C.; Mehn, Mark P.; Que, Lawrence","Enhanced Reactivity of Copper Catalysts for Olefin Aziridination by Manipulation of Ligand Denticity","Inorganic Chemistry","2001","40","20","5060","","10.1021/ic015551k","","","0.71073","MoKα","","0.1265","0.0562","","","0.1411","0.1701","","","","","","1.021","","","","has coordinates,has disorder","179508","2020-10-21","18:00:00","" "4343705","12.013","","14.5747","","27.134","","90","","90","","90","","4750.78","","","","","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","Cs2 Th2 (P2 Se9) (Se2)2","","- Cs2 P2 Se13 Th2 -","- Cs2 P2 Se13 Th2 -","- Cs16 P16 Se104 Th16 -","8","1","","Briggs Piccoli, P.M.; Abney, K.D.; Dorhout, P.K.; Schoonover, J.D.","Synthesis, structure, and properties of Cs4 Th4 P4 Se26: a quaternary thorium selenophosphate containing the (P2 Se9)(6-) anion","Inorganic Chemistry","2001","40","","4871","4875","","","","","","","","","","","","","","","","","","","","","","has coordinates","146751","2020-10-21","18:00:00","" "4343707","9.951","","17.137","","19.64","","90","","104.26","","90","","3246.02","","","","","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","K6 (Tl2 Sb3)","","- K6 Sb3 Tl2 -","- K6 Sb3 Tl2 -","- K48 Sb24 Tl16 -","8","1","","Chi Lisheng; Corbett, J.D.","K6 Tl2 Sb3, a Zintl phase with a novel heteroatomic (1-infty)(Tl4 Sb6)(12-) chain","Inorganic Chemistry","2001","40","","2705","2708","","","","","","","","","","","","","","","","","","","","","","has coordinates","146817","2020-10-21","18:00:00","" "4343708","10.036","","8.932","","11.294","","90","","100.57","","90","","995.233","","","","","","","","","","","","","3","I 1 2/a 1","-I 2ya","15","","(H2 Ga) H2 (B H2)","","- B Ga H6 -","- B Ga H6 -","- B12 Ga12 H72 -","12","1.5","","Downs, A.J.; Greene, T.M.; Johnsen, E.; Morrison, C.A.; Brain, P.T.; Parsons, S.; Mills, I.M.; Rankin, D.W.H.; Aarset, K.; Pulham, C.R.; Page, E.M.; Rice, D.A.","Structure of the gaseous molecule H2 Ga (mue-H)2 B H2 as as determined by vibrational, electron diffraction, and ab initio studies, and structure of the crystalline solid at 110 K as determined by X-ray diffraction","Inorganic Chemistry","2001","40","","3484","3497","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "4343711","8.7905","","8.7905","","34.981","","90","","90","","120","","2340.94","","","","","","","","","","","","","4","R -3 :H","-R 3","148","","Sr6 V9 S22 O2","","- O2 S22 Sr6 V9 -","- O2 S22 Sr6 V9 -","- O6 S66 Sr18 V27 -","3","0.166667","","Gourdon, O.; Evain, M.; Brec, R.; Jobic, S.; Koo, H.-J.; Whangbo Myunghwan; Corraze, B.; Chauvet, O.","On the origin of the sqrt(7) X sqrt(7) superstructure and the anomalous magnetic and transport properties of the layered compound Sr6 V9 S22 O2","Inorganic Chemistry","2001","40","","2898","2904","","","","","","","","","","","","","","","","","","","","","","has coordinates","147262","2020-10-21","18:00:00","" "4343719","6.9725","","5.6713","","4.6653","","90","","107.702","","90","","175.746","","","","","","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","K (S O2 F)","","- F K O2 S -","- F K O2 S -","- F2 K2 O4 S2 -","2","0.5","","Kessler, U.; van Wuellen, L.; Jansen, M.","Structure of the fluorosulfite anion: rotational disorder of (S O2 F)(-) in the alkali metal fluorosulfites and crystal structures of alpha- and beta-(Cs S O2 F)","Inorganic Chemistry","2001","40","","7040","7046","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "4343720","7.116","","5.846","","4.8139","","90","","106.88","","90","","191.631","","","","","","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","Rb (S O2 F)","","- F O2 Rb S -","- F O2 Rb S -","- F2 O4 Rb2 S2 -","2","0.5","","Kessler, U.; van Wuellen, L.; Jansen, M.","Structure of the fluorosulfite anion: rotational disorder of (S O2 F)(-) in the alkali metal fluorosulfites and crystal structures of alpha- and beta-(Cs S O2 F)","Inorganic Chemistry","2001","40","","7040","7046","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "4343721","7.9098","","6.6607","","7.9893","","90","","90","","90","","420.915","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","Cs (S O2 F)","","- Cs F O2 S -","- Cs F O2 S -","- Cs4 F4 O8 S4 -","4","0.5","","Kessler, U.; Jansen, M.; van Wuellen, L.","Structure of the fluorosulfite anion: rotational disorder of (S O2 F)(-) in the alkali metal fluorosulfites and crystal structures of alpha- and beta-(Cs S O2 F)","Inorganic Chemistry","2001","40","","7040","7046","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "4343722","6.5922","","6.5922","","8.005","","90","","90","","120","","301.268","","","","","","","","","","","","","4","R 3 m :H","R 3 -2""","160","","Cs (S O2 F)","","- Cs F O2 S -","- Cs F0.999 O2.001 S -","- Cs3 F2.997 O6.003 S3 -","3","0.166667","","Kessler, U.; van Wuellen, L.; Jansen, M.","Structure of the fluorosulfite anion: rotational disorder of (S O2 F)(-) in the alkali metal fluorosulfites and crystal structures of alpha- and beta-(Cs S O2 F)","Inorganic Chemistry","2001","40","","7040","7046","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "4343723","7.4947","","5.4334","","9.5791","","90","","90","","90","","390.077","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","Eu2 Pd D4","","- D4 Eu2 Pd -","- D4 Eu2 Pd -","- D16 Eu8 Pd4 -","4","0.5","","Kohlmann, H.; Fischer, H.E.; Yvon, K.","Europium palladium hydrides","Inorganic Chemistry","2001","40","","2608","2613","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "4343724","3.8001","","3.8001","","3.8001","","90","","90","","90","","54.876","","","","","","","","","","","","","3","P m -3 m","-P 4 2 3","221","","Eu Pd D3","","- D3 Eu Pd -","- D3 Eu Pd -","- D3 Eu Pd -","1","0.0208333","","Kohlmann, H.; Yvon, K.; Fischer, H.E.","Europium palladium hydrides","Inorganic Chemistry","2001","40","","2608","2613","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "4344518","10.0431","","10.0431","","2.5946","","90","","90","","120","","226.64","","","","","","","","","","","","","3","R -3 m :H","-R 3 2""","166","","Co0.143 Rh0.857 O3","","- Co0.143 O3 Rh0.857 -","- Co0.1425 O3 Rh0.857 -","- Co0.855 O18 Rh5.142 -","6","0.166667","","zur Loye, H.C.; Darriet, J.; Smith, M.D.; Stitzer, K.E.; El Abed, A.","Observation of a large magnetic anisotropy in the new 2H-perovskiterelated oxide Ba8 Co Rh6 O21: magnetic measurements onaligned single crystals","Inorganic Chemistry","2001","40","","5152","5156","","","","","","","","","","","","","","","","","","","","","","has coordinates","173371","2020-10-21","18:00:00","" "4505843","6.499","0.003","12.666","0.004","7.348","0.003","90","","115.94","0.03","90","","543.9","0.4","293","2","293","2","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","fac-(diethylenetriamine)tricyanocobalt(III)","","- C7 H13 Co N6 -","- C7 H13 Co N6 -","- C14 H26 Co2 N12 -","2","0.5","","Chun, Hyungphil; Bernal, Ivan","Crystal Structures of Neutral Cobalt(III) Complexes: Common Hydrogen-Bonding Patterns Observed in Compounds of Different Molecular Structures","Crystal Growth & Design","2001","1","2","143","","10.1021/cg000003n","","","0.71073","MoKα","","0.0406","0.0257","","0.07","","0.0657","","","1.053","","","1.106","","","","has coordinates","179594","2020-10-21","18:00:00","" "4505844","8.2641","0.001","13.261","0.003","10.393","0.002","90","","91.93","0.02","90","","1138.3","0.4","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","fac-(diethylenetriamine)tricyanocobalt(III) monohydrate","","- C7 H15 Co N6 O -","- C7 H15 Co N6 O -","- C28 H60 Co4 N24 O4 -","4","1","","Chun, Hyungphil; Bernal, Ivan","Crystal Structures of Neutral Cobalt(III) Complexes: Common Hydrogen-Bonding Patterns Observed in Compounds of Different Molecular Structures","Crystal Growth & Design","2001","1","2","143","","10.1021/cg000003n","","","0.71073","MoKα","","0.0415","0.0321","","0.0893","","0.0849","","","1.086","","","1.135","","","","has coordinates","179594","2020-10-21","18:00:00","" "4505845","6.594","0.002","7.217","0.003","14.305","0.003","77.61","0.02","78.56","0.02","68.17","0.03","611.9","0.4","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","[N,N-(2-aminoethyl)-methyl-1,3-propanediamine]tricyanocobalt(III)","","- C9 H17 Co N6 -","- C9 H17 Co N6 -","- C18 H34 Co2 N12 -","2","1","","Chun, Hyungphil; Bernal, Ivan","Crystal Structures of Neutral Cobalt(III) Complexes: Common Hydrogen-Bonding Patterns Observed in Compounds of Different Molecular Structures","Crystal Growth & Design","2001","1","2","143","","10.1021/cg000003n","","","0.71073","MoKα","","0.1038","0.0694","","0.1827","","0.1671","","","0.993","","","1.097","","","","has coordinates","179594","2020-10-21","18:00:00","" "4505846","9.057","0.004","17.702","0.007","6.699","0.003","90","","90","","90","","1074","0.8","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","mer-[N-(2-aminoethyl)-1,3-propanediamine]trichlorocobalt(III)","","- C5 H15 Cl3 Co N3 -","- C5 H15 Cl3 Co N3 -","- C20 H60 Cl12 Co4 N12 -","4","1","","Chun, Hyungphil; Bernal, Ivan","Crystal Structures of Neutral Cobalt(III) Complexes: Common Hydrogen-Bonding Patterns Observed in Compounds of Different Molecular Structures","Crystal Growth & Design","2001","1","2","143","","10.1021/cg000003n","","","0.71073","MoKα","","0.1232","0.069","","0.2305","","0.1916","","","1.068","","","1.15","","","","has coordinates","179594","2020-10-21","18:00:00","" "4505847","9.1548","0.0011","12.731","0.002","13.7204","0.0011","90","","90","","90","","1599.1","0.3","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","mer-[N-(2-aminoethyl)-1,3-propanediamine]triacetatocobalt(III)","","- C11 H24 Co N3 O6 -","- C11 H24 Co N3 O6 -","- C44 H96 Co4 N12 O24 -","4","1","","Chun, Hyungphil; Bernal, Ivan","Crystal Structures of Neutral Cobalt(III) Complexes: Common Hydrogen-Bonding Patterns Observed in Compounds of Different Molecular Structures","Crystal Growth & Design","2001","1","2","143","","10.1021/cg000003n","","","0.71073","MoKα","","0.0475","0.0302","","0.0839","","0.0786","","","1.005","","","1.07","","","","has coordinates","179594","2020-10-21","18:00:00","" "4505848","9.5719","0.0013","13.8582","0.0014","8.849","0.002","90","","90","","90","","1173.8","0.3","293","2","293","2","","","","","","","","5","P 21 n b","P -2bc 2a","33","","mer-cis-[N-(2-aminoethyl)-1,3-propanediamine]cyanodinitrocobalt(III)","","- C6 H15 Co N6 O4 -","- C6 H15 Co N6 O4 -","- C24 H60 Co4 N24 O16 -","4","1","","Chun, Hyungphil; Bernal, Ivan","Crystal Structures of Neutral Cobalt(III) Complexes: Common Hydrogen-Bonding Patterns Observed in Compounds of Different Molecular Structures","Crystal Growth & Design","2001","1","2","143","","10.1021/cg000003n","","","0.71073","MoKα","","0.0729","0.0407","","0.1233","","0.1132","","","1.051","","","1.223","","","","has coordinates","179594","2020-10-21","18:00:00","" "4505849","8.0875","0.0011","11.677","0.003","12.218","0.002","90","","90","","90","","1153.8","0.4","293","2","293","2","","","","","","","","5","P b n 21","P 2c -2ab","33","","mer-cis-[N-(2-aminoethyl)-1,3-propanediamine]dinitromethylcobalt(III)","","- C6 H18 Co N5 O4 -","- C6 H18 Co N5 O4 -","- C24 H72 Co4 N20 O16 -","4","1","","Chun, Hyungphil; Bernal, Ivan","Crystal Structures of Neutral Cobalt(III) Complexes: Common Hydrogen-Bonding Patterns Observed in Compounds of Different Molecular Structures","Crystal Growth & Design","2001","1","2","143","","10.1021/cg000003n","","","0.71073","MoKα","","0.0434","0.022","","0.0556","","0.0522","","","1.079","","","1.218","","","","has coordinates","179594","2020-10-21","18:00:00","" "4505850","10.4405","0.0011","10.3493","0.0008","12.3209","0.0012","90","","90","","90","","1331.3","0.2","248","2","248","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C14 H16 O3 S -","- C14 H16 O3 S -","- C56 H64 O12 S4 -","4","1","","Ahn, Shinbyoung; Kariuki, Benson M.; Harris, Kenneth D. M.","Polymorphs of a 1:1 Cocrystal with Tunnel and Layer Structures: p,p‘-Biphenol/Dimethyl Sulfoxide","Crystal Growth & Design","2001","1","2","107","","10.1021/cg000010b","","","0.71069","MoKα","","0.0446","0.0412","","0.096","0.0945","","","","1.113","1.115","1.115","","","","","has coordinates","201982","2020-10-21","18:00:00","" "4505851","3.719","0.003","12.62","0.01","8.8","0.006","90","","97.63","0.02","90","","409.4","0.5","298","","298","","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C6 H4 Cl2 Cu N2 S -","- C6 H4 Cl2 Cu N2 S -","- C12 H8 Cl4 Cu2 N4 S2 -","2","0.5","","Papaefstathiou, Giannis S.; Tsohos, Alexandros; Raptopoulou, Catherine P.; Terzis, Aris; Psycharis, Vassilis; Gatteschi, Dante; Perlepes, Spyros P.","Crystal Engineering: Stacking Interactions Control the Crystal Structures of Benzothiadiazole (btd) and Its Complexes with Copper(II) and Copper(I) Chlorides","Crystal Growth & Design","2001","1","3","191","","10.1021/cg010284e","","","0.71073","MoKα","","0.0531","0.051","","0.1326","0.128","","","","1.053","1.054","1.054","","","","","has coordinates","179594","2020-10-21","18:00:00","" "4505852","3.84","0.002","12.229","0.005","15.724","0.006","90","","90","","90","","738.4","0.6","298","","298","","","","","","","","","6","I b m 2","I 2 -2b","46","","","","- C6 H4 Cl Cu N2 S -","- C6 H4 Cl Cu N2 S -","- C24 H16 Cl4 Cu4 N8 S4 -","4","0.5","","Papaefstathiou, Giannis S.; Tsohos, Alexandros; Raptopoulou, Catherine P.; Terzis, Aris; Psycharis, Vassilis; Gatteschi, Dante; Perlepes, Spyros P.","Crystal Engineering: Stacking Interactions Control the Crystal Structures of Benzothiadiazole (btd) and Its Complexes with Copper(II) and Copper(I) Chlorides","Crystal Growth & Design","2001","1","3","191","","10.1021/cg010284e","","","0.71073","MoKα","","0.0271","0.0238","","0.0663","0.0638","","","","1.088","1.101","1.101","","","","","has coordinates","179594","2020-10-21","18:00:00","" "4505853","27.128","0.003","4.793","0.001","22.658","0.002","90","","114.76","0.01","90","","2675.3","0.7","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C30 H26 N4 O4 S -","- C30 H26 N4 O4 S -","- C120 H104 N16 O16 S4 -","4","0.5","","Pedireddi, V. R.","Design and Synthesis of Novel Aza-Aromatic Host−Guest Complexes: Crystal Structures of 1,7-Phenanthroline with Thiodipropionic and Thiodiglycolic Acids","Crystal Growth & Design","2001","1","5","383","","10.1021/cg015511r","","","0.71073","MoKα","","0.0589","0.0413","","0.1017","0.0887","","","","1.103","1.119","1.119","","","","","has coordinates","176467","2020-10-21","18:00:00","" "4505854","22.317","0.006","6.846","0.002","20.946","0.009","90","","108.82","0.05","90","","3029","2","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C16 H14 N2 O4 S -","- C16 H14 N2 O4 S -","- C128 H112 N16 O32 S8 -","8","1","","Pedireddi, V. R.","Design and Synthesis of Novel Aza-Aromatic Host−Guest Complexes: Crystal Structures of 1,7-Phenanthroline with Thiodipropionic and Thiodiglycolic Acids","Crystal Growth & Design","2001","1","5","383","","10.1021/cg015511r","","","0.71073","MoKα","","0.1426","0.0509","","0.2628","0.1046","","","","0.95","0.875","0.875","","","","","has coordinates","201982","2020-10-21","18:00:00","" "4505855","26.915","0.003","7.9216","0.0006","14.263","0.0004","90","","105.618","0.001","90","","2928.7","0.4","298","1","298","1","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","2-mercapto-1-methyl-imidazole.tetrafluoro-1,4-diiodobenzene (1/1)","","- C10 H6 F4 I2 N2 S -","- C10 H6 F4 I2 N2 S -","- C80 H48 F32 I16 N16 S8 -","8","1","","Jay, Julie I.; Padgett, Clifford W.; Walsh, Rosa D. B.; Hanks, Timothy W.; Pennington, William T.","Noncovalent Interactions in 2-Mercapto-1-methylimidazole Complexes with Organic Iodides","Crystal Growth & Design","2001","1","6","501","","10.1021/cg015538a","","","0.71073","MoKα","","0.0563","0.0363","","","0.0833","0.0951","","","","","","1.052","","","","has coordinates","179594","2020-10-21","18:00:00","" "4505856","20.1789","0.0012","10.7824","0.001","14.5072","0.0002","90","","118.767","0.001","90","","2766.9","0.3","298","1","298","1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","2-mercapto-1-methyl-imidazole.tetraiodoethylene (1/1)","","- C6 H6 I4 N2 S -","- C6 H6 I4 N2 S -","- C48 H48 I32 N16 S8 -","8","1","","Jay, Julie I.; Padgett, Clifford W.; Walsh, Rosa D. B.; Hanks, Timothy W.; Pennington, William T.","Noncovalent Interactions in 2-Mercapto-1-methylimidazole Complexes with Organic Iodides","Crystal Growth & Design","2001","1","6","501","","10.1021/cg015538a","","","0.71073","MoKα","","0.0553","0.0492","","","0.1245","0.1302","","","","","","1.087","","","","has coordinates","179594","2020-10-21","18:00:00","" "4505857","7.4978","0.0007","8.1906","0.0012","11.6512","0.0012","83.245","0.004","84.695","0.003","86.135","0.003","706.35","0.14","298","1","298","1","","","","","","","","6","P -1","-P 1","2","","2-mercapto-1-methyl-imidazole.tetrafluoro-1,2-diiodobenzene (1/1)","","- C10 H6 F4 I2 N2 S -","- C10 H6 F4 I2 N2 S -","- C20 H12 F8 I4 N4 S2 -","2","1","","Jay, Julie I.; Padgett, Clifford W.; Walsh, Rosa D. B.; Hanks, Timothy W.; Pennington, William T.","Noncovalent Interactions in 2-Mercapto-1-methylimidazole Complexes with Organic Iodides","Crystal Growth & Design","2001","1","6","501","","10.1021/cg015538a","","","0.71073","MoKα","","0.0359","0.0332","","","0.082","0.0844","","","","","","1.113","","","","has coordinates","179594","2020-10-21","18:00:00","" "4505858","9.9","0.004","9.926","0.001","16.705","0.003","83.825","0.012","86.673","0.023","71.387","0.019","1546.2","0.7","293","2","293","2","","","","","","","","5","P -1","-P 1","2","CuCl4 + 2DMANH","","","- C28 H38 Cl4 Cu N4 -","- C28 H38 Cl4 Cu N4 -","- C56 H76 Cl8 Cu2 N8 -","2","1","","Valdés-Martínez, Jesús; Del Rio-Ramirez, Marisa; Hernández-Ortega, Simón; Aakeröy, Christer B.; Helfrich, Brian","Demonstrating the Importance of Hydrogen Bonds through the Absence of Hydrogen Bonds","Crystal Growth & Design","2001","1","6","485","","10.1021/cg0155393","","","0.71073","MoKα","","0.1139","0.0546","","","0.1006","0.1208","","","","","","1.001","","","","has coordinates","179594","2020-10-21","18:00:00","" "4505859","9.6535","0.0009","9.7211","0.0011","19.3952","0.0017","75.645","0.009","77.522","0.006","65.741","0.009","1594.1","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","CuBr4 + 2DMANH","","","- C28 H38 Br4 Cu N4 -","- C28 H38 Br4 Cu N4 -","- C56 H76 Br8 Cu2 N8 -","2","1","","Valdés-Martínez, Jesús; Del Rio-Ramirez, Marisa; Hernández-Ortega, Simón; Aakeröy, Christer B.; Helfrich, Brian","Demonstrating the Importance of Hydrogen Bonds through the Absence of Hydrogen Bonds","Crystal Growth & Design","2001","1","6","485","","10.1021/cg0155393","","","0.71073","MoKα","","0.1254","0.0534","","","0.0902","0.1109","","","","","","0.99","","","","has coordinates","179594","2020-10-21","18:00:00","" "4505860","15.237","0.003","11.774","0.002","17.443","0.004","90","","94.113","0.004","90","","3121.2","1.1","203","2","203","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","ZnCl4 + 2DMANH","","","- C28 H38 Cl4 N4 Zn -","- C28 H38 Cl4 N4 Zn -","- C112 H152 Cl16 N16 Zn4 -","4","0.5","","Valdés-Martínez, Jesús; Del Rio-Ramirez, Marisa; Hernández-Ortega, Simón; Aakeröy, Christer B.; Helfrich, Brian","Demonstrating the Importance of Hydrogen Bonds through the Absence of Hydrogen Bonds","Crystal Growth & Design","2001","1","6","485","","10.1021/cg0155393","","","0.71073","MoKα","","0.0518","0.0397","","","0.1064","0.1126","","","","","","1.085","","","","has coordinates","179594","2020-10-21","18:00:00","" "4505861","14.816","0.003","12.46","0.002","18.734","0.003","90","","93.95","0.03","90","","3450.2","1.1","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","Cu2Cl6 + 2PSPG","","","- C14 H19 Cl3 Cu N2 -","- C14 H19 Cl3 Cu N2 -","- C112 H152 Cl24 Cu8 N16 -","8","1","","Valdés-Martínez, Jesús; Del Rio-Ramirez, Marisa; Hernández-Ortega, Simón; Aakeröy, Christer B.; Helfrich, Brian","Demonstrating the Importance of Hydrogen Bonds through the Absence of Hydrogen Bonds","Crystal Growth & Design","2001","1","6","485","","10.1021/cg0155393","","","0.71073","MoKα","","0.12","0.0594","","","0.1343","0.1633","","","","","","1.014","","","","has coordinates","179594","2020-10-21","18:00:00","" "5000049","6.3925","0.0017","5.3424","0.0014","10.733","0.003","90","","90","","90","","366.546","","","","113","","","","","","","","","3","P b c m","-P 2c 2b","57","","Acetone","","- C3 H6 O -","- C5 H12 O -","- C20 H48 O4 -","4","0.5","","J.C.Huffman","","Private Communication","2001","","","","","","","","","","","","0.0491","","","0.0491","","","","","","","","","","","has coordinates","176451","2020-10-21","18:00:00","" "5000184","5.28","0.002","12.972","0.005","16.707","0.007","90","","90","","90","","1144.3","","","","","","","","","","","","","2","P 21 21 21","P 2ac 2ab","19","","","","- C18 H12 -","- C18 H12 -","- C72 H48 -","4","1","","Collings, Jonathan C.; Roscoe, Karl P.; Thomas, Rhodri Ll.; Batsanov, Andrei S.; Stimson, Lorna M.; Howard, Judith A. K.; Marder, Todd B.","Arene-perfluoroarene interactions in crystal engineering. Part 3. Single-crystal structures of 1:1 complexes of octafluoronaphthalene with fused-ring polyaromatic hydrocarbons","New Journal of Chemistry","2001","25","11","1410","1417","10.1039/b105502j","","","","","","","","","","","","","","","","","","","","","has coordinates","175430","2020-10-21","18:00:00","" "5000296","55.071","0.004","33.491","0.003","27.331","0.002","90","","114.966","","90","","45699","7","","","","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C182 H193 Mn18 N7 O74 P12 -","- C191 H156 Mn18 N6 O74 P12 -","- C1528 H1248 Mn144 N48 O592 P96 -","8","1","","Colette Boskovic; Maren Pink; John C. Huffman; David N. Hendrickson; George Christou","Single-Molecule Magnets: Ligand-Induced Core Distortion and Multiple Jahn-Teller Isomerism in [Mn12O12(O2CMe)8(O2PPh2)8(H2O)4]","Journal of the American Chemical Society","2001","123","","9914","9915","10.1021/ja016341+","","","0.71073","MoKα","","","0.0777","","","","0.0801","","","","","","1.6418","","","","has coordinates,has disorder","176451","2020-10-21","18:00:00","" "5000297","9.0324","0.0007","10.5874","0.0008","12.5495","0.001","93.64","0.002","106.299","0.002","110.788","0.002","1058.95","0.14","115","2","115","2","","","","","","","","5","P -1","-P 1","2","MSC01007","","","- C48 H50 B2 F8 N4 -","- C48 H50 B2 F8 N4 -","- C48 H50 B2 F8 N4 -","1","0.5","","Tilak Chandra; Maren Pink; Jeffrey M. Zaleski","Macrocyclic Metalloenediynes of Cu(II) and Zn(II): A Thermal Reactivity Comparison","Inorganic Chemistry","2001","40","","5878","5885","10.1021/ic010424+","","","0.71073","MoKα","","0.0915","0.0469","","","0.1044","0.1229","","","","","","0.972","","","","has coordinates","277867","2022-09-15","08:51:10","" "5000298","25.2075","0.0019","25.2075","0.0019","13.4133","0.0014","90","","90","","90","","8523.1","1.3","113","2","113","2","","","","","","","","6","P 42/n :2","-P 4bc","86","","","","- C124 H136 Cl24 Mn12 O48 P8 -","- C124 H136 Cl24.008 Mn12 O48 P8 -","- C248 H272 Cl48.016 Mn24 O96 P16 -","2","0.25","","Boskovic, Colette; Pink, Maren; Huffman, John C.; Hendrickson, David N.; Christou, George","Single-Molecule Magnets: Ligand-Induced Core Distortion and Multiple Jahn‒Teller Isomerism in [Mn~12~O~12~(O~2~CMe)~8~(O~2~PPh~2~)~8~(H~2~O)~4~]","Journal of the American Chemical Society","2001","123","40","9914","9915","10.1021/ja016341+","","","0.71073","MoKα","","0.1153","0.0666","","","0.1925","0.218","","","","","","1.021","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00","" "5000387","10.3321","0.0007","15.171","0.0011","21.4033","0.0015","90","","90.204","0.001","90","","3354.91","","","","200","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","fac-Tricarbonyl-(propylcarbonato-O)-(1,3-bis(diphenylphosphino)propane-P,P')-r henium(i)","","- C34 H33 O6 P2 Re -","- C36 H40 O6 P2 Re -","- C144 H160 O24 P8 Re4 -","4","1","","K.Johnson; T.Frazier; T.M.Becker; K.Miller; D.M.Ho; J.A.Krause-Bauer; S.K.Mandal","","Inorganic Chemistry Communications","2001","4","","602","","10.1016/S1387-7003(01)00281-7","","","","","","","3.31","","","3.31","","","","","","","","","","","has coordinates","176451","2020-10-21","18:00:00","" "5000396","22.8785","0.0005","12.4546","0.0003","25.6155","0.0005","90","","93.51","0.001","90","","7285.3","0.3","200","2","200","2","","","","","","","chemical synthesis","3","C 1 2/c 1","-C 2yc","15","","1,2,4-Tri(t-butyl)-5,6,7,8-tetraphenyl-9-oxo-1,4-dihydro-1,4-methanonaphthalene","","- C47 H48 O -","- C47 H48 O -","- C376 H384 O8 -","8","1","","Jiajia Zhang; Douglas M. Ho; Robert A. Pascal","Synthesis of an Extremely Crowded Naphthalene via a Stable Norbornadienone","Journal of the American Chemical Society","2001","123","","10919","10926","10.1021/ja011453m","","","0.71073","MoKα","","0.0856","0.0502","","0.1285","0.1122","","","","1.028","1.108","1.108","","","","","has coordinates","176451","2020-10-21","18:00:00","" "5000397","13.3467","0.0009","9.3553","0.0005","27.408","0.002","90","","102.452","0.002","90","","3341.7","0.4","200","2","200","2","","","","","","","chemical synthesis","3","P 1 21/n 1","-P 2yn","14","","4,6-Di(t-butyl)-1,2,3-triphenylfluoranthene","","- C43 H40 Cl2 -","- C42 H38 -","- C168 H152 -","4","1","","Jiajia Zhang; Douglas M. Ho; Robert A. Pascal","Synthesis of an Extremely Crowded Naphthalene via a Stable Norbornadienone","Journal of the American Chemical Society","2001","123","","10919","10926","10.1021/ja011453m","","","0.71073","MoKα","","0.1065","0.0575","","0.1543","0.1372","","","","0.969","1.144","1.144","","","","","has coordinates","176451","2020-10-21","18:00:00","" "5000398","10.1358","0.0009","16.5748","0.0014","22.172","0.002","76.86","0.004","82.762","0.004","75.525","0.004","3502.7","0.5","200","2","200","2","","","","","","","chemical synthesis","2","P -1","-P 1","2","","5,6,8-Tri(t-butyl)-1,2,3,4-tetraphenylnaphthalene","","- C46 H48 -","- C46 H48 -","- C184 H192 -","4","2","","Jiajia Zhang; Douglas M. Ho; Robert A. Pascal","Synthesis of an Extremely Crowded Naphthalene via a Stable Norbornadienone","Journal of the American Chemical Society","2001","123","","10919","10926","10.1021/ja011453m","","","0.71073","MoKα","","0.2174","0.0944","","0.1714","0.1331","","","","1.049","1.259","1.259","","","","","has coordinates","277867","2022-09-15","08:51:11","" "6000199","11.18","0.01","16.17","0.01","4.11","0.003","90","","90","","90","","743.01","","","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","2,4-di-bromo-aniline","","- C6 H5 Br2 N -","- C6 H5 Br2 N -","- C24 H20 Br8 N4 -","4","1","","Goubitz, K.; Sonneveld, E. J.; Schenk, H.","Crystal structure determination of a series of small organic compounds from powder data","Zeitschrift für Kristallographie","2001","216","3","176","181","10.1524/zkri.216.3.176.20326","","","","","","","","","","","","","","","","","","","","","has coordinates","288314","2023-12-14","16:11:03","" "6000200","6.288","0.004","7.361","0.004","16.93","0.01","90","","90","","90","","783.62","","","","","","","","","","","","","4","P c a 21","P 2c -2ac","29","","4-iodo-anisole","","- C7 H7 I O -","- C7 H7 I O -","- C28 H28 I4 O4 -","4","1","","Goubitz, K.; Sonneveld, E. J.; Schenk, H.","Crystal structure determination of a series of small organic compounds from powder data","Zeitschrift für Kristallographie","2001","216","3","176","181","10.1524/zkri.216.3.176.20326","","","","","","","","","","","","","","","","","","","","","has coordinates","288314","2023-12-14","16:11:10","" "6000201","13.23","0.01","4.652","0.003","12.82","0.01","90","","109.69","0.04","90","","742.89","","","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","2-iodo-benzenemethanol","","- C7 H7 I O -","- C7 H7 I O -","- C28 H28 I4 O4 -","4","1","","Goubitz, K.; Sonneveld, E. J.; Schenk, H.","Crystal structure determination of a series of small organic compounds from powder data","Zeitschrift für Kristallographie","2001","216","3","176","181","10.1524/zkri.216.3.176.20326","","","","","","","","","","","","","","","","","","","","warnings","has coordinates","288353","2023-12-15","21:52:21","" "6000202","14.58","0.02","4.094","0.004","11.62","0.01","90","","94.12","0.06","90","","691.8","","","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2-amino-benzothiazole","","- C7 H6 N2 S -","- C7 H6 N2 S -","- C28 H24 N8 S4 -","4","1","","Goubitz, K.; Sonneveld, E. J.; Schenk, H.","Crystal structure determination of a series of small organic compounds from powder data","Zeitschrift für Kristallographie","2001","216","3","176","181","10.1524/zkri.216.3.176.20326","","","","","","","","","","","","","","","","","","","","","has coordinates","288314","2023-12-14","16:11:39","" "6000203","12.2125","","10.7524","","18.6199","","90","","90","","90","","2445.05","","","","","","","","","","","","","4","P n m a","","","","","","- C26 H28 N4 O4 -","","","","","","Lasocha, W.; Milart, P.; Rafalska-Lasocha, A.; Schenk, H.","Crystal structure of the complex of 1,8-bis(dimethylamino)naphthalene with p-nitrosophenol by powder diffraction methods","Zeitschrift für Kristallographie","2001","216","2","117","121","10.1524/zkri.216.2.117.20337","","","","","","","","","","","","","","","","","","","","","","176292","2020-10-21","18:00:00","" "6000463","12.658","","14.502","","10.82","","90","","109.924","","90","","1867.31","","","","","","","","","","","","","7","C 1 2/c 1","","","","","","- C2 H11 F N2 Ni O7 P2 -","","","","","","Liu, Y. L.; Zhang, L. R.; Shi, Z.; Yuan, H. M.; Pang, W. Q.","Solvothermal synthesis and structure of Ni(HP2O7)F.C2N2H10, a new fluorinated nickel phosphate with a chain structure","Journal of Solid State Chemistry","2001","158","","68","73","10.1006/jssc.2000.9061","","","","","","","","","","","","","","","","","","","","","","176292","2020-10-21","18:00:00","" "6000464","8.9404","","8.0226","","11.7395","","90","","100.72","","90","","827.32","","","","","","","","","","","","","6","P 1 21/n 1","","","","","","- C H2 Ag3 O9 P2 V -","","","","","","Barthelet, K.; Riou, D.; Ferey, G.","Hydrothermal synthesis and structure determination of Ag-3((VO2)-O-V){O3P-CH2-PO3} or MIL-42: a new vanadium(V) methylendiphosphonate inserting silver cations","Solid State Sciences","2001","3","","203","209","10.1016/S1293-2558(00)01132-8","","","","","","","","","","","","","","","","","","","","","","176292","2020-10-21","18:00:00","" "6000465","9.2769","","14.798","","14.611","","90","","90","","90","","2005.79","","","","","","","","","","","","","7","P b c m","","","","","","- C4 H16 Al3 Mg N3 O17 P4 -","","","","","","Kongshaug, K. O.; Fjellvag, H.; Lillerud, K. P.","Synthesis and characterization of the open-framework magnesium aluminophosphate UiO-28","Journal of Materials Chemistry","2001","11","","1242","1247","10.1039/b008728i","","","","","","","","","","","","","","","","","","","","","","176292","2020-10-21","18:00:00","" "6000466","9.2186","","14.8652","","14.5811","","90","","90","","90","","1998.14","","","","","","","","","","","","","7","P b c m","","","","","","- C4 H14 Al3 Mg N3 O16 P4 -","","","","","","Kongshaug, K. O.; Fjellvag, H.; Lillerud, K. P.","Synthesis and characterization of the open-framework magnesium aluminophosphate UiO-28","Journal of Materials Chemistry","2001","11","","1242","1247","10.1039/b008728i","","","","","","","","","","","","","","","","","","","","","","176292","2020-10-21","18:00:00","" "6000467","9.3013","","9.4976","","9.2685","","98.71","","98.953","","60.228","","699.42","","","","","","","","","","","","","5","P -1","","","","","","- H6 In2 Na2 O17 P4 -","","","","","","Mi, J. X.; Huang, Y. X.; Mao, S. Y.; Huang, X. D.; Wei, Z. B.; Huang, Z. L.; Zhao, J. T.","Hydrothermal synthesis and crystal structure of Na2In2[PO3(OH)](4).H2O with a new structure type","Journal of Solid State Chemistry","2001","157","","213","219","10.1006/jssc.2000.9077","","","","","","","","","","","","","","","","","","","","","","176292","2020-10-21","18:00:00","" "6000468","5.393","","9.813","","19.285","","80.67","","88.78","","89.86","","1006.86","","","","","","","","","","","","","7","P 1","","","","","","- C24 H60 F4 Ga4 N4 O16 P4 -","","","","","","Sassoye, C.; Loiseau, T.; Ferey, G.","Hydrothermal synthesis and crystal structure of a novel layered fluorinated gallium phosphate intercalating 1,12-diaminododecane Ga-4(PO4)(4)F-4.N4C24H60 (MIL-35)","Journal of Fluorine Chemistry","2001","107","","187","192","10.1016/S0022-1139(00)00357-2","","","","","","","","","","","","","","","","","","","","","","176292","2020-10-21","18:00:00","" "6000469","8.229","","9.739","","9.754","","60.74","","72.36","","84.67","","648.47","","","","","","","","","","","","","6","P -1","","","","","","- C7 H6 K8 N O11 Y -","","","","","","Vaidhyanathan, R.; Natarajan, S.; Rao, C. N. R.","Three-dimensional yttrium oxalates possessing large channels","Chemistry of Materials","2001","13","","185","191","10.1021/cm000419o","","","","","","","","","","","","","","","","","","","","","","176292","2020-10-21","18:00:00","" "6000470","11.552","","17.168","","8.719","","90","","130.64","","90","","1312.14","","","","","","","","","","","","","5","C 1 c 1","","","","","","- C9 H12 N2 O8 Y -","","","","","","Vaidhyanathan, R.; Natarajan, S.; Rao, C. N. R.","Three-dimensional yttrium oxalates possessing large channels","Chemistry of Materials","2001","13","","185","191","10.1021/cm000419o","","","","","","","","","","","","","","","","","","","","","","176292","2020-10-21","18:00:00","" "6000473","7.4219","","31.5289","","13.6682","","90","","91.807","","90","","3196.83","","","","","","","","","","","","","6","P 1 21/n 1","","","","","","- C3 H16 Be3 N2 O16 P4 -","","","","","","Harrison, W. T. A.","[H3N(CH2)(3)NH3].Be3(HPO4)(4), a three-dimensional framework beryllophosphate containing tetrahedral 10-rings and 12-rings","International Journal of Inorganic Materials","2001","3","","17","22","10.1016/S1466-6049(00)00101-X","","","","","","","","","","","","","","","","","","","","","","176292","2020-10-21","18:00:00","" "6000556","7.6063","","8.622","","8.749","","90","","97.24","","90","","569.2","","","","","","","","","","","","","2","P 1 21/c 1","","","","","","- C7 H10 -","","","","","","Brunelli, M.; Fitch, A. N.; Jouanneaux, A.; Mora, A. J.","Crystal and molecular structures of norbornene","Zeitschrift für Kristallographie","2001","216","1","51","55","10.1524/zkri.216.1.51.18996","","","","","","","","","","","","","","","","","","","","","","176292","2020-10-21","18:00:00","" "6000750","7.7888","","6.6973","","6.8413","","90","","90","","90","","356.87","","","","5","","","","","","","","","1","P b c a","","","","","","- O3 -","","","","","","Marx, R.; Ibberson, R. M.","Powder diffraction study on solid ozone","Solid State Sciences","2001","3","","195","202","10.1016/S1293-2558(00)01131-6","","","","","","","","","","","","","","","","","","","","","","201984","2020-10-21","18:00:00","" "6000751","11.9021","","11.9021","","8.3962","","90","","90","","90","","1189.41","","","","","","","","","","","","","4","I 4/m c m","","","","","","- Ba3 Cu3 O12 Sc4 -","","","","","","Gregory, D. H.; Mawdsley, P. R.; Barker, S. J.; Daniell, W.; Weston, D. P.","Synthesis, stoichiometry and structure of the quaternary scandium cuprate Ba3Cu3Sc4O12 and of 334-phase solid solution members Ba3Cu3Sc4-xInxO12 (0 <= x <= 4)","Journal of Materials Chemistry","2001","11","","806","814","10.1039/b008787o","","","","","","","","","","","","","","","","","","","","","","176292","2020-10-21","18:00:00","" "6000752","3.713","","3.787","","12.636","","90","","90","","90","","177.68","","","","","","","","","","","","","4","I m m m","","","","","","- Cu Eu0.8 O3.4 Sr1.2 -","","","","","","Han, C. Q.; Chen, X. L.; Liang, J. K.; Liu, Q. L.; Rao, G. H.","The ternary system Eu2O3-SrO-CuO: Compounds and phase relations","Journal of Solid State Chemistry","2001","156","","247","250","10.1006/jssc.2000.8997","","","","","","","","","","","","","","","","","","","","","","176292","2020-10-21","18:00:00","" "6000753","8.1732","","16.086","","3.6268","","90","","101.4","","90","","467.42","","","","","","","","","","","","","4","C 1 m 1","","","","","","- B3 Ca4 La O10 -","","","","","","Zhang, Y.; Chen, X. L.; Liang, J. K.; Cao, Y. G.; Xu, T.","Phase relations in the system La2O3-CaO-B2O3","Journal of Alloys and Compounds","2001","315","","198","202","10.1016/S0925-8388(00)01276-7","","","","","","","","","","","","","","","","","","","","","","176292","2020-10-21","18:00:00","" "6000754","6.8738","","4.9118","","5.7018","","90","","98.829","","90","","190.23","","","","","","","","","","","","","5","P 1 21 1","","","","","","- B F0.25 H0.75 O4.75 Zn2 -","","","","","","Corbel, G.; Suard, E.; Emery, J.; Leblanc, M.","OH-F disorder in non-centrosymmetric Zn-2(BO3)(OH)(0.75)F-0.25: ab initio structure determination and nmr study; comparison with tridymite and fluoride borates","Journal of Alloys and Compounds","2001","315","","285","","10.1016/S0925-8388(01)00891-X","","","","","","","","","","","","","","","","","","","","","","176292","2020-10-21","18:00:00","" "6000755","8.659","","10.3467","","8.391","","102.18","","93.676","","88.203","","733.21","","","","","","","","","","","","","6","P -1","","","","","","- C8 H32 N4 O24 P6 Zn4 -","","","","","","Echavarria, A.; Saldarriaga, C.","A zinc phosphate with laminar structure: (ZnPO4)(4)(H2PO4)(2)(C4N2H14)(2)","Microporous and Mesoporous Materials","2001","42","","59","65","10.1016/S1387-1811(00)00286-9","","","","","","","","","","","","","","","","","","","","","","176292","2020-10-21","18:00:00","" "6000756","13.5505","","7.1407","","14.704","","90","","90","","90","","1422.76","","","","","","","","","","","","","5","Pmn2","","","","","","- H O31 P6 Rb6 V6 -","","","","","","Le, Fur E; De, Villars B; Tortelier, J.; Pivan, J. Y.","New data on rubidium vanadium phosphate Structure determination of the disordered (V-V-P-V) compound Rb-6(V2O3)(2)(VO)(2)(PO4)(4)(HP2-xVxO7) with x similar to 0.6","International Journal of Inorganic Materials","2001","3","","9","15","10.1016/S1466-6049(00)00100-8","","","","","","","","","","","","","","","","","","","","","","176292","2020-10-21","18:00:00","" "7008878","18.162","0.009","39.016","0.019","13.054","0.007","90","","104.29","0.02","90","","8964","8","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C64.8 H62.2 Cl3 Fe4 N12.4 O25 -","- C64.8 H44 Cl3 Fe4 N12.4 O25 -","- C259.2 H176 Cl12 Fe16 N49.6 O100 -","4","1","","Boudalis, Athanassios K.; Lalioti, Nikolia; Spyroulias, Georgios A.; Raptopoulou, Catherine P.; Terzis, Aris; Tangoulis, Vassilis; Perlepes, Spyros P.","Tetranuclear iron(III) carboxylate clusters with 1,10-phenanthroline and 2,2'-bipyridine: a new [Fe4(μ4-OHO)(μ-OH)2]7+ core","Journal of the Chemical Society, Dalton Transactions","2001","","7","955","","","","","0.71073","MoKα","","0.1491","0.0993","","0.3128","0.2676","","","","1.102","1.181","1.181","","","","","has coordinates","176453","2020-10-21","18:00:00","" "7008879","18.8","0.01","19.221","0.01","24.39","0.012","90","","109.132","0.015","90","","8327","7","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C55.76 H58.64 Cl3 Fe4 N11.88 O24 -","- C55.86 Cl3 Fe4 N11.93 O24 -","- C223.44 Cl12 Fe16 N47.72 O96 -","4","1","","Boudalis, Athanassios K.; Lalioti, Nikolia; Spyroulias, Georgios A.; Raptopoulou, Catherine P.; Terzis, Aris; Tangoulis, Vassilis; Perlepes, Spyros P.","Tetranuclear iron(III) carboxylate clusters with 1,10-phenanthroline and 2,2'-bipyridine: a new [Fe4(μ4-OHO)(μ-OH)2]7+ core","Journal of the Chemical Society, Dalton Transactions","2001","","7","955","","","","","0.71073","MoKα","","0.1254","0.1088","","0.3453","0.32","","","","1.071","1.125","1.125","","","","","has coordinates","179792","2020-10-21","18:00:00","" "7010032","11.416","0.002","11.416","0.002","37.328","0.005","90","","90","","90","","4864.8","1.4","293","","293","","","","","","","","","7","P 41 2 2","P 4w 2c","91","","","","- C46 H36 Ni2 O8 P2 Ru4 S2 -","- C46 H36 Ni2 O8 P2 Ru4 S2 -","- C184 H144 Ni8 O32 P8 Ru16 S8 -","4","0.5","","Adams, Chris J.; Bruce, Michael I.; Halet, Jean-François; Kahlal, Samia; Skelton, Brian W.; White, Allan H.","Reactions of nickelocene with an Ru5 cluster: crystal structures of two nickel‒ruthenium clusters containing C2 ligands","Journal of the Chemical Society, Dalton Transactions","2001","","4","414","","10.1039/b005210h","","","0.71073","MoKα","","","0.042","","0.045","","0.034","","","1.28","","","1.378","","","","has coordinates","176432","2020-10-21","18:00:00","" "7010033","10.909","0.001","38.87","0.004","12.001","0.001","90","","98.577","0.002","90","","5031.9","0.8","293","","293","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C47 H36 Ni O9 P2 Ru5 S2 -","- C47 H36 Ni O9 P2 Ru5 S2 -","- C188 H144 Ni4 O36 P8 Ru20 S8 -","4","1","","Adams, Chris J.; Bruce, Michael I.; Halet, Jean-François; Kahlal, Samia; Skelton, Brian W.; White, Allan H.","Reactions of nickelocene with an Ru5 cluster: crystal structures of two nickel‒ruthenium clusters containing C2 ligands","Journal of the Chemical Society, Dalton Transactions","2001","","4","414","","10.1039/b005210h","","","0.71073","Mo-Kα","","0.055","0.051","","0.035","","0.035","","","2.102","","","2.291","","","","has coordinates","176432","2020-10-21","18:00:00","" "7010110","5.5207","0.0003","11.8309","0.0005","14.9809","0.0006","107.813","0.002","95.995","0.002","100.588","0.002","902.11","0.07","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C30 H32 Cl2 Co N6 O18 -","- C30 H32 Cl2 Co N6 O18 -","- C30 H32 Cl2 Co N6 O18 -","1","0.5","","Ma, Bao-Qing; Gao, Song; Sun, Hao-Ling; Xu, Guang-Xian","Novel three-dimensional networks cross-linked by two sets of hydrogen bonded frameworks based on 1-D {[M(H2O)4(4,4'-dpdo)][ClO4]2·2(4,4'-dpdo)}n (4,4'-dpdo = 4,4'-bipyridine dioxide; M = Co, Ni, Cu or Zn)","Journal of the Chemical Society, Dalton Transactions","2001","","2","130","","10.1039/b006142p","","","0.71073","MoKα","","0.068","0.0455","","","0.1304","0.1628","","","","","","1.085","","","","has coordinates","179805","2020-10-21","18:00:00","" "7010111","5.4646","0.0002","11.8165","0.0007","15.0889","0.0009","108.759","0.002","95.4","0.003","100.163","0.003","896.12","0.08","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C30 H32 Cl2 N6 Ni O18 -","- C30 H32 Cl2 N6 Ni O18 -","- C30 H32 Cl2 N6 Ni O18 -","1","0.5","","Ma, Bao-Qing; Gao, Song; Sun, Hao-Ling; Xu, Guang-Xian","Novel three-dimensional networks cross-linked by two sets of hydrogen bonded frameworks based on 1-D {[M(H2O)4(4,4'-dpdo)][ClO4]2·2(4,4'-dpdo)}n (4,4'-dpdo = 4,4'-bipyridine dioxide; M = Co, Ni, Cu or Zn)","Journal of the Chemical Society, Dalton Transactions","2001","","2","130","","10.1039/b006142p","","","0.71073","MoKα","","0.0991","0.0859","","","0.2063","0.212","","","","","","1.137","","","","has coordinates","179805","2020-10-21","18:00:00","" "7010112","5.354","0.0002","11.8921","0.0004","15.2705","0.0006","110.739","0.002","94.0425","0.0019","99.235","0.0018","888.91","0.06","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C30 H32 Cl2 Cu N6 O18 -","- C30 H32 Cl2 Cu N6 O18 -","- C30 H32 Cl2 Cu N6 O18 -","1","0.5","","Ma, Bao-Qing; Gao, Song; Sun, Hao-Ling; Xu, Guang-Xian","Novel three-dimensional networks cross-linked by two sets of hydrogen bonded frameworks based on 1-D {[M(H2O)4(4,4'-dpdo)][ClO4]2·2(4,4'-dpdo)}n (4,4'-dpdo = 4,4'-bipyridine dioxide; M = Co, Ni, Cu or Zn)","Journal of the Chemical Society, Dalton Transactions","2001","","2","130","","10.1039/b006142p","","","0.71073","MoKα","","0.0574","0.0421","","","0.1033","0.1105","","","","","","1.031","","","","has coordinates","179805","2020-10-21","18:00:00","" "7010113","5.4888","0.0002","11.8617","0.0006","15.0146","0.0006","108.161","0.002","95.599","0.003","100.334","0.002","901.38","0.07","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C30 H32 Cl2 N6 O18 Zn -","- C30 H32 Cl2 N6 O18 Zn -","- C30 H32 Cl2 N6 O18 Zn -","1","0.5","","Ma, Bao-Qing; Gao, Song; Sun, Hao-Ling; Xu, Guang-Xian","Novel three-dimensional networks cross-linked by two sets of hydrogen bonded frameworks based on 1-D {[M(H2O)4(4,4'-dpdo)][ClO4]2·2(4,4'-dpdo)}n (4,4'-dpdo = 4,4'-bipyridine dioxide; M = Co, Ni, Cu or Zn)","Journal of the Chemical Society, Dalton Transactions","2001","","2","130","","10.1039/b006142p","","","0.71073","MoKα","","0.0696","0.0502","","","0.1304","0.1396","","","","","","1.079","","","","has coordinates","179805","2020-10-21","18:00:00","" "7010120","14.971","0.008","42.24","0.04","25.32","0.03","90","","90","","90","","16012","3","120","2","493","2","","","","","","","","6","I b c a","-I 2b 2c","73","","","","- C29.19 H51.6 Cl4 Cu2 N8.6 O2.9 -","- C29.2 H51.6 Cl4 Cu2 N8.6 O2.9 -","- C467.2 H825.6 Cl64 Cu32 N137.6 O46.4 -","16","1","","Clifford, Thomas; Danby, Andrew M.; Lightfoot, Philip; Richens, David T.; Hay, Robert W.","Preparation of the copper(II) complex of the binucleating hexaaza macrocycle 2,5,8,17,20,23-hexaaza[9.9]paracyclophane and its solution chemistry, hydrolytic activity and acid dissociation kinetics ‡","Journal of the Chemical Society, Dalton Transactions","2001","","3","240","","10.1039/b006199i","","","0.71069","MoKα","","0.1524","0.1011","","","0.2536","0.3101","","","","","","1.058","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00","" "7010166","9.836","0.004","13.669","0.004","18.534","0.007","90","","93.9","0.03","90","","2486.1","1.6","293","2","293","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","[{ZrCl2(thf)(C6H4(NSiMe2vinyl)2)}2]","","","- C36 H60 Cl4 N4 O2 Si4 Zr2 -","- C36 H60 Cl4 N4 O2 Si4 Zr2 -","- C72 H120 Cl8 N8 O4 Si8 Zr4 -","2","0.5","","Danièle, Stephane; Hitchcock, Peter B.; Lappert, Michael F.; Merle, Philippe G.","Synthesis, structures and catalytic properties of chelating N,N '-bis(silylated) 1,2-benzenediamidozirconium(IV) chlorides [and a titanium(IV) analogue] and dimethylamides †","Journal of the Chemical Society, Dalton Transactions","2001","","1","13","","10.1039/b006596j","","","0.71073","MoKα","","0.0946","0.0479","","0.1071","0.0895","","","","1.02","1.084","1.084","","","","","has coordinates","179805","2020-10-21","18:00:00","" "7010167","18.596","0.011","10.248","0.004","25.869","0.013","90","","111","0.04","90","","4602","4","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","[{Zr(C6H4(NSiMe2vinyl)2)(NMe2)2}2]","","","- C36 H68 N8 Si4 Zr2 -","- C36 H68 N8 Si4 Zr2 -","- C144 H272 N32 Si16 Zr8 -","4","1","","Danièle, Stephane; Hitchcock, Peter B.; Lappert, Michael F.; Merle, Philippe G.","Synthesis, structures and catalytic properties of chelating N,N '-bis(silylated) 1,2-benzenediamidozirconium(IV) chlorides [and a titanium(IV) analogue] and dimethylamides †","Journal of the Chemical Society, Dalton Transactions","2001","","1","13","","10.1039/b006596j","","","0.71073","MoKα","","0.075","0.0704","","0.1995","0.1918","","","","1.1","1.116","1.116","","","","","has coordinates","179805","2020-10-21","18:00:00","" "7010168","30.39","0.02","18.203","0.005","14.315","0.005","90","","102.52","0.04","90","","7731","6","173","2","173","2","","","","","","","","6","C 1 c 1","C -2yc","9","[{C6H4(NSiMe3)2}ZrCl2(Me2NCH2CH2NMe2)]","","","- C18 H38 Cl2 N4 Si2 Zr -","- C18 H38 Cl2 N4 Si2 Zr -","- C216 H456 Cl24 N48 Si24 Zr12 -","12","3","","Danièle, Stephane; Hitchcock, Peter B.; Lappert, Michael F.; Merle, Philippe G.","Synthesis, structures and catalytic properties of chelating N,N '-bis(silylated) 1,2-benzenediamidozirconium(IV) chlorides [and a titanium(IV) analogue] and dimethylamides †","Journal of the Chemical Society, Dalton Transactions","2001","","1","13","","10.1039/b006596j","","","0.71073","MoKα","","0.0408","0.0333","","","0.0681","0.0715","","","","","","1.031","","","","has coordinates","179805","2020-10-21","18:00:00","" "7010169","25.7431","0.0004","10.1941","0.0002","18.7501","0.0004","90","","116.877","0.001","90","","4389.02","0.15","173","2","173","2","","","","","","","synthesis as described","5","C 1 2/c 1","-C 2yc","15","[{Zr(NMe2)2(C6H4(NSiMe3)2)}2]","","","- C32 H68 N8 Si4 Zr2 -","- C32 H68 N8 Si4 Zr2 -","- C128 H272 N32 Si16 Zr8 -","4","0.5","","Danièle, Stephane; Hitchcock, Peter B.; Lappert, Michael F.; Merle, Philippe G.","Synthesis, structures and catalytic properties of chelating N,N '-bis(silylated) 1,2-benzenediamidozirconium(IV) chlorides [and a titanium(IV) analogue] and dimethylamides †","Journal of the Chemical Society, Dalton Transactions","2001","","1","13","","10.1039/b006596j","","x-ray","0.71073","MoKα","","0.0306","0.0262","","","0.0664","0.0691","","","","","","1.043","","","","has coordinates","179805","2020-10-21","18:00:00","" "7010173","24.904","0.004","10.229","0.002","19.581","0.002","90","","103.93","0.01","90","","4841.4","1.3","296.2","","","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C44 H50 Cu2 Mn N12 O12 -","- C44 H50 Cu2 Mn N12 O12 -","- C176 H200 Cu8 Mn4 N48 O48 -","4","0.5","","Fukita, Nobuo; Ohba, Masaaki; Shiga, Takuya; Ōkawa, Hisashi; Ajiro, Yoshitami","Trinuclear CuIIMIICuII complexes of an oxamide/dioxime ligand and extension to a bimetallic magnetic compound","Journal of the Chemical Society, Dalton Transactions","2001","","1","64","","10.1039/b006613n","","","0.7107","MoKα","","","0.043","","","","0.0511","","","","","","1.462","","","","has coordinates","176453","2020-10-21","18:00:00","" "7010174","24.903","0.005","10.222","0.004","19.569","0.006","90","","103.87","0.02","90","","4836","3","296.2","","","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C44 H50 Co Cu2 N12 O12 -","- C44 H50 Co Cu2 N12 O12 -","- C176 H200 Co4 Cu8 N48 O48 -","4","0.5","","Fukita, Nobuo; Ohba, Masaaki; Shiga, Takuya; Ōkawa, Hisashi; Ajiro, Yoshitami","Trinuclear CuIIMIICuII complexes of an oxamide/dioxime ligand and extension to a bimetallic magnetic compound","Journal of the Chemical Society, Dalton Transactions","2001","","1","64","","10.1039/b006613n","","","0.7107","MoKα","","","0.0488","","","","0.0583","","","","","","1.64","","","","has coordinates","176453","2020-10-21","18:00:00","" "7010175","24.86","0.01","10.279","0.003","19.373","0.005","90","","104.86","0.03","90","","4785","3","296.2","","","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C44 H50 Cu2 N12 Ni O12 -","- C44 H50 Cu2 N12 Ni O12 -","- C176 H200 Cu8 N48 Ni4 O48 -","4","0.5","","Fukita, Nobuo; Ohba, Masaaki; Shiga, Takuya; Ōkawa, Hisashi; Ajiro, Yoshitami","Trinuclear CuIIMIICuII complexes of an oxamide/dioxime ligand and extension to a bimetallic magnetic compound","Journal of the Chemical Society, Dalton Transactions","2001","","1","64","","10.1039/b006613n","","","0.7107","MoKα","","","0.0628","","","","0.0681","","","","","","1.81","","","","has coordinates","176453","2020-10-21","18:00:00","" "7010176","24.91","0.004","10.245","0.003","19.459","0.003","90","","104.72","0.01","90","","4803","1.8","296.2","","","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C44 H50 Cu2 N12 O12 Zn -","- C44 H50 Cu2 N12 O12 Zn -","- C176 H200 Cu8 N48 O48 Zn4 -","4","0.5","","Fukita, Nobuo; Ohba, Masaaki; Shiga, Takuya; Ōkawa, Hisashi; Ajiro, Yoshitami","Trinuclear CuIIMIICuII complexes of an oxamide/dioxime ligand and extension to a bimetallic magnetic compound","Journal of the Chemical Society, Dalton Transactions","2001","","1","64","","10.1039/b006613n","","","0.7107","MoKα","","","0.049","","","","0.0501","","","","","","1.405","","","","has coordinates","176453","2020-10-21","18:00:00","" "7010177","11.2096","0.0001","10.2163","0.0002","22.1867","0.0002","90","","103.343","0.001","90","","2472.25","0.06","173","2","173","2","","","","","","","","6","P 1 2/n 1","-P 2yac","13","Ferrocenylguaiazulenyliumtetrafluoroborat","","","- C28 H31 B F4 Fe O0.5 -","- C27.2 H27 B F4 Fe O0.3 -","- C108.8 H108 B4 F16 Fe4 O1.2 -","4","1","","Farrell, Tony; Meyer-Friedrichsen, Timo; Malessa, Maik; Haase, Detlev; Saak, Wolfgang; Asselberghs, Inge; Wostyn, Kurt; Clays, Koen; Persoons, André; Heck, Jürgen; Manning, Anthony R.","Azulenylium and guaiazulenylium cations as novel accepting moieties in extended sesquifulvalene type D‒π‒A NLO chromophores †","Journal of the Chemical Society, Dalton Transactions","2001","","1","29","","10.1039/b006624i","","","0.71073","MoKα","","0.0981","0.0727","","","0.2098","0.229","","","","","","1.077","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00","" "7010178","15.508","0.0007","13.3829","0.0008","16.0531","0.0007","90","","96.941","0.005","90","","3307.3","0.3","193","2","193","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C32 H35 B2 F8 Fe N O2 Ru -","- C32 H35 B2 F8 Fe N O2 Ru -","- C128 H140 B8 F32 Fe4 N4 O8 Ru4 -","4","1","","Farrell, Tony; Meyer-Friedrichsen, Timo; Malessa, Maik; Haase, Detlev; Saak, Wolfgang; Asselberghs, Inge; Wostyn, Kurt; Clays, Koen; Persoons, André; Heck, Jürgen; Manning, Anthony R.","Azulenylium and guaiazulenylium cations as novel accepting moieties in extended sesquifulvalene type D‒π‒A NLO chromophores †","Journal of the Chemical Society, Dalton Transactions","2001","","1","29","","10.1039/b006624i","","","0.71073","MoKα","","0.0881","0.051","","","0.1272","0.1409","","","","","","0.918","","","","has coordinates,has disorder","179805","2020-10-21","18:00:00","" "7010193","9.2442","0.0012","10.6111","0.0013","14.171","0.002","82.234","0.012","84.141","0.009","78.161","0.014","1344","0.3","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C28 H16 O9 Ru3 -","- C28 H16 O9 Ru3 -","- C56 H32 O18 Ru6 -","2","1","","Charmant, Jonathan P. H.; King, Philip J.; Quesada-Pato, Roberto; Sappa, Enrico; Schaefer, Carsten","Reactivity of multi-site bound allenylidene towards alkynes and silica gel †","Journal of the Chemical Society, Dalton Transactions","2001","","1","46","","10.1039/b006780f","","","0.71073","MoKα","","0.0329","0.0234","","","0.0461","0.0478","","","","","","0.894","","","","has coordinates","179805","2020-10-21","18:00:00","" "7010194","13.279","0.002","17.3738","0.0016","15.161","0.002","90","","102.732","0.009","90","","3411.7","0.8","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C38 H20 O9 Ru3 -","- C38 H20 O9 Ru3 -","- C152 H80 O36 Ru12 -","4","1","","Charmant, Jonathan P. H.; King, Philip J.; Quesada-Pato, Roberto; Sappa, Enrico; Schaefer, Carsten","Reactivity of multi-site bound allenylidene towards alkynes and silica gel †","Journal of the Chemical Society, Dalton Transactions","2001","","1","46","","10.1039/b006780f","","","0.71073","MoKα","","0.0342","0.0222","","","0.0488","0.0515","","","","","","0.984","","","","has coordinates","179805","2020-10-21","18:00:00","" "7010195","9.232","0.003","14.127","0.005","15.478","0.003","83.66","0.02","82.26","0.02","74.024","0.018","1917.3","1","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C41 H20 O12 Ru4 -","- C41 H20 O12 Ru4 -","- C82 H40 O24 Ru8 -","2","1","","Charmant, Jonathan P. H.; King, Philip J.; Quesada-Pato, Roberto; Sappa, Enrico; Schaefer, Carsten","Reactivity of multi-site bound allenylidene towards alkynes and silica gel †","Journal of the Chemical Society, Dalton Transactions","2001","","1","46","","10.1039/b006780f","","","0.71073","MoKα","","0.0408","0.026","","","0.0521","0.0546","","","","","","0.826","","","","has coordinates","179805","2020-10-21","18:00:00","" "7010198","18.56","0.0001","9.3076","0.0001","15.9116","0.0002","90","","100.416","0.001","90","","2703.42","0.05","295","2","295","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C18 H26 Cl2 N6 O12 Os -","- C18 H26 Cl2 N6 O12 Os -","- C72 H104 Cl8 N24 O48 Os4 -","4","0.5","","Ghosh, Amit K.; Peng, Shie-Ming; Paul, Rowena L.; Ward, Michael D.; Goswami, Sreebrata","Synthesis and structure of tris(1,2-benzoquinone diimine)osmium(II) perchlorate, and its redox and spectroelectrochemical series ‡","Journal of the Chemical Society, Dalton Transactions","2001","","3","336","","10.1039/b006808j","","","0.71073","MoKα","","0.0341","0.0285","","0.0651","0.0626","","","","1.053","1.064","1.064","","","","","has coordinates","179805","2020-10-21","18:00:00","" "7010208","20.215","0.0003","19.524","","18.0565","0.0003","90","","91.88","","90","","7122.66","0.16","203","2","203","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C74 H66 Cl F6 P5 Pt2 Se2 Sn -","- C74 H66 Cl F6 P5 Pt2 Se2 Sn -","- C296 H264 Cl4 F24 P20 Pt8 Se8 Sn4 -","4","1","","Yeo, Jeremy S. L.; Vittal, Jagadese J.; Henderson, William; Andy Hor, T. S.","Probing the Lewis basicity of the metalloligand [Pt2(μ-Se)2(PPh3)4] on tin substrates by electrospray mass spectrometry","Journal of the Chemical Society, Dalton Transactions","2001","","3","315","","10.1039/b006907h","","","0.71073","MoKα","","0.0488","0.0345","","","0.0553","0.0586","","","","","","1.081","","","","has coordinates","179806","2020-10-21","18:00:00","" "7010209","14.4249","0.0002","16.5335","0.0002","21.0858","0.0003","69.018","0.001","84.323","0.001","86.547","0.001","4670.7","0.11","203","2","203","2","","","","","","","","8","P -1","-P 1","2","","","","- C79.5 H72.5 Cl12.5 F6 P5 Pt2 Se2 Sn -","- C79.5 H72.5 Cl12.5 F6 P5 Pt2 Se2 Sn -","- C159 H145 Cl25 F12 P10 Pt4 Se4 Sn2 -","2","1","","Yeo, Jeremy S. L.; Vittal, Jagadese J.; Henderson, William; Andy Hor, T. S.","Probing the Lewis basicity of the metalloligand [Pt2(μ-Se)2(PPh3)4] on tin substrates by electrospray mass spectrometry","Journal of the Chemical Society, Dalton Transactions","2001","","3","315","","10.1039/b006907h","","","0.71073","MoKα","","0.0606","0.0513","","","0.1359","0.1433","","","","","","1.091","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00","" "7010210","12.337","0.002","16.102","0.005","21.258","0.005","86.54","0.02","86.82","0.02","87.8","0.02","4206.1","1.8","223","2","223","2","","","","","","","","8","P -1","-P 1","2","","","","- C80 H78 Cl F6 P5 Pt2 Se2 Sn2 -","- C80 H73 Cl F6 P5 Pt2 Se2 Sn -","- C160 H146 Cl2 F12 P10 Pt4 Se4 Sn2 -","2","1","","Yeo, Jeremy S. L.; Vittal, Jagadese J.; Henderson, William; Andy Hor, T. S.","Probing the Lewis basicity of the metalloligand [Pt2(μ-Se)2(PPh3)4] on tin substrates by electrospray mass spectrometry","Journal of the Chemical Society, Dalton Transactions","2001","","3","315","","10.1039/b006907h","","","0.71073","MoKα","","0.0571","0.0427","","0.1324","0.1211","","","","0.963","0.976","0.976","","","","","has coordinates,has disorder","179806","2020-10-21","18:00:00","" "7010214","6.405","0.0008","7.4178","0.0011","11.8428","0.0013","90","","90","","90","","562.66","0.13","220","2","220","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C2 H10 B Ga -","- C2 H10 B Ga -","- C8 H40 B4 Ga4 -","4","1","","Konietzny, Stefan; Fleischer, Holger; Parsons, Simon; Pulham, Colin R.","Structural characterisation of dimethylgallium tetrahydroborate and its adducts with diethyl ether and tetrahydrofuran","Journal of the Chemical Society, Dalton Transactions","2001","","3","304","","10.1039/b007026m","","","1.54178","CuKα","","0.0241","0.0234","","0.0589","0.0532","","","","1.208","1.21","1.21","","","","","has coordinates","179806","2020-10-21","18:00:00","" "7010215","7.4628","0.0012","7.8998","0.0013","10.539","0.002","87.926","0.009","77.525","0.01","64.083","0.008","544.44","0.17","190","2","190","2","","","","","","","","5","P -1","-P 1","2","","","","- C6 H20 B Ga O -","- C6 H20 B Ga O -","- C12 H40 B2 Ga2 O2 -","2","1","","Konietzny, Stefan; Fleischer, Holger; Parsons, Simon; Pulham, Colin R.","Structural characterisation of dimethylgallium tetrahydroborate and its adducts with diethyl ether and tetrahydrofuran","Journal of the Chemical Society, Dalton Transactions","2001","","3","304","","10.1039/b007026m","","","0.71073","MoKα","","0.0471","0.0365","","0.0866","0.0735","","","","1.077","1.064","1.064","","","","","has coordinates","179806","2020-10-21","18:00:00","" "7010216","11.5311","0.0015","7.6473","0.0013","12.552","0.002","90","","115.422","0.009","90","","999.7","0.3","190","2","190","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C6 H18 B Ga O -","- C6 H18 B Ga O -","- C24 H72 B4 Ga4 O4 -","4","1","","Konietzny, Stefan; Fleischer, Holger; Parsons, Simon; Pulham, Colin R.","Structural characterisation of dimethylgallium tetrahydroborate and its adducts with diethyl ether and tetrahydrofuran","Journal of the Chemical Society, Dalton Transactions","2001","","3","304","","10.1039/b007026m","","","0.71073","MoKα","","0.0303","0.0238","","0.0602","0.0566","","","","1.08","1.093","1.093","","","","","has coordinates","179806","2020-10-21","18:00:00","" "7010221","8.574","0.005","8.863","0.005","9.006","0.005","112.649","0.005","93.209","0.005","90.088","0.005","630.4","0.6","100","2","293","2","","","","","","","","6","P -1","-P 1","2","[Ru2(O2CCF3)4(phz)]","","","- C20 H8 F12 N2 O8 Ru2 -","- C20 H8 F12 N2 O8 Ru2 -","- C20 H8 F12 N2 O8 Ru2 -","1","0.5","","Miyasaka, Hitoshi; Clérac, Rodolphe; Campos-Fernández, Cristian S.; Dunbar, Kim R.","The first crystal structure of a one-dimensional chain of linked RuIIRuII units","Journal of the Chemical Society, Dalton Transactions","2001","","6","858","","10.1039/b007079n","","","0.71069","MoKα","","0.026","0.024","","","0.0623","0.0633","","","","","","1.019","","","","has coordinates","179806","2020-10-21","18:00:00","" "7010229","22.3175","0.0007","22.3175","0.0007","21.0429","0.001","90","","90","","90","","10480.9","0.7","213","2","213","2","","","","","","","","6","I 41/a :2","-I 4ad","88","","Cobalt(II) Benzoate bis(3,3',5,5'-Tetramethyl-4,4'-bipyrazolyl), bis(Bromobenzene) clathrate","","- C46 H48 Br2 Co N8 O4 -","- C46 H38 Br2 Co N8 O4 -","- C368 H304 Br16 Co8 N64 O32 -","8","0.5","","Boldog, Ishtvan; Rusanov, Eduard B.; Chernega, Alexander N.; Sieler, Joachim; Domasevitch, Konstantin V.","Coordination polymers of CoII and 3,3',5,5'-tetramethyl-4,4'-bipyrazolyl: a novel metal‒organic three-dimensional network with four-coordinated planar vertices","Journal of the Chemical Society, Dalton Transactions","2001","","6","893","","10.1039/b007183h","","","0.71073","MoKα","","0.1215","0.0689","","0.2973","0.1848","","","","1.159","1.274","1.274","","","","","has coordinates","179806","2020-10-21","18:00:00","" "7010230","14.1437","0.001","14.4751","0.0011","16.4467","0.0012","90","","97.733","0.001","90","","3336.5","0.4","223","2","223","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Cobalt(II) Acetate Benzoate 3,3',5,5'-Tetramethyl-4,4'-bipyrazolyl, bis(Bromobenzene) clathrate","","- C31 H32 Br2 Co N4 O4 -","- C31 H29 Br2 Co N4 O4 -","- C124 H116 Br8 Co4 N16 O16 -","4","1","","Boldog, Ishtvan; Rusanov, Eduard B.; Chernega, Alexander N.; Sieler, Joachim; Domasevitch, Konstantin V.","Coordination polymers of CoII and 3,3',5,5'-tetramethyl-4,4'-bipyrazolyl: a novel metal‒organic three-dimensional network with four-coordinated planar vertices","Journal of the Chemical Society, Dalton Transactions","2001","","6","893","","10.1039/b007183h","","","0.71073","MoKα","","0.1213","0.0687","","0.2386","0.1732","","","","1.025","1.172","1.172","","","","","has coordinates","179806","2020-10-21","18:00:00","" "7010232","8.9105","0.0014","10.2444","0.0016","10.4369","0.0017","63.643","0.017","65.68","0.018","75.792","0.018","775.6","0.3","213","2","213","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H38 Cu N4 O10 -","- C30 H38 Cu N4 O10 -","- C30 H38 Cu N4 O10 -","1","0.5","","Gavrielatos, Efstathios; Mitsos, Christos; Athanasellis, Giorgos; Heaton, Brian T.; Steiner, Alexander; Bickley, Jamie F.; Igglessi-Markopoulou, Olga; Markopoulos, John","Copper(II), cobalt(II), nickel(II) and zinc(II) complexes containing the enolate of N-acetyl-3-butanoyltetramic acid (Habta) and its phenylhydrazone derivative analogues. Crystal structure of [Cu(abta)2(py)2]·2H2O †","Journal of the Chemical Society, Dalton Transactions","2001","","5","639","","10.1039/b007252o","","","0.71073","MoKα","","0.0393","0.0357","","","0.0929","0.0962","","","","","","0.787","","","","has coordinates","179806","2020-10-21","18:00:00","" "7010233","10.837","0.006","21","0.01","7.149","0.006","91.38","0.06","104.02","0.05","87.67","0.04","1577","1.8","298.2","","298.2","","","","","","","","","7","P -1","-P 1","2","","","","- C24 H28 F12 N6 O2 P2 Pt -","- C24 H28 F12 N6 O2 P2 Pt -","- C48 H56 F24 N12 O4 P4 Pt2 -","2","1","","Kato, Masako; Takahashi, Junko; Sugimoto, Yukihiro; Kosuge, Chizuko; Kishi, Shinobu; Yano, Shigenobu","Selective formation of integrated stacks of (α-diimine)(ethylenediamine)platinum(II) and neutral π systems of the phenanthrene type †","Journal of the Chemical Society, Dalton Transactions","2001","","5","747","","10.1039/b007292n","","","0.7107","MoKα","","0.0987","0.0448","","0.1017","0.0945","0.1017","","","1.496","","","1.496","","","","has coordinates","176453","2020-10-21","18:00:00","" "7010234","6.945","0.005","35.895","0.008","13.249","0.005","90","","102.64","0.04","90","","3223","3","293.2","","293.2","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C26 H28 F12 N6 O2 P2 Pt -","- C26 H25 F12 N6 O2 P2 Pt -","- C104 H100 F48 N24 O8 P8 Pt4 -","4","1","","Kato, Masako; Takahashi, Junko; Sugimoto, Yukihiro; Kosuge, Chizuko; Kishi, Shinobu; Yano, Shigenobu","Selective formation of integrated stacks of (α-diimine)(ethylenediamine)platinum(II) and neutral π systems of the phenanthrene type †","Journal of the Chemical Society, Dalton Transactions","2001","","5","747","","10.1039/b007292n","","","0.7107","MoKα","","0.2332","0.0461","","","","0.1517","","","","","","0.954","","","","has coordinates","176453","2020-10-21","18:00:00","" "7010235","11.762","0.004","19.455","0.008","6.903","0.003","97.21","0.04","105.97","0.03","86.52","0.03","1506.1","1.1","294.5","","294.5","","","","","","","","","6","P -1","-P 1","2","","","","- C26 H26 F12 N4 P2 Pt -","- C26 H26 F12 N4 P2 Pt -","- C52 H52 F24 N8 P4 Pt2 -","2","1","","Kato, Masako; Takahashi, Junko; Sugimoto, Yukihiro; Kosuge, Chizuko; Kishi, Shinobu; Yano, Shigenobu","Selective formation of integrated stacks of (α-diimine)(ethylenediamine)platinum(II) and neutral π systems of the phenanthrene type †","Journal of the Chemical Society, Dalton Transactions","2001","","5","747","","10.1039/b007292n","","","0.7107","MoKα","","0.104","0.0619","","","","0.2271","","","","","","1.282","","","","has coordinates","176453","2020-10-21","18:00:00","" "7010236","14.592","0.002","8.6343","0.0009","22.013","0.002","90","","104.547","0.002","90","","2684.5","0.5","293","","293","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C26 H26.25 Br1.75 N6 O0.25 Pd -","- C26 H26 Br1.741 N6 O0.259 Pd -","- C104 H104 Br6.964 N24 O1.036 Pd4 -","4","1","","Baker, Murray V.; Skelton, Brian W.; White, Allan H.; Williams, Charlotte C.","Palladium carbene complexes derived from imidazolium-linked ortho-cyclophanes","Journal of the Chemical Society, Dalton Transactions","2001","","2","111","","10.1039/b007293l","","","0.71073","MoKα","","0.127","0.043","","0.051","","0.037","","","0.862","","","0.914","","","","has coordinates","176432","2020-10-21","18:00:00","" "7010237","12.76","0.001","8.7243","0.0008","22.027","0.002","90","","102.829","0.001","90","","2390.9","0.4","153","","153","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C24 H26 Cl2 N4 Ni O S -","- C24 H26 Cl2 N4 Ni O S -","- C96 H104 Cl8 N16 Ni4 O4 S4 -","4","1","","Baker, Murray V.; Skelton, Brian W.; White, Allan H.; Williams, Charlotte C.","Palladium carbene complexes derived from imidazolium-linked ortho-cyclophanes","Journal of the Chemical Society, Dalton Transactions","2001","","2","111","","10.1039/b007293l","","","0.71073","MoKα","","0.048","0.031","","0.039","","0.036","","","1.089","","","1.147","","","","has coordinates","176432","2020-10-21","18:00:00","" "7010238","10.38","0.001","8.981","0.001","25.693","0.003","90","","95.946","0.002","90","","2382.3","0.4","153","","153","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C22.5 H22 I2 N4 O0.5 Pd -","- C22.5 H21.5 I2 N4 O0.5 Pd -","- C90 H86 I8 N16 O2 Pd4 -","4","1","","Baker, Murray V.; Skelton, Brian W.; White, Allan H.; Williams, Charlotte C.","Palladium carbene complexes derived from imidazolium-linked ortho-cyclophanes","Journal of the Chemical Society, Dalton Transactions","2001","","2","111","","10.1039/b007293l","","","0.71073","MoKα","","0.032","0.031","","0.045","","0.044","","","1.248","","","1.259","","","","has coordinates","176432","2020-10-21","18:00:00","" "7010239","11.672","0.002","15.279","0.002","16.558","0.002","90","","102.283","0.002","90","","2885.3","0.7","293","","293","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C50 H58 I2 N14 O12 Pd -","- C50 H58 I2 N14 O12 Pd -","- C100 H116 I4 N28 O24 Pd2 -","2","0.5","","Baker, Murray V.; Skelton, Brian W.; White, Allan H.; Williams, Charlotte C.","Palladium carbene complexes derived from imidazolium-linked ortho-cyclophanes","Journal of the Chemical Society, Dalton Transactions","2001","","2","111","","10.1039/b007293l","","","0.71073","MoKα","","0.027","0.023","","0.033","","0.032","","","1.022","","","1.04","","","","has coordinates","176432","2020-10-21","18:00:00","" "7010240","11.207","0.003","13.3","0.003","15.434","0.003","90","","106.661","0.003","90","","2203.9","0.9","293","","293","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C19 H24 Br2 N4 O Pd -","- C19 H24 Br2 N4 O Pd -","- C76 H96 Br8 N16 O4 Pd4 -","4","1","","Baker, Murray V.; Skelton, Brian W.; White, Allan H.; Williams, Charlotte C.","Palladium carbene complexes derived from imidazolium-linked ortho-cyclophanes","Journal of the Chemical Society, Dalton Transactions","2001","","2","111","","10.1039/b007293l","","","0.71073","MoKα","","0.07","0.039","","0.051","","0.047","","","1.228","","","1.402","","","","has coordinates","176432","2020-10-21","18:00:00","" "7010241","12.269","0.0005","13.41","0.0006","12.429","0.0004","90","","95.998","0.002","90","","2033.71","0.14","293","2","293","2","","","","","","","synthesis as described","5","P 1 21 1","P 2yb","4","","[Al2(L-4)2Me4]","","- C34 H76 Al2 N6 O2 -","- C34 H76 Al2 N6 O2 -","- C68 H152 Al4 N12 O4 -","2","1","","Robson, David A.; Bylikin, Sergei Y.; Cantuel, Martine; Male, Nigel A. H.; Rees, Leigh H.; Mountford, Philip; Schröder, Martin","Neutral and cationic organometallic aluminium and indium complexes of mono-pendant arm triazacyclononane ligands","Journal of the Chemical Society, Dalton Transactions","2001","","2","157","","10.1039/b007323g","","","0.71073","MoKα","","0.0726","0.0691","","0.174","0.1677","","","","1.298","1.311","1.311","","","","","has coordinates","179806","2020-10-21","18:00:00","" "7010242","22.345","0.001","13.972","0.0004","10.634","0.0003","90","","90","","90","","3320","0.2","200","","200","","","","","","","","[AlMe3.py] + HL-4 in hexane.","5","P b c n","-P 2n 2ab","60","","[Al2(L-5)2Me4]","","- C26 H60 Al2 N6 O2 -","- C26 H60 Al2 N6 O2 -","- C104 H240 Al8 N24 O8 -","4","0.5","","Robson, David A.; Bylikin, Sergei Y.; Cantuel, Martine; Male, Nigel A. H.; Rees, Leigh H.; Mountford, Philip; Schröder, Martin","Neutral and cationic organometallic aluminium and indium complexes of mono-pendant arm triazacyclononane ligands","Journal of the Chemical Society, Dalton Transactions","2001","","2","157","","10.1039/b007323g","","","0.71069","MoKα","","","0.054","","","0.066","","","","","1.06","1.06","","","","","has coordinates","288252","2023-12-12","14:26:24","" "7010243","7.667","0.0006","11.463","0.0015","15.165","0.0013","70.965","0.005","88.397","0.005","78.458","0.006","1233.4","0.2","150","2","150","2","","","","","","","synthesis as described","5","P -1","-P 1","2","","[Al2{(L-4).AlMe3}Me2]","","- C20 H47 Al2 N3 O -","- C20 H47 Al2 N3 O -","- C40 H94 Al4 N6 O2 -","2","1","","Robson, David A.; Bylikin, Sergei Y.; Cantuel, Martine; Male, Nigel A. H.; Rees, Leigh H.; Mountford, Philip; Schröder, Martin","Neutral and cationic organometallic aluminium and indium complexes of mono-pendant arm triazacyclononane ligands","Journal of the Chemical Society, Dalton Transactions","2001","","2","157","","10.1039/b007323g","","","0.71073","MoKα","","0.0485","0.0409","","0.131","0.1179","","","","1.092","1.136","1.136","","","","","has coordinates","179806","2020-10-21","18:00:00","" "7010244","10.338","0.0006","13.956","0.0007","20.852","0.0011","90","","90","","90","","3008.5","0.3","293","2","150","2","","","","","","","synthesis as described","5","P 21 21 21","P 2ac 2ab","19","","[Al(L-2)Me2]","","- C29 H54 Al N3 O -","- C29 H54 Al N3 O -","- C116 H216 Al4 N12 O4 -","4","1","","Robson, David A.; Bylikin, Sergei Y.; Cantuel, Martine; Male, Nigel A. H.; Rees, Leigh H.; Mountford, Philip; Schröder, Martin","Neutral and cationic organometallic aluminium and indium complexes of mono-pendant arm triazacyclononane ligands","Journal of the Chemical Society, Dalton Transactions","2001","","2","157","","10.1039/b007323g","","","0.71073","MoKα","","0.0746","0.0715","","0.1466","0.1446","","","","1.41","1.421","1.421","","","","","has coordinates","179806","2020-10-21","18:00:00","" "7010251","15.541","0.004","21.235","0.003","14.199","0.004","90","","90","","90","","4685.9","1.9","296.2","","","","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C32 H38 B2 Cl4 Cr N12 O8 Yb -","- C32 H34 B2 Cl4 Cr N12 O8 Yb -","- C128 H136 B8 Cl16 Cr4 N48 O32 Yb4 -","4","1","","Subhan, Md. Abdus; Suzuki, Takayoshi; Kaizaki, Sumio","Stereospecific assembly of chiral Λ-Cr(III)-Δ-Ln(III)-oxalato-bridged dinuclear 3d‒4f complexes (Ln = Yb or Dy) and near infrared circular dichroism in the 4f→4f transitions","Journal of the Chemical Society, Dalton Transactions","2001","","4","492","","10.1039/b007369p","","","0.7107","MoKα","","","0.0765","","","","0.2428","","","","","","1.237","","","","has coordinates","176453","2020-10-21","18:00:00","" "7010252","14.826","0.003","13.285","0.002","17.139","0.002","90","","105.537","0.008","90","","3252.4","0.9","296.2","","296.2","","","","","","","","Prepared from YbCl~3~.6H~2~O, KHBpz~3~ (2 eq.) and 2-phenylbutyric acid in a mixture of ethanol and water containing KOH, recrystallized from a mixture of dichloromethane and hexane.","6","P 1 21 1","P 2yb","4","[Yb(HBpz~3~)~2~(S-pba)]","","","- C28 H31 B2 N12 O2 Yb -","- C28 H31 B2 N12 O2 Yb -","- C112 H124 B8 N48 O8 Yb4 -","4","2","","Subhan, Md. Abdus; Suzuki, Takayoshi; Kaizaki, Sumio","Stereospecific assembly of chiral Λ-Cr(III)-Δ-Ln(III)-oxalato-bridged dinuclear 3d‒4f complexes (Ln = Yb or Dy) and near infrared circular dichroism in the 4f→4f transitions","Journal of the Chemical Society, Dalton Transactions","2001","","4","492","","10.1039/b007369p","","","0.7107","MoKα","","0.0547","0.0276","","","0.0548","0.0605","","","","","","1.113","","","","has coordinates","179806","2020-10-21","18:00:00","" "7010260","40.4327","0.0002","10.9195","0.0002","17.5688","0.0003","90","","112.731","0.001","90","","7154.24","0.19","295","2","295","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C38.5 H31.5 Cl2 N3 O2 Os P -","- C38.5 H31.5 Cl2 N3 O2 Os P -","- C308 H252 Cl16 N24 O16 Os8 P8 -","8","1","","Majumder, Kanchana; Peng, Shie-Ming; Bhattacharya, Samaresh","Cyclometallation and NN bond cleavage of 2-(arylazo)phenols by osmium. Synthesis, structure and redox properties †","Journal of the Chemical Society, Dalton Transactions","2001","","3","284","","10.1039/b007486l","","","0.71073","MoKα","","0.0835","0.0564","","0.1456","0.1353","","","","1.021","1.117","1.117","","","","","has coordinates","176453","2020-10-21","18:00:00","" "7010261","12.2703","0.0002","19.1253","0.0001","19.2075","0.0003","90","","107.742","0.001","90","","4293.1","0.1","295","2","295","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C49 H39 Br Cl N2 O Os P2 -","- C49 H39 Br Cl N2 O Os P2 -","- C196 H156 Br4 Cl4 N8 O4 Os4 P8 -","4","1","","Majumder, Kanchana; Peng, Shie-Ming; Bhattacharya, Samaresh","Cyclometallation and NN bond cleavage of 2-(arylazo)phenols by osmium. Synthesis, structure and redox properties †","Journal of the Chemical Society, Dalton Transactions","2001","","3","284","","10.1039/b007486l","","","0.71073","MoKα","","0.0791","0.0571","","0.161","0.1494","","","","1.045","1.112","1.112","","","","","has coordinates","179806","2020-10-21","18:00:00","" "7010278","6.025","0.004","6.232","0.003","7.292","0.005","65.91","0.04","77.87","0.05","84.49","0.05","244.4","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C4 H8 Ag2 N4 S2 -","- C4 H8 Ag2 N4 S2 -","- C4 H8 Ag2 N4 S2 -","1","0.5","","Ren, Chun-Xia; Zhu, Hai-Liang; Yang, Guang; Chen, Xiao-Ming","Syntheses and crystal structures of five two-dimensional networks constructed from staircase-like silver(I) thiocyanate chains and bridging polyamines","Journal of the Chemical Society, Dalton Transactions","2001","","1","85","","10.1039/b007665l","","","0.71073","MoKα","","0.0552","0.0425","","","0.1103","0.1181","","","","","","1.074","","","","has coordinates","179806","2020-10-21","18:00:00","" "7010279","5.859","0.001","6.44","0.002","14.316","0.005","90","","94.52","0.01","90","","538.5","0.3","293","2","293","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C5 H10 Ag2 N4 S2 -","- C5 H10 Ag2 N4 S2 -","- C10 H20 Ag4 N8 S4 -","2","0.5","","Ren, Chun-Xia; Zhu, Hai-Liang; Yang, Guang; Chen, Xiao-Ming","Syntheses and crystal structures of five two-dimensional networks constructed from staircase-like silver(I) thiocyanate chains and bridging polyamines","Journal of the Chemical Society, Dalton Transactions","2001","","1","85","","10.1039/b007665l","","","0.71073","MoKα","","0.0615","0.0503","","","0.1364","0.1463","","","","","","1.022","","","","has coordinates","179806","2020-10-21","18:00:00","" "7010280","5.994","0.003","7.145","0.005","7.622","0.005","73.63","0.05","69.97","0.04","82.16","0.05","294","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C6 H12 Ag2 N4 S2 -","- C6 H12 Ag2 N4 S2 -","- C6 H12 Ag2 N4 S2 -","1","0.5","","Ren, Chun-Xia; Zhu, Hai-Liang; Yang, Guang; Chen, Xiao-Ming","Syntheses and crystal structures of five two-dimensional networks constructed from staircase-like silver(I) thiocyanate chains and bridging polyamines","Journal of the Chemical Society, Dalton Transactions","2001","","1","85","","10.1039/b007665l","","","0.71073","MoKα","","0.0799","0.06","","","0.16","0.1745","","","","","","1.065","","","","has coordinates","179806","2020-10-21","18:00:00","" "7010281","5.991","0.001","6.875","0.002","16.187","0.004","85.56","0.05","82.65","0.04","80.71","0.04","651.5","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C7 H14 Ag2 N4 S2 -","- C7 H14 Ag2 N4 S2 -","- C14 H28 Ag4 N8 S4 -","2","1","","Ren, Chun-Xia; Zhu, Hai-Liang; Yang, Guang; Chen, Xiao-Ming","Syntheses and crystal structures of five two-dimensional networks constructed from staircase-like silver(I) thiocyanate chains and bridging polyamines","Journal of the Chemical Society, Dalton Transactions","2001","","1","85","","10.1039/b007665l","","","0.71073","MoKα","","0.0772","0.0464","","","0.1105","0.124","","","","","","1.044","","","","has coordinates","179806","2020-10-21","18:00:00","" "7010282","8.857","0.001","9.86","0.004","12.63","0.005","70.21","0.06","76.11","0.05","82.01","0.05","1005.5","0.7","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C11 H22 Ag3 N7 S3 -","- C11 H22 Ag3 N7 S3 -","- C22 H44 Ag6 N14 S6 -","2","1","","Ren, Chun-Xia; Zhu, Hai-Liang; Yang, Guang; Chen, Xiao-Ming","Syntheses and crystal structures of five two-dimensional networks constructed from staircase-like silver(I) thiocyanate chains and bridging polyamines","Journal of the Chemical Society, Dalton Transactions","2001","","1","85","","10.1039/b007665l","","","0.71073","MoKα","","0.0812","0.0538","","","0.1439","0.1596","","","","","","1.044","","","","has coordinates","179806","2020-10-21","18:00:00","" "7010283","12.009","0.003","12.415","0.003","24.278","0.005","90","","91.74","0.02","90","","3618","1.5","150","2","150","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C32 H44 Cl N4 O7.5 P2 Pt -","- C32 H41 Cl N4 O7.5 P2 Pt -","- C128 H164 Cl4 N16 O30 P8 Pt4 -","4","1","","Habtemariam, Abraha; Parkinson, John A.; Margiotta, Nicola; Hambley, Trevor W.; Parsons, Simon; Sadler, Peter J.","Structure and dynamics of a platinum(II) aminophosphine complex and its nucleobase adducts","Journal of the Chemical Society, Dalton Transactions","2001","","4","362","","10.1039/b007670h","","","0.71073","MoKα","","0.0625","0.04","","","0.0792","0.0874","","","","","","1.041","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00","" "7010284","9.7619","0.0003","9.7619","0.0003","9.7619","0.0003","90.02","0.03","90.02","0.03","90.02","0.03","930.26","0.05","203","2","203","2","","","","","","","","5","P -1","-P 1","2","","","","- C42 H42 Cl2 Cu2 P2 -","- C39.69 H39.69 Cl2 Cu2 P2 -","- C39.69 H39.69 Cl2 Cu2 P2 -","1","0.5","","Ainscough, Eric W.; Brodie, Andrew M.; Burrell, Anthony K.; Freeman, Graham H.; Jameson, Geoffrey B.; Bowmaker, Graham A.; Hanna, John V.; Healy, Peter C.","Structural and spectroscopic studies on three- and two-co-ordinate copper(I) halide tribenzylphosphine complexes","Journal of the Chemical Society, Dalton Transactions","2001","","2","144","","10.1039/b007698h","","","0.71073","MoKα","","0.0924","0.0894","","","0.2397","0.2428","","","","","","1.05","","","","has coordinates","179806","2020-10-21","18:00:00","" "7010285","10.001","0.002","14.529","0.003","26.33","0.005","90","","94.68","0.03","90","","3813.1","1.3","291","2","291","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C42 H42 Cu I P2 -","- C42 H42 Cu I P2 -","- C168 H168 Cu4 I4 P8 -","4","1","","Ainscough, Eric W.; Brodie, Andrew M.; Burrell, Anthony K.; Freeman, Graham H.; Jameson, Geoffrey B.; Bowmaker, Graham A.; Hanna, John V.; Healy, Peter C.","Structural and spectroscopic studies on three- and two-co-ordinate copper(I) halide tribenzylphosphine complexes","Journal of the Chemical Society, Dalton Transactions","2001","","2","144","","10.1039/b007698h","","","0.71073","MoKα","","0.086","0.0409","","","0.1027","0.1202","","","","","","0.969","","","","has coordinates","179806","2020-10-21","18:00:00","" "7010286","22.7747","0.0004","14.4082","0.0002","23.4308","0.0005","90","","100.986","0.001","90","","7547.7","0.2","291","2","291","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C42 H42 Br Cu P2 -","- C42 H42 Br Cu P2 -","- C336 H336 Br8 Cu8 P16 -","8","2","","Ainscough, Eric W.; Brodie, Andrew M.; Burrell, Anthony K.; Freeman, Graham H.; Jameson, Geoffrey B.; Bowmaker, Graham A.; Hanna, John V.; Healy, Peter C.","Structural and spectroscopic studies on three- and two-co-ordinate copper(I) halide tribenzylphosphine complexes","Journal of the Chemical Society, Dalton Transactions","2001","","2","144","","10.1039/b007698h","","","0.71073","MoKα","","0.0668","0.0388","","","0.0776","0.0938","","","","","","1.069","","","","has coordinates","179806","2020-10-21","18:00:00","" "7010287","25.4813","0.0003","12.2113","0.0001","25.1532","0.0003","90","","109.571","0.001","90","","7374.5","0.14","291","2","291","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C42 H42 Cl Cu P2 -","- C42 H42 Cl Cu P2 -","- C336 H336 Cl8 Cu8 P16 -","8","1","","Ainscough, Eric W.; Brodie, Andrew M.; Burrell, Anthony K.; Freeman, Graham H.; Jameson, Geoffrey B.; Bowmaker, Graham A.; Hanna, John V.; Healy, Peter C.","Structural and spectroscopic studies on three- and two-co-ordinate copper(I) halide tribenzylphosphine complexes","Journal of the Chemical Society, Dalton Transactions","2001","","2","144","","10.1039/b007698h","","","0.71073","MoKα","","0.0406","0.0324","","","0.0829","0.0895","","","","","","1.022","","","","has coordinates","179806","2020-10-21","18:00:00","" "7010288","9.902","0.003","10.432","0.004","14.326","0.005","94.71","0.005","97.485","0.004","95.759","0.005","1453","0.9","163","2","163","2","","","","","","","","5","P -1","-P 1","2","","","","- C33 H33 Cl Cu P -","- C33 H33 Cl Cu P -","- C66 H66 Cl2 Cu2 P2 -","2","1","","Ainscough, Eric W.; Brodie, Andrew M.; Burrell, Anthony K.; Freeman, Graham H.; Jameson, Geoffrey B.; Bowmaker, Graham A.; Hanna, John V.; Healy, Peter C.","Structural and spectroscopic studies on three- and two-co-ordinate copper(I) halide tribenzylphosphine complexes","Journal of the Chemical Society, Dalton Transactions","2001","","2","144","","10.1039/b007698h","","","0.71073","MoKα","","0.0933","0.0502","","","0.1018","0.1187","","","","","","1.009","","","","has coordinates","179806","2020-10-21","18:00:00","" "7010289","12.4953","0.0004","13.3274","0.0004","21.7824","0.0006","91.191","0.001","95.306","0.001","118.23","0.001","3173.65","0.17","200","2","200","2","","","","","","","","6","P -1","-P 1","2","","mu-sulphatotetrakis(triphenylphosphine)disilver(I) dihydrate","","- C72 H64 Ag2 O6 P4 S -","- C74 H62 Ag2 O4 P4 S -","- C148 H124 Ag4 O8 P8 S2 -","2","1","","Bowmaker, Graham A.; Hanna, John V.; Rickard, Clifton E. F.; Lipton, Andrew S.","Crystal structures and vibrational and solid-state (CPMAS) NMR spectroscopy of some bis(triphenylphosphine)silver(I) sulfate, selenate and phosphate systems","Journal of the Chemical Society, Dalton Transactions","2001","","1","20","","10.1039/b007796h","","","0.71073","MoKα","","0.058","0.0478","","","0.1198","0.1247","","","","","","1.14","","","","has coordinates","179806","2020-10-21","18:00:00","" "7010290","12.4645","0.0001","13.264","","21.8589","0.0001","91.506","0.001","95.25","0.001","117.95","","3169.14","0.03","200","2","200","2","","","","","","","","6","P -1","-P 1","2","","mu-selenatotetra(triphenylphosphine)disilver(I)","","- C72 H64 Ag2 O6 P4 Se -","- C72 H64 Ag2 O6 P4 Se -","- C144 H128 Ag4 O12 P8 Se2 -","2","1","","Bowmaker, Graham A.; Hanna, John V.; Rickard, Clifton E. F.; Lipton, Andrew S.","Crystal structures and vibrational and solid-state (CPMAS) NMR spectroscopy of some bis(triphenylphosphine)silver(I) sulfate, selenate and phosphate systems","Journal of the Chemical Society, Dalton Transactions","2001","","1","20","","10.1039/b007796h","","","0.71073","MoKα","","0.0263","0.0217","","","0.0527","0.0546","","","","","","1.039","","","","has coordinates","179806","2020-10-21","18:00:00","" "7010291","12.5842","0.0001","13.2668","0.0001","24.3057","0.0003","92.918","0.001","103.536","0.001","118.023","0.001","3420.91","0.07","200","2","200","2","","","","","","","","6","P -1","-P 1","2","","","","- C36 H33 Ag O5 P2 S -","- C36 H33 Ag O5 P2 S -","- C144 H132 Ag4 O20 P8 S4 -","4","2","","Bowmaker, Graham A.; Hanna, John V.; Rickard, Clifton E. F.; Lipton, Andrew S.","Crystal structures and vibrational and solid-state (CPMAS) NMR spectroscopy of some bis(triphenylphosphine)silver(I) sulfate, selenate and phosphate systems","Journal of the Chemical Society, Dalton Transactions","2001","","1","20","","10.1039/b007796h","","","0.71073","MoKα","","0.0442","0.0343","","","0.0825","0.0889","","","","","","1.039","","","","has coordinates","179806","2020-10-21","18:00:00","" "7010292","12.5358","0.0002","13.258","0.0002","24.5566","0.0002","104.387","0.001","91.676","0.001","117.404","0.001","3460.39","0.09","200","2","200","2","","","","","","","","6","P -1","-P 1","2","","","","- C36 H33 Ag O5 P2 Se -","- C36 H33 Ag O5 P2 Se -","- C144 H132 Ag4 O20 P8 Se4 -","4","2","","Bowmaker, Graham A.; Hanna, John V.; Rickard, Clifton E. F.; Lipton, Andrew S.","Crystal structures and vibrational and solid-state (CPMAS) NMR spectroscopy of some bis(triphenylphosphine)silver(I) sulfate, selenate and phosphate systems","Journal of the Chemical Society, Dalton Transactions","2001","","1","20","","10.1039/b007796h","","","0.71073","MoKα","","0.071","0.0568","","","0.1167","0.1232","","","","","","1.169","","","","has coordinates","179806","2020-10-21","18:00:00","" "7010293","10.1097","0.0001","13.1121","0.0001","16.0073","0.0001","73.1","","77.555","0.001","78.889","0.001","1963.27","0.03","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","Phosphatobis(triphenylphosphine)silver(I). 2Ethanol solvate","","- C40 H44 Ag O6 P3 -","- C40 H44 Ag O6 P3 -","- C80 H88 Ag2 O12 P6 -","2","1","","Bowmaker, Graham A.; Hanna, John V.; Rickard, Clifton E. F.; Lipton, Andrew S.","Crystal structures and vibrational and solid-state (CPMAS) NMR spectroscopy of some bis(triphenylphosphine)silver(I) sulfate, selenate and phosphate systems","Journal of the Chemical Society, Dalton Transactions","2001","","1","20","","10.1039/b007796h","","","0.71073","MoKα","","0.0274","0.0236","","","0.0627","0.0646","","","","","","1.017","","","","has coordinates","179806","2020-10-21","18:00:00","" "7010296","16.2103","0.0014","17.7707","0.0016","17.6211","0.0013","90","","108.247","0.002","90","","4820.8","0.7","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C34.67 H25.33 N1.33 O8 Tb1.33 -","- C34.6667 H25.3333 N1.33333 O8 Tb1.33333 -","- C208 H152 N8 O48 Tb8 -","6","0.75","","Seward, Corey; Hu, Nan-Xing; Wang, Suning","1-D Chain and 3-D grid green luminescent terbium(III) coordination polymers: {Tb(O2CPh)3(CH3OH)2(H2O)}n and {Tb2(O2CPh)6(4,4'-bipy)}n","Journal of the Chemical Society, Dalton Transactions","2001","","2","134","","10.1039/b007866m","","","0.71073","MoKα","","0.0677","0.0356","","","0.0708","0.0763","","","","","","0.812","","","","has coordinates","179806","2020-10-21","18:00:00","" "7010297","8.8547","0.0016","9.8709","0.0016","14.718","0.003","92.62","0.003","95.352","0.003","113.621","0.003","1168.6","0.4","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C23 H25 O9 Tb -","- C23 H25 O9 Tb -","- C46 H50 O18 Tb2 -","2","1","","Seward, Corey; Hu, Nan-Xing; Wang, Suning","1-D Chain and 3-D grid green luminescent terbium(III) coordination polymers: {Tb(O2CPh)3(CH3OH)2(H2O)}n and {Tb2(O2CPh)6(4,4'-bipy)}n","Journal of the Chemical Society, Dalton Transactions","2001","","2","134","","10.1039/b007866m","","","0.71073","MoKα","","0.0385","0.0275","","","0.0482","0.0501","","","","","","0.869","","","","has coordinates","179806","2020-10-21","18:00:00","" "7010298","35.844","0.0003","14.3432","0.0003","33.9877","0.0007","90","","95.806","0.001","90","","17384","0.5","293","2","293","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C81.25 H76.5 Cl6.75 Cu3 F6 O3 P7 S2 -","- C81.25 H73 Cl6.75 Cu3 F6 O3 P7 S2 -","- C650 H584 Cl54 Cu24 F48 O24 P56 S16 -","8","1","","Deivaraj, Theivanayagam C.; Vittal, Jagadese J.","Synthesis, structures and 31P NMR studies of bis(diphenylphosphino)methane adducts of copper and silver thiocarboxylates †","Journal of the Chemical Society, Dalton Transactions","2001","","3","322","","10.1039/b007867k","","","0.71073","MoKα","","0.1215","0.0866","","","0.2054","0.2269","","","","","","1.085","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00","" "7010299","13.9558","0.0001","15.9713","0.0002","20.6451","0.0003","82.647","0.001","85.295","0.001","83.44","0.001","4523.29","0.09","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C91 H78 Cl7 Cu3 O6 P6 S2 -","- C91 H78 Cl7 Cu3 O6 P6 S2 -","- C182 H156 Cl14 Cu6 O12 P12 S4 -","2","1","","Deivaraj, Theivanayagam C.; Vittal, Jagadese J.","Synthesis, structures and 31P NMR studies of bis(diphenylphosphino)methane adducts of copper and silver thiocarboxylates †","Journal of the Chemical Society, Dalton Transactions","2001","","3","322","","10.1039/b007867k","","","0.71073","MoKα","","0.1179","0.0784","","","0.1771","0.2023","","","","","","1.043","","","","has coordinates,has disorder","179806","2020-10-21","18:00:00","" "7010300","15.253","0.0002","26.877","0.0003","19.31","0.0001","90","","107.455","0.001","90","","7551.71","0.14","293","2","293","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C79 H72 Ag3 N O5 P6 S2 -","- C79 H72 Ag3 N O5 P6 S2 -","- C316 H288 Ag12 N4 O20 P24 S8 -","4","1","","Deivaraj, Theivanayagam C.; Vittal, Jagadese J.","Synthesis, structures and 31P NMR studies of bis(diphenylphosphino)methane adducts of copper and silver thiocarboxylates †","Journal of the Chemical Society, Dalton Transactions","2001","","3","322","","10.1039/b007867k","","","0.71073","MoKα","","0.0805","0.06","","","0.1329","0.144","","","","","","1.056","","","","has coordinates,has disorder","179807","2020-10-21","18:00:00","" "7010301","19.8545","0.0008","25.3496","0.001","17.8933","0.0007","90","","102.325","0.001","90","","8798.2","0.6","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C90 H78 Ag3 Cl3 O6 P6 S2 -","- C90 H77 Ag3 Cl3 O6 P6 S2 -","- C360 H308 Ag12 Cl12 O24 P24 S8 -","4","1","","Deivaraj, Theivanayagam C.; Vittal, Jagadese J.","Synthesis, structures and 31P NMR studies of bis(diphenylphosphino)methane adducts of copper and silver thiocarboxylates †","Journal of the Chemical Society, Dalton Transactions","2001","","3","322","","10.1039/b007867k","","","0.71073","MoKα","","0.1229","0.0863","","","0.1998","0.2213","","","","","","1.094","","","","has coordinates,has disorder","179807","2020-10-21","18:00:00","" "7010302","9.9454","0.0001","15.1386","0.0001","15.9841","0.0001","90","","93.614","0.001","90","","2401.77","0.03","213","2","213","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C16 H36 Cl2 N4 P2 Ti -","- C16 H36 Cl2 N4 P2 Ti -","- C64 H144 Cl8 N16 P8 Ti4 -","4","1","","Moser, Daniel F.; Carrow, Christopher J.; Stahl, Lothar; Staples, Richard J.","Titanium complexes of bis(1°-amido)cyclodiphosph(III)azanes and bis(1°-amido)cyclodiphosph(V)azanes: facial versus lateral coordination †","Journal of the Chemical Society, Dalton Transactions","2001","","8","1246","","10.1039/b007877h","","","0.71073","MoKα","","0.0511","0.0404","","","0.083","0.0886","","","","","","1.118","","","","has coordinates","179807","2020-10-21","18:00:00","" "7010303","9.882","0.002","10.931","0.002","18.481","0.004","89.14","0.03","78.07","0.03","68.42","0.03","1812.2","0.8","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C32 H56 N6 O P2 -","- C31.962 H56.666 N6 O P2 -","- C63.924 H113.332 N12 O2 P4 -","2","1","","Moser, Daniel F.; Carrow, Christopher J.; Stahl, Lothar; Staples, Richard J.","Titanium complexes of bis(1°-amido)cyclodiphosph(III)azanes and bis(1°-amido)cyclodiphosph(V)azanes: facial versus lateral coordination †","Journal of the Chemical Society, Dalton Transactions","2001","","8","1246","","10.1039/b007877h","","","0.71073","MoKα","","0.1414","0.1051","","","0.2203","0.2424","","","","","","1.122","","","","has coordinates,has disorder","179807","2020-10-21","18:00:00","" "7010304","12.144","0.003","20.5351","0.0018","13.4541","0.0012","90","","90.838","0.011","90","","3354.8","0.9","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C30 H52 N6 P2 -","- C30.039 H52.417 N6 P2 -","- C120.156 H209.668 N24 P8 -","4","1","","Moser, Daniel F.; Carrow, Christopher J.; Stahl, Lothar; Staples, Richard J.","Titanium complexes of bis(1°-amido)cyclodiphosph(III)azanes and bis(1°-amido)cyclodiphosph(V)azanes: facial versus lateral coordination †","Journal of the Chemical Society, Dalton Transactions","2001","","8","1246","","10.1039/b007877h","","","0.71073","MoKα","","0.0762","0.0501","","","0.1328","0.1526","","","","","","1.043","","","","has coordinates,has disorder","179807","2020-10-21","18:00:00","" "7010305","10.594","0.001","24.816","0.003","14.361","0.002","90","","97.151","0.004","90","","3746.1","0.8","213","2","213","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C31.5 H51 Cl3 N6 P2 Ti -","- C31 H50 Cl3 N6 P2 Ti -","- C124 H200 Cl12 N24 P8 Ti4 -","4","1","","Moser, Daniel F.; Carrow, Christopher J.; Stahl, Lothar; Staples, Richard J.","Titanium complexes of bis(1°-amido)cyclodiphosph(III)azanes and bis(1°-amido)cyclodiphosph(V)azanes: facial versus lateral coordination †","Journal of the Chemical Society, Dalton Transactions","2001","","8","1246","","10.1039/b007877h","","","0.71073","MoKα","","0.1296","0.0504","","","0.0913","0.1065","","","","","","1.02","","","","has coordinates","179807","2020-10-21","18:00:00","" "7010306","9.1295","0.001","13.4498","0.0014","14.1424","0.0014","90","","94.488","0.009","90","","1731.2","0.3","293","2","293","2","","","","","","","","7","P 1 21/m 1","-P 2yb","11","","","","- C23 H45 Cl3 N4 P2 S2 Ti -","- C23 H37 Cl3 N4 P2 S2 Ti -","- C46 H74 Cl6 N8 P4 S4 Ti2 -","2","0.5","","Moser, Daniel F.; Carrow, Christopher J.; Stahl, Lothar; Staples, Richard J.","Titanium complexes of bis(1°-amido)cyclodiphosph(III)azanes and bis(1°-amido)cyclodiphosph(V)azanes: facial versus lateral coordination †","Journal of the Chemical Society, Dalton Transactions","2001","","8","1246","","10.1039/b007877h","","","0.71073","MoKα","","0.0684","0.048","","","0.1279","0.139","","","","","","1.084","","","","has coordinates","179807","2020-10-21","18:00:00","" "7010307","9.108","0.001","13.416","0.002","14.113","0.002","90","","94.208","0.003","90","","1719.9","0.4","213","2","213","2","","","","","","","","7","P 1 21/m 1","-P 2yb","11","","","","- C23 H45 Cl3 N4 P2 Se2 Ti -","- C23 H46 Cl3 N4 P2 Se2 Ti -","- C46 H92 Cl6 N8 P4 Se4 Ti2 -","2","0.5","","Moser, Daniel F.; Carrow, Christopher J.; Stahl, Lothar; Staples, Richard J.","Titanium complexes of bis(1°-amido)cyclodiphosph(III)azanes and bis(1°-amido)cyclodiphosph(V)azanes: facial versus lateral coordination †","Journal of the Chemical Society, Dalton Transactions","2001","","8","1246","","10.1039/b007877h","","","0.71073","MoKα","","0.0477","0.0336","","","0.0908","0.0975","","","","","","1.044","","","","has coordinates","179807","2020-10-21","18:00:00","" "7010309","7.4864","0.0001","12.7386","0.0003","12.7471","0.0003","84.1284","0.001","87.0347","0.0012","88.4322","0.001","1207.35","0.04","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C16 H36 Cl2 Co N4 O4 -","- C16 H36 Cl2 Co N4 O4 -","- C32 H72 Cl4 Co2 N8 O8 -","2","1","","Hierso, Jean-Cyrille; Bouwman, Elisabeth; Ellis, Dianne D.; Pérez Cabero, Mónica; Reedijk, Jan; Spek, Anthony L.","Cobalt(II) aldoxime complexes stabilised by halide hydrogen bonding: crystal structures of [Co{HONC(H)(Me)}4X2] (X = Cl or Br) and [Co{HONC(H)(Pr)}4Cl2]","Journal of the Chemical Society, Dalton Transactions","2001","","2","197","","10.1039/b007919g","","","0.71073","MoKα","","0.0365","0.0294","","","0.0694","0.0727","","","","","","1.032","","","","has coordinates","179807","2020-10-21","18:00:00","" "7010310","7.4892","0.0002","7.705","0.0003","8.6242","0.0003","100.66","0.0014","115.372","0.0019","107.584","0.002","399.06","0.03","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C8 H20 Cl2 Co N4 O4 -","- C8 H20 Cl2 Co N4 O4 -","- C8 H20 Cl2 Co N4 O4 -","1","0.5","","Hierso, Jean-Cyrille; Bouwman, Elisabeth; Ellis, Dianne D.; Pérez Cabero, Mónica; Reedijk, Jan; Spek, Anthony L.","Cobalt(II) aldoxime complexes stabilised by halide hydrogen bonding: crystal structures of [Co{HONC(H)(Me)}4X2] (X = Cl or Br) and [Co{HONC(H)(Pr)}4Cl2]","Journal of the Chemical Society, Dalton Transactions","2001","","2","197","","10.1039/b007919g","","","0.71073","MoKα","","0.0332","0.0279","","","0.0658","0.0684","","","","","","1.044","","","","has coordinates","179807","2020-10-21","18:00:00","" "7010311","7.5824","0.0002","12.1368","0.0004","9.2141","0.0003","90","","94.7954","0.0017","90","","844.97","0.05","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C8 H20 Br2 Co N4 O4 -","- C8 H20 Br2 Co N4 O4 -","- C16 H40 Br4 Co2 N8 O8 -","2","0.5","","Hierso, Jean-Cyrille; Bouwman, Elisabeth; Ellis, Dianne D.; Pérez Cabero, Mónica; Reedijk, Jan; Spek, Anthony L.","Cobalt(II) aldoxime complexes stabilised by halide hydrogen bonding: crystal structures of [Co{HONC(H)(Me)}4X2] (X = Cl or Br) and [Co{HONC(H)(Pr)}4Cl2]","Journal of the Chemical Society, Dalton Transactions","2001","","2","197","","10.1039/b007919g","","","0.71073","MoKα","","0.034","0.0287","","","0.0676","0.0701","","","","","","1.053","","","","has coordinates","179807","2020-10-21","18:00:00","" "7010312","15.4207","0.0014","9.2306","0.0007","18.5641","0.0016","90","","90","","90","","2642.5","0.4","173","2","173","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","Tris(isopropoxy)stibane","","- C9 H21 O3 Sb -","- C9 H21 O3 Sb -","- C72 H168 O24 Sb8 -","8","1","","Fleischer, Holger; Bayram, Hatice; Elzner, Stephan; Mitzel, Norbert W.","Experimental and theoretical studies of the molecular and crystal structures of trialkoxy- and chlorodialkoxy-stibanes †","Journal of the Chemical Society, Dalton Transactions","2001","","4","373","","10.1039/b007926j","","","0.71073","MoKα","","0.0509","0.032","","","0.0815","0.0881","","","","","","1.058","","","","has coordinates","202017","2020-10-21","18:00:00","" "7010313","17.035","0.002","14.884","0.002","8.065","0.001","90","","93.08","0.01","90","","2041.9","0.4","143","2","143","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Chloro-bis(isopropoxy)stibane-Dimer","","- C6 H14 Cl O2 Sb -","- C6 H14 Cl O2 Sb -","- C48 H112 Cl8 O16 Sb8 -","8","1","","Fleischer, Holger; Bayram, Hatice; Elzner, Stephan; Mitzel, Norbert W.","Experimental and theoretical studies of the molecular and crystal structures of trialkoxy- and chlorodialkoxy-stibanes †","Journal of the Chemical Society, Dalton Transactions","2001","","4","373","","10.1039/b007926j","","","0.71073","MoKα","","0.0256","0.0208","","","0.0506","0.0529","","","","","","1.029","","","","has coordinates","179807","2020-10-21","18:00:00","" "7010314","10.937","0.004","13.32","0.004","9.628","0.003","97.17","0.03","114.87","0.02","99.74","0.03","1223.7","0.8","225.7","","","","","","","","","","","5","P -1","-P 1","2","","","","- C62 H38 Cl2 Fe N8 -","- C62 H38 Cl2 Fe N8 -","- C62 H38 Cl2 Fe N8 -","1","0.5","","Mikami, Shinji; Sugiura, Ken-ichi; Maruta, Tatsuo; Maeda, Yonezo; Ohba, Masaaki; Usuki, Naoki; Ōkawa, Hisashi; Akutagawa, Tomoyuki; Nisihara, Sadafumi; Nakamura, Takayoshi; Iwasaki, Kentaro; Miyazaki, Nobuyuki; Hino, Shojun; Asato, Eiji; Miller, Joel S.; Sakata, Yoshiteru","Structure, optical and magnetic behaviour of meso-tetraphenylporphyrinatoiron(III) tetracyanoethenide, [FeIII(TPP)]+[TCNE]˙− †","Journal of the Chemical Society, Dalton Transactions","2001","","4","448","","10.1039/b007931f","","","0.7107","MoKα","","","0.0593","","","","0.0908","","","","","","1.852","","","","has coordinates","176453","2020-10-21","18:00:00","" "7010315","10.7346","0.0002","14.3998","0.0003","20.3434","0.0002","90","","90","","90","","3144.6","0.09","293","2","293","2","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C31 H38 Cl N2 O4 P Pd S -","- C31 H38 Cl N2 O4 P Pd S -","- C124 H152 Cl4 N8 O16 P4 Pd4 S4 -","4","1","","Leung, Pak-Hing; Qin, Ying; He, Guosen; Mok, K. F.; Vittal, Jagadese J.","Coordination chemistry, reactivities, and stereoelectronic properties of chelating phosphine ligands containing thioamide substituents","Journal of the Chemical Society, Dalton Transactions","2001","","3","309","","10.1039/b007970g","","","0.71073","MoKα","","0.0482","0.0379","","0.1025","0.0891","","","","1.045","1.052","1.052","","","","","has coordinates","179807","2020-10-21","18:00:00","" "7010316","12.5862","0.0004","22.6849","0.0007","23.3035","0.0007","90","","90","","90","","6653.5","0.4","293","2","293","2","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C33 H43 Cl N2 O0.5 P Pd S -","- C33 H43 Cl N2 O0.5 P Pd S -","- C264 H344 Cl8 N16 O4 P8 Pd8 S8 -","8","2","","Leung, Pak-Hing; Qin, Ying; He, Guosen; Mok, K. F.; Vittal, Jagadese J.","Coordination chemistry, reactivities, and stereoelectronic properties of chelating phosphine ligands containing thioamide substituents","Journal of the Chemical Society, Dalton Transactions","2001","","3","309","","10.1039/b007970g","","","0.71073","MoKα","","0.0548","0.0362","","0.0805","0.0716","","","","1.06","1.044","1.044","","","","","has coordinates","176453","2020-10-21","18:00:00","" "7010317","10.1583","0.0002","12.3121","0.0002","14.4431","0.0002","90","","98.122","0.001","90","","1788.28","0.05","293","2","293","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C15 H16 Cl2 N P Pd S -","- C15 H16 Cl2 N P Pd S -","- C60 H64 Cl8 N4 P4 Pd4 S4 -","4","1","","Leung, Pak-Hing; Qin, Ying; He, Guosen; Mok, K. F.; Vittal, Jagadese J.","Coordination chemistry, reactivities, and stereoelectronic properties of chelating phosphine ligands containing thioamide substituents","Journal of the Chemical Society, Dalton Transactions","2001","","3","309","","10.1039/b007970g","","","0.71073","MoKα","","0.0433","0.0291","","","0.0618","0.0658","","","","","","1.019","","","","has coordinates","179807","2020-10-21","18:00:00","" "7010322","9.5224","0.0004","7.3091","0.0005","11.3341","0.0008","90","","96.213","0.003","90","","784.22","0.08","293","2","293","2","","","","","","","-","4","P 1 21/c 1","-P 2ybc","14","","","","- C12 H10 P2 Se4 -","- C12 H10 P2 Se4 -","- C24 H20 P4 Se8 -","2","0.5","","Bhattacharyya, Pravat; Slawin, Alexandra M. Z.; Woollins, J. Derek","Heterocycle formation using [PhP(Se)(μ-Se)]2. The crystal structures of [PhP(Se)(μ-Se)]2, PhP(Se)Se2(C7H10) and PhP(Se)(μ-Se)(μ-NPh)P(Se)Ph","Journal of the Chemical Society, Dalton Transactions","2001","","3","300","","10.1039/b008071n","","","0.71073","MoKα","","0.0793","0.0447","","0.1493","0.1132","","","","0.868","0.93","0.93","","","","","has coordinates","179807","2020-10-21","18:00:00","" "7010323","17.3773","0.0007","6.6669","0.0002","12.9445","0.0005","90","","101.237","0.001","90","","1470.91","0.09","293","2","293","2","","","","","","","-","4","P 1 21/c 1","-P 2ybc","14","","","","- C13 H15 P Se3 -","- C13 H15 P Se3 -","- C52 H60 P4 Se12 -","4","1","","Bhattacharyya, Pravat; Slawin, Alexandra M. Z.; Woollins, J. Derek","Heterocycle formation using [PhP(Se)(μ-Se)]2. The crystal structures of [PhP(Se)(μ-Se)]2, PhP(Se)Se2(C7H10) and PhP(Se)(μ-Se)(μ-NPh)P(Se)Ph","Journal of the Chemical Society, Dalton Transactions","2001","","3","300","","10.1039/b008071n","","","0.71073","MoKα","","0.0669","0.0364","","0.0961","0.0761","","","","0.888","0.942","0.942","","","","","has coordinates","179807","2020-10-21","18:00:00","" "7010324","9.6859","0.0001","16.2944","0.0003","13.3506","0.0001","90","","108.456","0.001","90","","1998.7","0.05","293","2","293","2","","","","","","","-","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H15 N P2 Se3 -","- C18 H15 N P2 Se3 -","- C72 H60 N4 P8 Se12 -","4","1","","Bhattacharyya, Pravat; Slawin, Alexandra M. Z.; Woollins, J. Derek","Heterocycle formation using [PhP(Se)(μ-Se)]2. The crystal structures of [PhP(Se)(μ-Se)]2, PhP(Se)Se2(C7H10) and PhP(Se)(μ-Se)(μ-NPh)P(Se)Ph","Journal of the Chemical Society, Dalton Transactions","2001","","3","300","","10.1039/b008071n","","","0.71073","MoKα","","0.0481","0.0288","","0.0692","0.0634","","","","1.011","1.075","1.075","","","","","has coordinates","179807","2020-10-21","18:00:00","" "7010325","13.541","0.003","13.541","0.003","19.136","0.005","90","","90","","120","","3038.7","1.2","233","2","233","2","","","","","","","","6","P 63/m","-P 6c","176","","Hexakis(O,O'-μ-benzoate)(μ3-oxo)tris(pyridine)triiron(III) perchlorate pyridine solvate","","- C62 H50 Cl Fe3 N4 O17 -","- C61.98 H49.98 Cl Fe3 N4.02 O17.02 -","- C123.96 H99.96 Cl2 Fe6 N8.04 O34.04 -","2","0.166667","","Sowrey, Frank E.; Tilford, Claire; Wocadlo, Sigrid; Anson, Christopher E.; Powell, Annie K.; Bennington, Stephen M.; Montfrooij, Wouter; Jayasooriya, Upali A.; Cannon, Roderick D.","Spin frustration and concealed asymmetry: structure and magnetic spectrum of [Fe3O(O2CPh)6(py)3]ClO4·py †","Journal of the Chemical Society, Dalton Transactions","2001","","6","862","","10.1039/b008121n","","","0.71069","MoKα","","0.1241","0.0429","","","0.0993","0.1207","","","","","","1.006","","","","has coordinates,has disorder","213973","2020-10-21","18:00:00","" "7010326","10.5292","0.0007","17.6999","0.0009","21.1898","0.0014","90","","98.93","0.008","90","","3901.2","0.4","123","2","123","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Tetrakis(tetraamminelithium)nonastannide-ammonia(1/1)","","- H51 Li4 N17 Sn9 -","- H51 Li4 N17 Sn9 -","- H204 Li16 N68 Sn36 -","4","1","","Korber, Nikolaus; Fleischmann, Andrea","Synthesis and crystal structure of [Li(NH3)4]4[Sn9]·NH3 and [Li(NH3)4]4[Pb9]·NH3 †","Journal of the Chemical Society, Dalton Transactions","2001","","4","383","","10.1039/b008123j","","","0.71073","MoKα","","0.0641","0.0329","","","0.0518","0.0568","","","","","","0.673","","","","has coordinates","179807","2020-10-21","18:00:00","" "7010327","10.6109","0.0008","17.8636","0.0009","21.4144","0.0016","90","","99.046","0.009","90","","4008.6","0.5","123","2","123","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Tetrakis(tetraamminelithium)nonaplumbide-ammonia(1/1)","","- H51 Li4 N17 Pb9 -","- H51 Li4 N17 Pb9 -","- H204 Li16 N68 Pb36 -","4","1","","Korber, Nikolaus; Fleischmann, Andrea","Synthesis and crystal structure of [Li(NH3)4]4[Sn9]·NH3 and [Li(NH3)4]4[Pb9]·NH3 †","Journal of the Chemical Society, Dalton Transactions","2001","","4","383","","10.1039/b008123j","","","0.71073","MoKα","","0.0767","0.0378","","","0.0685","0.0753","","","","","","0.909","","","","has coordinates","179807","2020-10-21","18:00:00","" "7010328","12.645","0.003","15.695","0.004","12.627","0.003","96.71","0.02","101.24","0.02","68.14","0.018","2278.5","1","298","","298","","","","","","","","","5","P -1","-P 1","2","Tetrakis(tetramethylammonium) dihydrogendecavanadate tetrahydrate","","","- C16 H57.6 N4 O31.8 V10 -","- C16 H50 N4 O31.8 V10 -","- C32 H100 N8 O63.6 V20 -","2","1","","Nakamura, Setsuko; Ozeki, Tomoji","Hydrogen-bonded aggregates of protonated decavanadate anions in their tetraalkylammonium salts † ‡","Journal of the Chemical Society, Dalton Transactions","2001","","4","472","","10.1039/b008128k","","","0.71069","MoKα","","0.0846","0.0479","","","0.1288","0.1478","","","","","","1.005","","","","has coordinates,has disorder","211332","2020-10-21","18:00:00","" "7010329","33.4919","0.0009","21.5128","0.0005","13.9059","0.0004","90","","98.552","0.001","90","","9907.9","0.5","298","","298","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","Tris(tetraethylammonium) trihydrogendecavanadate dihydrate","","","- C24 H67 N3 O30 V10 -","- C24 H60 N3 O30 V10 -","- C192 H480 N24 O240 V80 -","8","1","","Nakamura, Setsuko; Ozeki, Tomoji","Hydrogen-bonded aggregates of protonated decavanadate anions in their tetraalkylammonium salts † ‡","Journal of the Chemical Society, Dalton Transactions","2001","","4","472","","10.1039/b008128k","","","0.71069","MoKα","","0.1221","0.0587","","","0.1609","0.1976","","","","","","0.996","","","","has coordinates,has disorder","179807","2020-10-21","18:00:00","" "7010330","8.5568","0.0001","13.1873","0.0002","20.1901","0.0003","90","","92.653","0.001","90","","2275.83","0.06","298","","298","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","Bis(tetra-n-propylammonium) tetrahydrogendecavanadate","","","- C24 H60 N2 O28 V10 -","- C24 H60 N2 O28 V10 -","- C48 H120 N4 O56 V20 -","2","0.5","","Nakamura, Setsuko; Ozeki, Tomoji","Hydrogen-bonded aggregates of protonated decavanadate anions in their tetraalkylammonium salts † ‡","Journal of the Chemical Society, Dalton Transactions","2001","","4","472","","10.1039/b008128k","","","0.71069","MoKα","","0.1016","0.0467","","","0.0983","0.1201","","","","","","0.975","","","","has coordinates,has disorder","211332","2020-10-21","18:00:00","" "7010331","20.3026","0.0013","14.0097","0.0013","21.9911","0.0018","90","","110.996","0.005","90","","5839.7","0.8","298","","298","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Tris(tetra-n-propylammonium) trihydrogendecavanadate","","","- C36 H87 N3 O28 V10 -","- C36 H87 N3 O28 V10 -","- C144 H348 N12 O112 V40 -","4","1","","Nakamura, Setsuko; Ozeki, Tomoji","Hydrogen-bonded aggregates of protonated decavanadate anions in their tetraalkylammonium salts † ‡","Journal of the Chemical Society, Dalton Transactions","2001","","4","472","","10.1039/b008128k","","","0.71069","MoKα","","0.0709","0.0419","","","0.1032","0.115","","","","","","1.047","","","","has coordinates,has disorder","211332","2020-10-21","18:00:00","" "7010332","27.994","0.004","24.643","0.004","17.9049","0.0015","90","","95.448","0.009","90","","12296","3","298","","298","","","","","","","","","5","C 1 c 1","C -2yc","9","Tris(tetra-n-propylammonium) trihydrogendecavanadate monohydrate","","","- C36 H88 N3 O28.5 V10 -","- C36 H84 N3 O28.5 V10 -","- C288 H672 N24 O228 V80 -","8","2","","Nakamura, Setsuko; Ozeki, Tomoji","Hydrogen-bonded aggregates of protonated decavanadate anions in their tetraalkylammonium salts † ‡","Journal of the Chemical Society, Dalton Transactions","2001","","4","472","","10.1039/b008128k","","","0.7107","MoKα","","0.1797","0.0565","","","0.1432","0.1972","","","","","","0.956","","","","has coordinates","176453","2020-10-21","18:00:00","" "7010333","8.5633","0.0009","21.048","0.003","15.435","0.002","90","","96.375","0.01","90","","2764.8","0.6","298","","298","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","Bis(tetra-n-butylammonium) tetrahydrogendecavanadate","","","- C32 H76 N2 O28 V10 -","- C32 H76 N2 O28 V10 -","- C64 H152 N4 O56 V20 -","2","0.5","","Nakamura, Setsuko; Ozeki, Tomoji","Hydrogen-bonded aggregates of protonated decavanadate anions in their tetraalkylammonium salts † ‡","Journal of the Chemical Society, Dalton Transactions","2001","","4","472","","10.1039/b008128k","","","0.71069","MoKα","","0.0741","0.0385","","","0.1109","0.1362","","","","","","1.045","","","","has coordinates","211332","2020-10-21","18:00:00","" "7010334","15.968","0.002","18.677","0.002","12.785","0.002","91.38","0.01","96.48","0.01","107.26","0.01","3611.3","0.8","298","","298","","","","","","","","","5","P -1","-P 1","2","Tris(tetra-n-butylammonium) trihydrogendecavanadate","","","- C48 H111 N3 O28 V10 -","- C48 H111 N3 O28 V10 -","- C96 H222 N6 O56 V20 -","2","1","","Nakamura, Setsuko; Ozeki, Tomoji","Hydrogen-bonded aggregates of protonated decavanadate anions in their tetraalkylammonium salts † ‡","Journal of the Chemical Society, Dalton Transactions","2001","","4","472","","10.1039/b008128k","","","0.71069","MoKα","","0.154","0.0538","","","0.1777","0.2678","","","","","","0.939","","","","has coordinates,has disorder","211332","2020-10-21","18:00:00","" "7010335","9.6364","0.0012","10.507","0.002","20.417","0.004","75.132","0.009","87.82","0.02","86.555","0.017","1993.8","0.6","173","2","173","2","","","","","","","","8","P -1","-P 1","2","","","","- C38 H46 B2 F4 N6 O2 P Rh -","- C38 H46 B2 F4 N6 O2 P Rh -","- C76 H92 B4 F8 N12 O4 P2 Rh2 -","2","1","","Connelly, Neil G.; Emslie, David J. H.; Geiger, William E.; Hayward, Owen D.; Linehan, Emma B.; Orpen, A. Guy; Quayle, Michael J.; Rieger, Philip H.","Redox-induced κ2‒κ3 isomerisation in hydrotris(pyrazolyl)boratorhodium complexes: synthesis, structure and ESR spectroscopy of stabilised rhodium(II) species","Journal of the Chemical Society, Dalton Transactions","2001","","5","670","","10.1039/b008131k","","","0.71073","MoKα","","0.0841","0.0497","","","0.1077","0.1188","","","","","","0.947","","","","has coordinates","179807","2020-10-21","18:00:00","" "7010336","10.6665","0.0019","15.09","0.002","25.261","0.004","90","0.13","90.78","0.14","90","0.14","4065.6","1.1","173","2","173","2","","","","","","","","9","P 1 21/n 1","-P 2yn","14","","","","- C35 H39 B Cl2 F6 N6 O P2 Rh -","- C35 H39 B Cl2 F6 N6 O P2 Rh -","- C140 H156 B4 Cl8 F24 N24 O4 P8 Rh4 -","4","1","","Connelly, Neil G.; Emslie, David J. H.; Geiger, William E.; Hayward, Owen D.; Linehan, Emma B.; Orpen, A. Guy; Quayle, Michael J.; Rieger, Philip H.","Redox-induced κ2‒κ3 isomerisation in hydrotris(pyrazolyl)boratorhodium complexes: synthesis, structure and ESR spectroscopy of stabilised rhodium(II) species","Journal of the Chemical Society, Dalton Transactions","2001","","5","670","","10.1039/b008131k","","","0.71073","MoKα","","0.0445","0.0331","","","0.0702","0.0765","","","","","","1.119","","","","has coordinates,has disorder","179807","2020-10-21","18:00:00","" "7010337","24.39","0.01","13.33","0.004","22.563","0.01","90","0.03","90","0.06","90","0.03","7336","5","293","2","293","2","","","","","","","","9","P c a 21","P 2c -2ac","29","","","","- C24 H44 B Cl2 F6 N9 O1.5 P2 Rh -","- C24 H44 B Cl2 F6 N9 O1.5 P2 Rh -","- C192 H352 B8 Cl16 F48 N72 O12 P16 Rh8 -","8","2","","Connelly, Neil G.; Emslie, David J. H.; Geiger, William E.; Hayward, Owen D.; Linehan, Emma B.; Orpen, A. Guy; Quayle, Michael J.; Rieger, Philip H.","Redox-induced κ2‒κ3 isomerisation in hydrotris(pyrazolyl)boratorhodium complexes: synthesis, structure and ESR spectroscopy of stabilised rhodium(II) species","Journal of the Chemical Society, Dalton Transactions","2001","","5","670","","10.1039/b008131k","","","0.71073","MoKα","","0.2888","0.1447","","","0.2981","0.3938","","","","","","1.012","","","","has coordinates","176453","2020-10-21","18:00:00","" "7010338","10.6624","0.0015","17.463","0.002","17.664","0.004","93.214","0.012","103.27","0.011","107.329","0.012","3028.3","0.9","173","2","173","2","","","","","","","","8","P -1","-P 1","2","","","","- C57 H60 B2 Cl6 F4 N6 P2 Rh -","- C57 H56 B2 Cl6 F4 N6 P2 Rh -","- C114 H112 B4 Cl12 F8 N12 P4 Rh2 -","2","1","","Connelly, Neil G.; Emslie, David J. H.; Geiger, William E.; Hayward, Owen D.; Linehan, Emma B.; Orpen, A. Guy; Quayle, Michael J.; Rieger, Philip H.","Redox-induced κ2‒κ3 isomerisation in hydrotris(pyrazolyl)boratorhodium complexes: synthesis, structure and ESR spectroscopy of stabilised rhodium(II) species","Journal of the Chemical Society, Dalton Transactions","2001","","5","670","","10.1039/b008131k","","","0.71073","MoKα","","0.138","0.0655","","","0.1224","0.1521","","","","","","1.009","","","","has coordinates,has disorder","179807","2020-10-21","18:00:00","" "7010339","10.63","0.003","17.59","0.004","17.957","0.003","95.33","0.02","102.693","0.019","107.102","0.016","3085.7","1.3","173","2","293","2","","","","","","","","8","P -1","-P 1","2","","","","- C57 H64 B Cl6 F6 N6 P3 Rh -","- C57 H64 B Cl6 F6 N6 P3 Rh -","- C114 H128 B2 Cl12 F12 N12 P6 Rh2 -","2","1","","Connelly, Neil G.; Emslie, David J. H.; Geiger, William E.; Hayward, Owen D.; Linehan, Emma B.; Orpen, A. Guy; Quayle, Michael J.; Rieger, Philip H.","Redox-induced κ2‒κ3 isomerisation in hydrotris(pyrazolyl)boratorhodium complexes: synthesis, structure and ESR spectroscopy of stabilised rhodium(II) species","Journal of the Chemical Society, Dalton Transactions","2001","","5","670","","10.1039/b008131k","","","0.71073","MoKα","","0.2341","0.0919","","","0.1513","0.2058","","","","","","0.931","","","","has coordinates,has disorder","179807","2020-10-21","18:00:00","" "7010340","12.567","0.004","22.521","0.008","12.931","0.003","90","","102.714","0.019","90","","3570","1.9","173","2","173","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C34 H55 B N6 O P Rh -","- C34 H52 B N6 O P Rh -","- C136 H208 B4 N24 O4 P4 Rh4 -","4","1","","Connelly, Neil G.; Emslie, David J. H.; Geiger, William E.; Hayward, Owen D.; Linehan, Emma B.; Orpen, A. Guy; Quayle, Michael J.; Rieger, Philip H.","Redox-induced κ2‒κ3 isomerisation in hydrotris(pyrazolyl)boratorhodium complexes: synthesis, structure and ESR spectroscopy of stabilised rhodium(II) species","Journal of the Chemical Society, Dalton Transactions","2001","","5","670","","10.1039/b008131k","","","0.71073","MoKα","","0.1258","0.0674","","","0.1405","0.1645","","","","","","1.04","","","","has coordinates","179807","2020-10-21","18:00:00","" "7010341","9.287","0.003","10.529","0.003","16.589","0.004","72.499","0.019","77.36","0.02","69.48","0.03","1437.1","0.8","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C22 H40 B N9 O P Rh -","- C22 H40 B N9 O P Rh -","- C44 H80 B2 N18 O2 P2 Rh2 -","2","1","","Connelly, Neil G.; Emslie, David J. H.; Geiger, William E.; Hayward, Owen D.; Linehan, Emma B.; Orpen, A. Guy; Quayle, Michael J.; Rieger, Philip H.","Redox-induced κ2‒κ3 isomerisation in hydrotris(pyrazolyl)boratorhodium complexes: synthesis, structure and ESR spectroscopy of stabilised rhodium(II) species","Journal of the Chemical Society, Dalton Transactions","2001","","5","670","","10.1039/b008131k","","","0.71073","MoKα","","0.0937","0.0542","","","0.1178","0.1352","","","","","","0.98","","","","has coordinates,has disorder","179807","2020-10-21","18:00:00","" "7010342","10.8099","0.0017","12.0504","0.0018","13.737","0.003","96.536","0.012","93.879","0.012","92.424","0.012","1771.5","0.5","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C37 H43 B N6 O P Rh -","- C37 H43 B N6 O P Rh -","- C74 H86 B2 N12 O2 P2 Rh2 -","2","1","","Connelly, Neil G.; Emslie, David J. H.; Geiger, William E.; Hayward, Owen D.; Linehan, Emma B.; Orpen, A. Guy; Quayle, Michael J.; Rieger, Philip H.","Redox-induced κ2‒κ3 isomerisation in hydrotris(pyrazolyl)boratorhodium complexes: synthesis, structure and ESR spectroscopy of stabilised rhodium(II) species","Journal of the Chemical Society, Dalton Transactions","2001","","5","670","","10.1039/b008131k","","","0.71073","MoKα","","0.039","0.0277","","","0.0611","0.0643","","","","","","0.99","","","","has coordinates","179807","2020-10-21","18:00:00","" "7010343","10.4975","0.0017","12.1867","0.0017","13.7717","0.0015","87.865","0.008","87.751","0.009","78.014","0.012","1721.3","0.4","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C34 H37 B N6 O4 P Rh -","- C34 H37 B N6 O4 P Rh -","- C68 H74 B2 N12 O8 P2 Rh2 -","2","1","","Connelly, Neil G.; Emslie, David J. H.; Geiger, William E.; Hayward, Owen D.; Linehan, Emma B.; Orpen, A. Guy; Quayle, Michael J.; Rieger, Philip H.","Redox-induced κ2‒κ3 isomerisation in hydrotris(pyrazolyl)boratorhodium complexes: synthesis, structure and ESR spectroscopy of stabilised rhodium(II) species","Journal of the Chemical Society, Dalton Transactions","2001","","5","670","","10.1039/b008131k","","","0.71073","MoKα","","0.0422","0.0288","","","0.0634","0.0673","","","","","","0.95","","","","has coordinates","179807","2020-10-21","18:00:00","" "7010344","11.4436","0.0011","18.7695","0.0018","23.137","0.003","90","","91.323","0.008","90","","4968.3","0.9","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C54 H52 B N6 P2 Rh -","- C54 H52 B N6 P2 Rh -","- C216 H208 B4 N24 P8 Rh4 -","4","1","","Connelly, Neil G.; Emslie, David J. H.; Geiger, William E.; Hayward, Owen D.; Linehan, Emma B.; Orpen, A. Guy; Quayle, Michael J.; Rieger, Philip H.","Redox-induced κ2‒κ3 isomerisation in hydrotris(pyrazolyl)boratorhodium complexes: synthesis, structure and ESR spectroscopy of stabilised rhodium(II) species","Journal of the Chemical Society, Dalton Transactions","2001","","5","670","","10.1039/b008131k","","","0.71073","MoKα","","0.045","0.0305","","","0.0852","0.0902","","","","","","1.128","","","","has coordinates","179807","2020-10-21","18:00:00","" "7010345","9.428","0.003","16.51","0.004","20.735","0.005","90","","97.73","0.03","90","","3198.2","1.5","173","2","173","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C34 H37 B N6 O P Rh -","- C34 H37 B N6 O P Rh -","- C136 H148 B4 N24 O4 P4 Rh4 -","4","1","","Connelly, Neil G.; Emslie, David J. H.; Geiger, William E.; Hayward, Owen D.; Linehan, Emma B.; Orpen, A. Guy; Quayle, Michael J.; Rieger, Philip H.","Redox-induced κ2‒κ3 isomerisation in hydrotris(pyrazolyl)boratorhodium complexes: synthesis, structure and ESR spectroscopy of stabilised rhodium(II) species","Journal of the Chemical Society, Dalton Transactions","2001","","5","670","","10.1039/b008131k","","","0.71073","MoKα","","0.0836","0.0688","","","0.1614","0.1771","","","","","","1.098","","","","has coordinates","179807","2020-10-21","18:00:00","" "7010346","18.313","0.002","13.177","0.003","12.025","0.004","112.26","0.02","102.07","0.02","99.52","0.01","2528.4","1.2","293","","293","","","","","","","","","6","P -1","-P 1","2","","","","- C98 H159 Ag2 B2 N17 P4 -","- C49 H79.5 Ag B N8.5 P2 -","- C98 H159 Ag2 B2 N17 P4 -","2","1","","Gioia Lobbia, Giancarlo; Pellei, Maura; Pettinari, Claudio; Santini, Carlo; Skelton, Brian W.; White, Allan H.","Bridged poly(1-imidazolyl)borate silver(I) complexes containing tertiary mono(phosphine) ligands. The first structurally authenticated bis(imidazolyl)borate metal complex †","Journal of the Chemical Society, Dalton Transactions","2001","","5","528","","10.1039/b008135n","","","0.71073","MoKα","","0.054","0.044","","0.052","","0.05","","","1.71","","","1.84","","","","has coordinates","176432","2020-10-21","18:00:00","" "7010347","10.719","0.001","17.846","0.002","13.747","0.001","90","","101.23","0.002","90","","2579.3","0.4","153","","153","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C24 H41 Ag B N4 P -","- C24 H41 Ag B N4 P -","- C96 H164 Ag4 B4 N16 P4 -","4","1","","Gioia Lobbia, Giancarlo; Pellei, Maura; Pettinari, Claudio; Santini, Carlo; Skelton, Brian W.; White, Allan H.","Bridged poly(1-imidazolyl)borate silver(I) complexes containing tertiary mono(phosphine) ligands. The first structurally authenticated bis(imidazolyl)borate metal complex †","Journal of the Chemical Society, Dalton Transactions","2001","","5","528","","10.1039/b008135n","","","0.71073","MoKα","","0.061","0.029","","0.038","","0.033","","","0.923","","","0.998","","","","has coordinates","176432","2020-10-21","18:00:00","" "7010348","11.587","0.001","14.074","0.001","16.425","0.001","76.538","0.001","87.005","0.001","72.383","0.001","2482.3","0.3","293","","293","","","","","","","","","7","P -1","-P 1","2","","","","- C98 H102 Ag2 B2 Cl6 N8 P4 -","- C98 H102 Ag2 B2 Cl6 N8 P4 -","- C98 H102 Ag2 B2 Cl6 N8 P4 -","1","0.5","","Gioia Lobbia, Giancarlo; Pellei, Maura; Pettinari, Claudio; Santini, Carlo; Skelton, Brian W.; White, Allan H.","Bridged poly(1-imidazolyl)borate silver(I) complexes containing tertiary mono(phosphine) ligands. The first structurally authenticated bis(imidazolyl)borate metal complex †","Journal of the Chemical Society, Dalton Transactions","2001","","5","528","","10.1039/b008135n","","","0.71073","MoKα","","0.059","0.041","","0.053","","0.051","","","1.599","","","1.783","","","","has coordinates","176432","2020-10-21","18:00:00","" "7010349","9.7999","0.0003","16.6069","0.0005","11.5815","0.0003","90","","109.345","","90","","1778.42","0.09","112","2","112","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C37 H58 Mg N2 O2 -","- C37 H58 Mg N2 O2 -","- C74 H116 Mg2 N4 O4 -","2","1","","Chisholm, Malcolm H.; Huffman, John C.; Phomphrai, Khamphee","Monomeric metal alkoxides and trialkyl siloxides: (BDI)Mg(OtBu)(THF ) and (BDI)Zn(OSiPh3)(THF ). Comments on single site catalysts for ring-opening polymerization of lactides †","Journal of the Chemical Society, Dalton Transactions","2001","","3","222","","10.1039/b008158m","","","0.71073","MoKα","","","0.0327","","","","0.0327","","","","","","0.6332","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00","" "7010350","7.295","0.007","13.464","0.003","15.2","0.003","90","","98.68","0.03","90","","1475.8","1.5","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","{(CuBr)4([12]aneS4)2}","Bis(copper(I)bromide) 1,4,7,10-tetrathiacyclododecane","","- C8 H16 Br2 Cu2 S4 -","- C8 H16 Br2 Cu2 S4 -","- C32 H64 Br8 Cu8 S16 -","4","1","","Brooks, Neil R.; Blake, Alexander J.; Champness, Neil R.; Cooke, Paul A.; Hubberstey, Peter; Proserpio, Davide M.; Wilson, Claire; Schröder, Martin","Discrete molecular and extended polymeric copper(I) halide complexes of tetradentate thioether macrocycles","Journal of the Chemical Society, Dalton Transactions","2001","","4","456","","10.1039/b008202n","","","0.71073","MoKα","","0.0686","0.0511","","","0.1293","0.145","","","","","","1.036","","","","has coordinates","211332","2020-10-21","18:00:00","" "7010351","7.456","0.002","14.804","0.003","18.47","0.005","90","","98.33","0.03","90","","2017.2","0.9","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","(CuI)2([16]aneS4)","Bis(copper(I)Iodide) 1,4,7,10-tetrathiacyclohexadecane","","- C12 H24 Cu2 I2 S4 -","- C12 H24 Cu2 I2 S4 -","- C48 H96 Cu8 I8 S16 -","4","1","","Brooks, Neil R.; Blake, Alexander J.; Champness, Neil R.; Cooke, Paul A.; Hubberstey, Peter; Proserpio, Davide M.; Wilson, Claire; Schröder, Martin","Discrete molecular and extended polymeric copper(I) halide complexes of tetradentate thioether macrocycles","Journal of the Chemical Society, Dalton Transactions","2001","","4","456","","10.1039/b008202n","","","0.71073","MoKα","","0.0336","0.0304","","","0.0721","0.0748","","","","","","1.047","","","","has coordinates","211332","2020-10-21","18:00:00","" "7010352","8.905","0.003","8.905","0.003","8.331","0.003","90","","90","","90","","660.6","0.4","150","2","150","2","","","","","","","","5","I 4","I 4","79","[12]aneS4 copper(I) iodide","1,4,7,10-tetrathiacyclododecane copper(I) iodide","","- C8 H16 Cu I S4 -","- C8 H16 Cu I S4 -","- C16 H32 Cu2 I2 S8 -","2","0.25","","Brooks, Neil R.; Blake, Alexander J.; Champness, Neil R.; Cooke, Paul A.; Hubberstey, Peter; Proserpio, Davide M.; Wilson, Claire; Schröder, Martin","Discrete molecular and extended polymeric copper(I) halide complexes of tetradentate thioether macrocycles","Journal of the Chemical Society, Dalton Transactions","2001","","4","456","","10.1039/b008202n","","","0.71073","MoKα","","0.016","0.016","","","0.0396","0.0396","","","","","","1.099","","","","has coordinates","211332","2020-10-21","18:00:00","" "7010353","8.7331","0.0012","8.7331","0.0012","8.251","0.0017","90","","90","","90","","629.28","0.18","150","2","150","2","","","","","","","","5","I 4","I 4","79","","","","- C8 H16 Br Cu S4 -","- C8 H16 Br Cu S4 -","- C16 H32 Br2 Cu2 S8 -","2","0.25","","Brooks, Neil R.; Blake, Alexander J.; Champness, Neil R.; Cooke, Paul A.; Hubberstey, Peter; Proserpio, Davide M.; Wilson, Claire; Schröder, Martin","Discrete molecular and extended polymeric copper(I) halide complexes of tetradentate thioether macrocycles","Journal of the Chemical Society, Dalton Transactions","2001","","4","456","","10.1039/b008202n","","","0.71073","MoKα","","0.0243","0.0242","","","0.0655","0.0664","","","","","","0.685","","","","has coordinates","179807","2020-10-21","18:00:00","" "7010354","13.469","0.002","7.6268","0.0016","13.578","0.002","90","","115.654","0.013","90","","1257.3","0.4","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","[12]aneS4 copper(I) chloride","1,4,7,10-tetrathiacyclododecane copper(I) chloride","","- C8 H16 Cl Cu S4 -","- C8 H16 Cl Cu S4 -","- C32 H64 Cl4 Cu4 S16 -","4","1","","Brooks, Neil R.; Blake, Alexander J.; Champness, Neil R.; Cooke, Paul A.; Hubberstey, Peter; Proserpio, Davide M.; Wilson, Claire; Schröder, Martin","Discrete molecular and extended polymeric copper(I) halide complexes of tetradentate thioether macrocycles","Journal of the Chemical Society, Dalton Transactions","2001","","4","456","","10.1039/b008202n","","","0.71073","MoKα","","0.0325","0.0274","","","0.0614","0.0655","","","","","","1.149","","","","has coordinates,has disorder","211332","2020-10-21","18:00:00","" "7010355","11.2982","0.0009","11.2982","0.0009","8.253","0.001","90","","90","","90","","1053.49","0.17","298","2","298","2","","","","","","","","5","P 4/n :2","-P 4a","85","[12]aneS4 tetra(copper(I) iodide)","1,4,7,10-tetrathiacyclododecane tetra(copper(I) iodide)","","- C2 H4 Cu I S -","- C2 H4 Cu I S -","- C16 H32 Cu8 I8 S8 -","8","1","","Brooks, Neil R.; Blake, Alexander J.; Champness, Neil R.; Cooke, Paul A.; Hubberstey, Peter; Proserpio, Davide M.; Wilson, Claire; Schröder, Martin","Discrete molecular and extended polymeric copper(I) halide complexes of tetradentate thioether macrocycles","Journal of the Chemical Society, Dalton Transactions","2001","","4","456","","10.1039/b008202n","","","0.71073","MoKα","","0.0257","0.0176","","","0.0386","0.0405","","","","","","0.967","","","","has coordinates","211332","2020-10-21","18:00:00","" "7010356","10.1425","0.0019","10.4875","0.0013","16.515","0.002","90","","93.76","","90","","1752.9","0.4","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C9 H17 B11 Mo O3 -","- C9 H17 B11 Mo O3 -","- C36 H68 B44 Mo4 O12 -","4","1","","Patmore, Nathan J.; Mahon, Mary F.; Steed, Jonathan W.; Weller, Andrew S.","Synthesis and characterisation of {Mo(η-L)(CO)3}+ (η-L = C5H5 or C5Me5) fragments ligated with [CB11H12]− and derivatives. Isolation and structural characterisation of an intermediate in a silver salt metathesis reaction","Journal of the Chemical Society, Dalton Transactions","2001","","3","277","","10.1039/b008222h","","","0.71069","MoKα","","0.0369","0.0289","","","0.078","0.0806","","","","","","1.038","","","","has coordinates","179807","2020-10-21","18:00:00","" "7010357","13.8843","0.0004","15.7193","0.0004","18.149","0.0006","90","","90","","90","","3961","0.2","120","2","120","2","","","","","","","","7","P n n a","-P 2a 2bc","52","","","","- C9 H17 Ag B11 I Mo O3 -","- C9 H17 Ag B11 I Mo O3 -","- C72 H136 Ag8 B88 I8 Mo8 O24 -","8","1","","Patmore, Nathan J.; Mahon, Mary F.; Steed, Jonathan W.; Weller, Andrew S.","Synthesis and characterisation of {Mo(η-L)(CO)3}+ (η-L = C5H5 or C5Me5) fragments ligated with [CB11H12]− and derivatives. Isolation and structural characterisation of an intermediate in a silver salt metathesis reaction","Journal of the Chemical Society, Dalton Transactions","2001","","3","277","","10.1039/b008222h","","","0.71073","MoKα","","0.0725","0.0563","","","0.1101","0.1145","","","","","","1.229","","","","has coordinates","179807","2020-10-21","18:00:00","" "7010358","7.72","0.0007","11.836","0.0008","14.753","0.0015","90.871","0.005","96.678","0.004","90.355","0.005","1338.7","0.2","170","2","170","2","","","","","","","","8","P -1","-P 1","2","","","","- C9 H11 Ag B11 Br6 I Mo O3 -","- C9 H11 Ag B11 Br6 I Mo O3 -","- C18 H22 Ag2 B22 Br12 I2 Mo2 O6 -","2","1","","Patmore, Nathan J.; Mahon, Mary F.; Steed, Jonathan W.; Weller, Andrew S.","Synthesis and characterisation of {Mo(η-L)(CO)3}+ (η-L = C5H5 or C5Me5) fragments ligated with [CB11H12]− and derivatives. Isolation and structural characterisation of an intermediate in a silver salt metathesis reaction","Journal of the Chemical Society, Dalton Transactions","2001","","3","277","","10.1039/b008222h","","","0.7107","MoKα","","0.1324","0.0917","","","0.2541","0.2844","","","","","","1.011","","","","has coordinates","179807","2020-10-21","18:00:00","" "7010359","9.7577","0.0001","14.1357","0.0002","16.231","0.0002","90","","90","","90","","2238.77","0.05","170","2","170","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C14 H27 B11 Mo O3 -","- C14 H27 B11 Mo O3 -","- C56 H108 B44 Mo4 O12 -","4","1","","Patmore, Nathan J.; Mahon, Mary F.; Steed, Jonathan W.; Weller, Andrew S.","Synthesis and characterisation of {Mo(η-L)(CO)3}+ (η-L = C5H5 or C5Me5) fragments ligated with [CB11H12]− and derivatives. Isolation and structural characterisation of an intermediate in a silver salt metathesis reaction","Journal of the Chemical Society, Dalton Transactions","2001","","3","277","","10.1039/b008222h","","","0.71069","MoKα","","0.0279","0.0275","","","0.0825","0.0835","","","","","","0.988","","","","has coordinates","179807","2020-10-21","18:00:00","" "7010360","10.484","0.0002","34.061","0.0007","12.962","0.0002","90","","112.67","0.003","90","","4271.06","0.17","173","","173","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C48 H58 O4 P2 Pd -","- C48 H56 O4 P2 Pd -","- C192 H224 O16 P8 Pd4 -","4","2","","Mattheis, Chris; Braunstein, Pierre; Fischer, Axel","A new chiral metalladiphosphine for early‒late chemistry. Crystal structure of a D-camphor-based zirconium enolato phosphine and rearrangement of heterobimetallic Zr/Pd complexes †","Journal of the Chemical Society, Dalton Transactions","2001","","6","800","","10.1039/b008227i","","","0.71073","Mo-Kα","","0.037","0.029","","0.222","","0.035","","","6.686","","","1.059","","","","has coordinates","176432","2020-10-21","18:00:00","" "7010361","15.9544","0.0015","31.8046","0.0015","11.0466","0.0012","90","","95.916","0.006","90","","5575.4","0.8","173","2","173","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C31 H36 N O P Pd -","- C31 H36 N O P Pd -","- C248 H288 N8 O8 P8 Pd8 -","8","2","","Mattheis, Chris; Braunstein, Pierre; Fischer, Axel","A new chiral metalladiphosphine for early‒late chemistry. Crystal structure of a D-camphor-based zirconium enolato phosphine and rearrangement of heterobimetallic Zr/Pd complexes †","Journal of the Chemical Society, Dalton Transactions","2001","","6","800","","10.1039/b008227i","","","0.71073","MoKα","","0.0715","0.0383","","","0.0669","0.0775","","","","","","1","","","","has coordinates","179807","2020-10-21","18:00:00","" "7010362","9.582","0.008","12.547","0.001","18.959","0.016","90","","97.67","0.01","90","","2259","3","143","2","143","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C54 H58 O2 P2 Zr -","- C54 H58 O2 P2 Zr -","- C108 H116 O4 P4 Zr2 -","2","1","","Mattheis, Chris; Braunstein, Pierre; Fischer, Axel","A new chiral metalladiphosphine for early‒late chemistry. Crystal structure of a D-camphor-based zirconium enolato phosphine and rearrangement of heterobimetallic Zr/Pd complexes †","Journal of the Chemical Society, Dalton Transactions","2001","","6","800","","10.1039/b008227i","","","0.71073","MoKα","","0.0559","0.0368","","","0.0523","0.0559","","","","","","0.861","","","","has coordinates","179807","2020-10-21","18:00:00","" "7010363","13.6191","0.0002","10.4143","0.0002","14.51","0.0001","90","","117.733","0.001","90","","1821.59","0.05","203","2","203","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","tetra(t-butylamine)bis(t-butylimido)dichloro-di-μ- chloroditatanium(IV)","","- C24 H62 Cl4 N6 Ti2 -","- C24 H62 Cl4 N6 Ti2 -","- C48 H124 Cl8 N12 Ti4 -","2","0.5","","Nielson, Alastair J.; Glenny, Mark W.; Rickard, Clifton E. F.","2-tert-Butyl and 2-phenylphenylimido complexes of titanium(IV) and their olefin polymerisation activity","Journal of the Chemical Society, Dalton Transactions","2001","","3","232","","10.1039/b008232p","","","0.71073","MoKα","","0.0547","0.0355","","","0.0725","0.0821","","","","","","1.058","","","","has coordinates","179807","2020-10-21","18:00:00","" "7010364","9.903","0.00009","15.9595","0.0002","13.5773","0.0001","90","","101.159","0.001","90","","2105.28","0.04","203","2","203","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","dichloro-di-μ-chlorobis(2-methylphenylimido)tetrakis- pyridinedititanium(IV) dichloromethane solvate","","- C18 H18 Cl4 N3 Ti -","- C18 H18 Cl4 N3 Ti -","- C72 H72 Cl16 N12 Ti4 -","4","1","","Nielson, Alastair J.; Glenny, Mark W.; Rickard, Clifton E. F.","2-tert-Butyl and 2-phenylphenylimido complexes of titanium(IV) and their olefin polymerisation activity","Journal of the Chemical Society, Dalton Transactions","2001","","3","232","","10.1039/b008232p","","","0.71073","MoKα","","0.0478","0.0366","","","0.0884","0.0948","","","","","","1.068","","","","has coordinates","179807","2020-10-21","18:00:00","" "7010365","8.042","","10.7341","0.0001","16.4281","0.0002","77.013","0.001","77.14","0.0009","84.59","0.001","1345.73","0.02","203","2","203","2","","","","","","","","5","P -1","-P 1","2","","dichloro-di-μ-chloro(2-t-butylphenylimido)tetrakis- pyridinedititanium(IV) bis(dichloromethane) solvate","","- C22 H27 Cl6 N3 Ti -","- C22 H27 Cl6 N3 Ti -","- C44 H54 Cl12 N6 Ti2 -","2","1","","Nielson, Alastair J.; Glenny, Mark W.; Rickard, Clifton E. F.","2-tert-Butyl and 2-phenylphenylimido complexes of titanium(IV) and their olefin polymerisation activity","Journal of the Chemical Society, Dalton Transactions","2001","","3","232","","10.1039/b008232p","","","0.71073","MoKα","","0.0638","0.0552","","","0.1548","0.1615","","","","","","1.042","","","","has coordinates","179807","2020-10-21","18:00:00","" "7010366","10.1087","0.0004","17.1958","0.0006","12.4949","0.0005","90","","111.42","0.001","90","","2021.93","0.13","203","2","203","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","dichloro-di-μ-chloro(2-phenylphenylimido)tetrakis- pyridinedititanium(IV)","","- C22 H19 Cl2 N3 Ti -","- C22 H19 Cl2 N3 Ti -","- C88 H76 Cl8 N12 Ti4 -","4","1","","Nielson, Alastair J.; Glenny, Mark W.; Rickard, Clifton E. F.","2-tert-Butyl and 2-phenylphenylimido complexes of titanium(IV) and their olefin polymerisation activity","Journal of the Chemical Society, Dalton Transactions","2001","","3","232","","10.1039/b008232p","","","0.71073","MoKα","","0.0612","0.0412","","","0.0882","0.0983","","","","","","1.078","","","","has coordinates","179807","2020-10-21","18:00:00","" "7010367","15.18","0.0004","7.5428","0.0002","17.0488","0.0005","90","","90.715","0.001","90","","1951.93","0.09","203","2","203","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","dichloro(2-t-butylphenylimido)(N,N,N',N'-tetramethylethylenediamine)- titanium(IV)","","- C16 H29 Cl2 N3 Ti -","- C16 H29 Cl2 N3 Ti -","- C64 H116 Cl8 N12 Ti4 -","4","1","","Nielson, Alastair J.; Glenny, Mark W.; Rickard, Clifton E. F.","2-tert-Butyl and 2-phenylphenylimido complexes of titanium(IV) and their olefin polymerisation activity","Journal of the Chemical Society, Dalton Transactions","2001","","3","232","","10.1039/b008232p","","","0.71073","MoKα","","0.0974","0.0499","","","0.0806","0.0967","","","","","","1.062","","","","has coordinates","179807","2020-10-21","18:00:00","" "7010368","7.7374","0.0005","10.447","0.0007","12.509","0.0009","75.864","0.001","80.693","0.001","77.265","0.001","950.15","0.11","203","2","203","2","","","","","","","","5","P -1","-P 1","2","","dichloro-di-μ-chloro(2-phenylphenylimido)bis(N,N,N',N'- tetraethylenediamine)dititanium(IV)","","- C18 H25 Cl2 N3 Ti -","- C18 H25 Cl2 N3 Ti -","- C36 H50 Cl4 N6 Ti2 -","2","1","","Nielson, Alastair J.; Glenny, Mark W.; Rickard, Clifton E. F.","2-tert-Butyl and 2-phenylphenylimido complexes of titanium(IV) and their olefin polymerisation activity","Journal of the Chemical Society, Dalton Transactions","2001","","3","232","","10.1039/b008232p","","","0.71073","MoKα","","0.065","0.0436","","","0.1","0.1124","","","","","","1.067","","","","has coordinates","179807","2020-10-21","18:00:00","" "7010369","22.9626","0.0004","10.8638","0.0003","21.7099","0.0006","90","","118.71","0.0012","90","","4750","0.2","150","","150","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C52 H46 Cl5 P4 Re2 -","- C54 H48 Cl6 P4 Re2 -","- C216 H192 Cl24 P16 Re8 -","4","0.5","","Bera, Jitendra K.; Fanwick, Phillip E.; Walton, Richard A.","Decarboxylation reactions of alkyne-carboxylic acids as a route to multiply bonded [Re2]n+ μ-alkyne and μ-carbyne complexes","Journal of the Chemical Society, Dalton Transactions","2001","","2","109","","10.1039/b008265l","","","0.71073","MO-Kα","","","0.041","","","","0.088","","","","","","1.024","","","","has coordinates","179807","2020-10-21","18:00:00","" "7010370","12.4448","0.0003","18.7581","0.0005","27.8011","0.0008","90","","101.582","0.0019","90","","6357.8","0.3","173","","173","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C57 H58.32 Cl13 O0.66 P4 Re2 -","- C57 H57 Cl14 O P4 Re2 -","- C228 H228 Cl56 O4 P16 Re8 -","4","1","","Bera, Jitendra K.; Fanwick, Phillip E.; Walton, Richard A.","Decarboxylation reactions of alkyne-carboxylic acids as a route to multiply bonded [Re2]n+ μ-alkyne and μ-carbyne complexes","Journal of the Chemical Society, Dalton Transactions","2001","","2","109","","10.1039/b008265l","","","0.71073","MO-Kα","","","0.081","","","","0.168","","","","","","1.047","","","","has coordinates","179807","2020-10-21","18:00:00","" "7010371","10.285","0.008","14.613","0.006","26.906","0.004","90","","99.539","0.006","90","","3988","4","150","","150","","","","","","","","K[L-b] + InCl3","6","P 1 21/c 1","-P 2ybc","14","","[In(L-b)Cl2]","","- C30 H54 Cl8 In N3 O -","- C30 H54 Cl8 In N3 O -","- C120 H216 Cl32 In4 N12 O4 -","4","1","","Bylikin, Sergei Y.; Robson, David A.; Male, Nigel A. H.; Rees, Leigh H.; Mountford, Philip; Schröder, Martin","New main-group and early transition-metal complexes of mono-pendant arm triazacyclononane ligands","Journal of the Chemical Society, Dalton Transactions","2001","","2","170","","10.1039/b008267h","","","0.71069","MoKα","","","0.0958","","","","0.0178","","","","","","0.9379","","","","has coordinates","179807","2020-10-21","18:00:00","" "7010372","9.14","0.003","16.921","0.005","15.533","0.002","90","","93.939","0.006","90","","2396.6","1.1","150","","150","","","","","","","","TlOEt + HL-c","5","P 1 21/c 1","-P 2ybc","14","","[Tl(L-c)]","","- C23 H40 N3 O Tl -","- C23 H40 N3 O Tl -","- C92 H160 N12 O4 Tl4 -","4","1","","Bylikin, Sergei Y.; Robson, David A.; Male, Nigel A. H.; Rees, Leigh H.; Mountford, Philip; Schröder, Martin","New main-group and early transition-metal complexes of mono-pendant arm triazacyclononane ligands","Journal of the Chemical Society, Dalton Transactions","2001","","2","170","","10.1039/b008267h","","","0.71069","MoKα","","","0.0201","","","","0.0241","","","","","","1.054","","","","has coordinates","179807","2020-10-21","18:00:00","" "7010373","9.523","0.0004","11.185","0.0003","13.65","0.0006","79.328","0.003","74.964","0.002","78.089","0.003","1360.52","0.09","150","","150","","","","","","","","HL-b + TlOEt","5","P -1","-P 1","2","","[Tl(L-b)]","","- C27 H48 N3 O Tl -","- C27 H48 N3 O Tl -","- C54 H96 N6 O2 Tl2 -","2","1","","Bylikin, Sergei Y.; Robson, David A.; Male, Nigel A. H.; Rees, Leigh H.; Mountford, Philip; Schröder, Martin","New main-group and early transition-metal complexes of mono-pendant arm triazacyclononane ligands","Journal of the Chemical Society, Dalton Transactions","2001","","2","170","","10.1039/b008267h","","","0.71069","MoKα","","","0.0297","","","","0.0361","","","","","","0.7733","","","","has coordinates","179807","2020-10-21","18:00:00","" "7010374","13.311","0.002","16.542","0.003","13.407","0.002","90","","98.851","0.004","90","","2916.9","0.8","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H39 N10 Ni2 O2.5 -","- C26 H38 N10 Ni2 O3 -","- C104 H152 N40 Ni8 O12 -","4","1","","Bu, Xian-He; Du, Miao; Zhang, Lei; Liao, Dai-Zheng; Tang, Jin-Kui; Zhang, Ruo-Hua; Shionoya, Mitsuhiko","Novel nickel(II) complexes with diazamesocyclic ligands functionalized by additional phenol donor pendant(s): synthesis, characterization, crystal structures and magnetic properties","Journal of the Chemical Society, Dalton Transactions","2001","","5","593","","10.1039/b008297j","","","0.71073","MoKα","","0.105","0.0569","","","0.1343","0.1561","","","","","","0.956","","","","has coordinates","179807","2020-10-21","18:00:00","" "7010375","11.0715","0.0016","14.343","0.002","14.691","0.002","90","","109.052","0.003","90","","2205.1","0.5","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C44 H60 Cl2 N4 Ni3 O6 -","- C44 H58 Cl2 N4 Ni3 O6 -","- C88 H116 Cl4 N8 Ni6 O12 -","2","0.5","","Bu, Xian-He; Du, Miao; Zhang, Lei; Liao, Dai-Zheng; Tang, Jin-Kui; Zhang, Ruo-Hua; Shionoya, Mitsuhiko","Novel nickel(II) complexes with diazamesocyclic ligands functionalized by additional phenol donor pendant(s): synthesis, characterization, crystal structures and magnetic properties","Journal of the Chemical Society, Dalton Transactions","2001","","5","593","","10.1039/b008297j","","","0.71073","MoKα","","0.1464","0.0686","","","0.1599","0.2078","","","","","","0.915","","","","has coordinates","179807","2020-10-21","18:00:00","" "7010376","14.636","0.007","8.484","0.006","24.44","0.007","90","","94.71","0.03","90","","3025","3","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C46 H72 Ni O12 Rb2 S10 -","- C46 H72 Ni O12 Rb2 S10 -","- C92 H144 Ni2 O24 Rb4 S20 -","2","0.5","","Cronin, Leroy; Clark, Stewart J.; Parsons, Simon; Nakamura, Takayoshi; Robertson, Neil","Unique structural topologies involving metal‒metal and metal‒sulfur interactions: salts of [Ni(C3S5)2]x− with cis-anti-cis-dicyclohexyl-18-crown-6 complexed counter ions","Journal of the Chemical Society, Dalton Transactions","2001","","8","1347","","10.1039/b008299f","","","0.7107","MoKα","","0.1015","0.0455","","","0.1286","0.1549","","","","","","0.964","","","","has coordinates","213973","2020-10-21","18:00:00","" "7010377","10.706","0.003","10.846","0.003","16.196","0.004","90","","106.999","0.017","90","","1798.5","0.9","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C26 H36 Ni O6 Rb S10 -","- C26 H36 Ni O6 Rb S10 -","- C52 H72 Ni2 O12 Rb2 S20 -","2","0.5","","Cronin, Leroy; Clark, Stewart J.; Parsons, Simon; Nakamura, Takayoshi; Robertson, Neil","Unique structural topologies involving metal‒metal and metal‒sulfur interactions: salts of [Ni(C3S5)2]x− with cis-anti-cis-dicyclohexyl-18-crown-6 complexed counter ions","Journal of the Chemical Society, Dalton Transactions","2001","","8","1347","","10.1039/b008299f","","","1.54184","CuKα","","0.0497","0.0449","","","0.1282","0.1333","","","","","","1.055","","","","has coordinates","211332","2020-10-21","18:00:00","" "7010378","14.628","0.002","8.3769","0.0009","24.692","0.003","90","","93.631","0.011","90","","3019.6","0.6","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C46 H72 Cs2 Ni O12 S10 -","- C46 H72 Cs2 Ni O12 S10 -","- C92 H144 Cs4 Ni2 O24 S20 -","2","0.5","","Cronin, Leroy; Clark, Stewart J.; Parsons, Simon; Nakamura, Takayoshi; Robertson, Neil","Unique structural topologies involving metal‒metal and metal‒sulfur interactions: salts of [Ni(C3S5)2]x− with cis-anti-cis-dicyclohexyl-18-crown-6 complexed counter ions","Journal of the Chemical Society, Dalton Transactions","2001","","8","1347","","10.1039/b008299f","","","0.71073","MoKα","","0.0871","0.0415","","","0.0711","0.0842","","","","","","0.913","","","","has coordinates","213973","2020-10-21","18:00:00","" "7010379","11.633","0.006","12.15","0.006","23.778","0.012","80.07","0.03","80.11","0.03","69.1","0.03","3070","3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C66 H54 Cs Ni6 O9 S60 -","- C66 H54 Cs Ni6 O9 S60 -","- C66 H54 Cs Ni6 O9 S60 -","1","0.5","","Cronin, Leroy; Clark, Stewart J.; Parsons, Simon; Nakamura, Takayoshi; Robertson, Neil","Unique structural topologies involving metal‒metal and metal‒sulfur interactions: salts of [Ni(C3S5)2]x− with cis-anti-cis-dicyclohexyl-18-crown-6 complexed counter ions","Journal of the Chemical Society, Dalton Transactions","2001","","8","1347","","10.1039/b008299f","","","0.71073","MoKα","","0.2883","0.1179","","","0.3382","0.433","","","","","","1.039","","","","has coordinates,has disorder","211332","2020-10-21","18:00:00","" "7010380","13.277","0.008","13.314","0.007","8.669","0.005","90","","90","","90","","1532.4","1.5","163","2","163","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C10 H20 Cl Co N4 O8 -","- C10 H20 Cl Co N4 O8 -","- C40 H80 Cl4 Co4 N16 O32 -","4","1","","Clarkson, Andrea J.; Blackman, Allan G.; Clark, Charles R.","Preparation, structures and reactions of isomeric [Co(cyclen)(O2C2O2)]+ and [Co(cyclen)(O2CCH2CO2)]+ complexes (cyclen = 1,4,7,10-tetraazacyclododecane) †","Journal of the Chemical Society, Dalton Transactions","2001","","5","758","","10.1039/b008350j","","","0.71073","MoKα","","0.0685","0.0609","","","0.1555","0.1588","","","","","","1.072","","","","has coordinates","179807","2020-10-21","18:00:00","" "7010381","7.5762","0.0005","14.3014","0.001","15.9803","0.0012","90","","91.505","0.001","90","","1730.9","0.2","158","2","158","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C11 H22 Cl Co N4 O9 -","- C11 H22 Cl Co N4 O9 -","- C44 H88 Cl4 Co4 N16 O36 -","4","1","","Clarkson, Andrea J.; Blackman, Allan G.; Clark, Charles R.","Preparation, structures and reactions of isomeric [Co(cyclen)(O2C2O2)]+ and [Co(cyclen)(O2CCH2CO2)]+ complexes (cyclen = 1,4,7,10-tetraazacyclododecane) †","Journal of the Chemical Society, Dalton Transactions","2001","","5","758","","10.1039/b008350j","","","0.71073","MoKα","","0.0325","0.0304","","","0.0802","0.0815","","","","","","1.046","","","","has coordinates","179807","2020-10-21","18:00:00","" "7010382","7.406","0.004","8.61","0.005","14.305","0.01","77.85","0.018","86.805","0.018","68.773","0.011","831","0.9","158","2","158","2","","","","","","","","6","P -1","-P 1","2","","","","- C10 H20 Cl Co N4 O8 -","- C10 H20 Cl Co N4 O8 -","- C20 H40 Cl2 Co2 N8 O16 -","2","1","","Clarkson, Andrea J.; Blackman, Allan G.; Clark, Charles R.","Preparation, structures and reactions of isomeric [Co(cyclen)(O2C2O2)]+ and [Co(cyclen)(O2CCH2CO2)]+ complexes (cyclen = 1,4,7,10-tetraazacyclododecane) †","Journal of the Chemical Society, Dalton Transactions","2001","","5","758","","10.1039/b008350j","","","0.71073","MoKα","","0.0513","0.048","","","0.1412","0.1453","","","","","","1.187","","","","has coordinates","179807","2020-10-21","18:00:00","" "7010383","15.268","0.005","7.616","0.002","15.285","0.005","90","","92.923","0.004","90","","1775","0.9","170","2","170","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C11 H24 Cl Co N4 O9 -","- C11 H24 Cl Co N4 O9 -","- C44 H96 Cl4 Co4 N16 O36 -","4","1","","Clarkson, Andrea J.; Blackman, Allan G.; Clark, Charles R.","Preparation, structures and reactions of isomeric [Co(cyclen)(O2C2O2)]+ and [Co(cyclen)(O2CCH2CO2)]+ complexes (cyclen = 1,4,7,10-tetraazacyclododecane) †","Journal of the Chemical Society, Dalton Transactions","2001","","5","758","","10.1039/b008350j","","","0.71073","MoKα","","0.0446","0.0369","","","0.0934","0.0974","","","","","","1.038","","","","has coordinates","179807","2020-10-21","18:00:00","" "7010384","18.022","0.004","14.943","0.003","32.02","0.008","90","","90","","90","","8623","3","168","2","168","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C11 H23 Cl2 Co N4 O14 -","- C11 H23 Cl2 Co N4 O14 -","- C176 H368 Cl32 Co16 N64 O224 -","16","2","","Clarkson, Andrea J.; Blackman, Allan G.; Clark, Charles R.","Preparation, structures and reactions of isomeric [Co(cyclen)(O2C2O2)]+ and [Co(cyclen)(O2CCH2CO2)]+ complexes (cyclen = 1,4,7,10-tetraazacyclododecane) †","Journal of the Chemical Society, Dalton Transactions","2001","","5","758","","10.1039/b008350j","","","0.71073","MoKα","","0.1033","0.0509","","","0.0953","0.1128","","","","","","1.088","","","","has coordinates","179807","2020-10-21","18:00:00","" "7010385","8.865","0.002","23.214","0.002","13.172","0.003","90","","106.85","0.01","90","","2594.3","0.9","173","2","173","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C27 H36 Cl2 P Rh -","- C27 H36 Cl2 P Rh -","- C108 H144 Cl8 P4 Rh4 -","4","1","","Bleuel, Elke; Schwab, Peter; Laubender, Matthias; Werner, Helmut","Carbenerhodium(I) complexes of the half-sandwich-type: reactions with electrophiles","Journal of the Chemical Society, Dalton Transactions","2001","","3","266","","10.1039/b008354m","","","0.71073","MoKα","","0.0308","0.0284","","0.0698","0.0675","","","","1.074","1.061","1.061","","","","","has coordinates","179807","2020-10-21","18:00:00","" "7010386","39.6115","0.001","12.2498","0.0003","14.6354","0.0004","90","","92.074","0.002","90","","7096.9","0.3","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C37 H28 Co2 O4 P2 -","- C37 H28 Co2 O4 P2 -","- C296 H224 Co16 O32 P16 -","8","1","","Snaith, Tom J.; Low, Paul J.; Rousseau, Roger; Puschmann, Horst; Howard, Judith A. K.","Structural and electronic variations in cobalt‒alkyne clusters †","Journal of the Chemical Society, Dalton Transactions","2001","","3","292","","10.1039/b008445j","","","0.71073","MoKα","","0.0389","0.033","","","0.0768","0.0793","","","","","","1.085","","","","has coordinates","179807","2020-10-21","18:00:00","" "7010387","14.301","0.001","15.716","0.001","15.727","0.001","90","","98.792","0.002","90","","3493.2","0.4","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C39 H33 Co2 N O4 P2 -","- C39 H33 Co2 N O4 P2 -","- C156 H132 Co8 N4 O16 P8 -","4","1","","Snaith, Tom J.; Low, Paul J.; Rousseau, Roger; Puschmann, Horst; Howard, Judith A. K.","Structural and electronic variations in cobalt‒alkyne clusters †","Journal of the Chemical Society, Dalton Transactions","2001","","3","292","","10.1039/b008445j","","","0.71073","MoKα","","0.0396","0.0338","","","0.0761","0.082","","","","","","1.116","","","","has coordinates","179807","2020-10-21","18:00:00","" "7010388","14.4825","0.0011","13.6742","0.001","16.886","0.0014","90","","90","","90","","3344","0.4","100","2","100","2","","","","","","","","6","P b c m","-P 2c 2b","57","","","","- C37 H27 Co2 N O6 P2 -","- C37 H27 Co2 N O6 P2 -","- C148 H108 Co8 N4 O24 P8 -","4","0.5","","Snaith, Tom J.; Low, Paul J.; Rousseau, Roger; Puschmann, Horst; Howard, Judith A. K.","Structural and electronic variations in cobalt‒alkyne clusters †","Journal of the Chemical Society, Dalton Transactions","2001","","3","292","","10.1039/b008445j","","","0.71073","MoKα","","0.0353","0.0322","","","0.0765","0.0794","","","","","","1.071","","","","has coordinates","179807","2020-10-21","18:00:00","" "7010389","9.3295","0.0002","16.6546","0.0004","11.1253","0.0003","90","","92.212","0.01","90","","1727.35","0.07","100","2","100","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C38 H27 Co2 N O4 P2 -","- C38 H27 Co2 N O4 P2 -","- C76 H54 Co4 N2 O8 P4 -","2","0.5","","Snaith, Tom J.; Low, Paul J.; Rousseau, Roger; Puschmann, Horst; Howard, Judith A. K.","Structural and electronic variations in cobalt‒alkyne clusters †","Journal of the Chemical Society, Dalton Transactions","2001","","3","292","","10.1039/b008445j","","","0.71073","MoKα","","0.0283","0.0258","","","0.0661","0.0676","","","","","","1.044","","","","has coordinates","179807","2020-10-21","18:00:00","" "7010390","19.4088","0.0009","19.2738","0.0009","20.0688","0.001","90","","97.39","0.001","90","","7445","0.6","100","2","100","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C84 H72 Cl2 Co2 O4 P4 Ru Si -","- C84 H72 Cl2 Co2 O4 P4 Ru Si -","- C336 H288 Cl8 Co8 O16 P16 Ru4 Si4 -","4","1","","Snaith, Tom J.; Low, Paul J.; Rousseau, Roger; Puschmann, Horst; Howard, Judith A. K.","Structural and electronic variations in cobalt‒alkyne clusters †","Journal of the Chemical Society, Dalton Transactions","2001","","3","292","","10.1039/b008445j","","","0.71073","MoKα","","0.0581","0.041","","","0.1008","0.1133","","","","","","1.04","","","","has coordinates","179807","2020-10-21","18:00:00","" "7010391","13.7464","0.0007","19.9035","0.0006","24.8998","0.0008","90","","90","","90","","6812.6","0.5","100","2","100","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C77 H66 Co2 O4 P4 Ru Si -","- C77 H66 Co2 O4 P4 Ru Si -","- C308 H264 Co8 O16 P16 Ru4 Si4 -","4","1","","Snaith, Tom J.; Low, Paul J.; Rousseau, Roger; Puschmann, Horst; Howard, Judith A. K.","Structural and electronic variations in cobalt‒alkyne clusters †","Journal of the Chemical Society, Dalton Transactions","2001","","3","292","","10.1039/b008445j","","","0.71073","MoKα","","0.0324","0.028","","","0.0613","0.0635","","","","","","1.072","","","","has coordinates","179807","2020-10-21","18:00:00","" "7010392","13.791","0.001","9.1815","0.0008","27.573","0.002","90","","90.524","0.002","90","","3491.2","0.5","150","","150","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C18 H48 Cl4 Cu2 N8 O16 -","- C18 H48 Cl4 Cu2 N8 O16 -","- C72 H192 Cl16 Cu8 N32 O64 -","4","1","","Choi, Min-Ho; Kim, Bok Jo; Kim, Il-Chool; Kim, Seo-Hyang; Kim, Yang; Harrowfield, Jack M.; Lee, Man-Kil; Mocerino, Mauro; Rukmini, Elisabeth; Skelton, Brian W.; White, Allan H.","Inter- and intra-molecular pathways in polyamine synthesis from diamines †","Journal of the Chemical Society, Dalton Transactions","2001","","5","707","","10.1039/b008452m","","","0.71073","MoKα","","0.067","0.049","","0.063","","0.059","","","1.252","","","1.341","","","","has coordinates","176432","2020-10-21","18:00:00","" "7010393","13.887","0.001","9.2532","0.0009","27.778","0.003","90","","90.634","0.002","90","","3569.2","0.6","293","","293","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C18 H48 Cl4 Cu2 N8 O16 -","- C18 H48 Cl4 Cu2 N8 O16 -","- C72 H192 Cl16 Cu8 N32 O64 -","4","1","","Choi, Min-Ho; Kim, Bok Jo; Kim, Il-Chool; Kim, Seo-Hyang; Kim, Yang; Harrowfield, Jack M.; Lee, Man-Kil; Mocerino, Mauro; Rukmini, Elisabeth; Skelton, Brian W.; White, Allan H.","Inter- and intra-molecular pathways in polyamine synthesis from diamines †","Journal of the Chemical Society, Dalton Transactions","2001","","5","707","","10.1039/b008452m","","","0.71073","MoKα","","0.071","0.052","","0.072","","0.069","","","2.004","","","2.256","","","","has coordinates","176432","2020-10-21","18:00:00","" "7010394","9.5674","0.0019","13.745","0.003","12.562","0.003","90","","91.26","0.03","90","","1651.6","0.6","293","","293","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C8 H22 Cl2 Cu N4 O8 -","- C8 H22 Cl2 Cu N4 O8 -","- C32 H88 Cl8 Cu4 N16 O32 -","4","1","","Choi, Min-Ho; Kim, Bok Jo; Kim, Il-Chool; Kim, Seo-Hyang; Kim, Yang; Harrowfield, Jack M.; Lee, Man-Kil; Mocerino, Mauro; Rukmini, Elisabeth; Skelton, Brian W.; White, Allan H.","Inter- and intra-molecular pathways in polyamine synthesis from diamines †","Journal of the Chemical Society, Dalton Transactions","2001","","5","707","","10.1039/b008452m","","","0.71069","MoKα","","0.0907","0.0584","","0.1219","","0.1411","","","1.184","","","1.184","","","","has coordinates","176432","2020-10-21","18:00:00","" "7010395","8.368","0.001","24.884","0.004","8.508","0.001","90","","114.917","0.003","90","","1606.7","0.4","150","","150","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C8 H22 Cl2 Cu N4 O8 -","- C8 H22 Cl2 Cu N4 O8 -","- C32 H88 Cl8 Cu4 N16 O32 -","4","2","","Choi, Min-Ho; Kim, Bok Jo; Kim, Il-Chool; Kim, Seo-Hyang; Kim, Yang; Harrowfield, Jack M.; Lee, Man-Kil; Mocerino, Mauro; Rukmini, Elisabeth; Skelton, Brian W.; White, Allan H.","Inter- and intra-molecular pathways in polyamine synthesis from diamines †","Journal of the Chemical Society, Dalton Transactions","2001","","5","707","","10.1039/b008452m","","","0.71073","MoKα","","0.069","0.042","","0.045","","0.041","","","0.941","","","1.003","","","","has coordinates","176432","2020-10-21","18:00:00","" "7010396","11.246","0.001","9.373","0.002","15.291","0.002","90","","90","","90","","1611.8","0.4","293","","293","","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C9 H24 Cl2 Cu N4 O4 -","- C9 H24 Cl2 Cu N4 O4 -","- C36 H96 Cl8 Cu4 N16 O16 -","4","0.5","","Choi, Min-Ho; Kim, Bok Jo; Kim, Il-Chool; Kim, Seo-Hyang; Kim, Yang; Harrowfield, Jack M.; Lee, Man-Kil; Mocerino, Mauro; Rukmini, Elisabeth; Skelton, Brian W.; White, Allan H.","Inter- and intra-molecular pathways in polyamine synthesis from diamines †","Journal of the Chemical Society, Dalton Transactions","2001","","5","707","","10.1039/b008452m","","","0.71073","MoKα","","0.041","0.031","","0.041","","0.04","","","1.351","","","1.448","","","","has coordinates","176432","2020-10-21","18:00:00","" "7010397","7.0501","0.0008","18.946","0.002","11.005","0.0012","90","","105.383","0.001","90","","1417.3","0.3","153","","153","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H50 Cl6 N6 O2 -","- C16 H50 Cl6 N6 O2 -","- C32 H100 Cl12 N12 O4 -","2","0.5","","Choi, Min-Ho; Kim, Bok Jo; Kim, Il-Chool; Kim, Seo-Hyang; Kim, Yang; Harrowfield, Jack M.; Lee, Man-Kil; Mocerino, Mauro; Rukmini, Elisabeth; Skelton, Brian W.; White, Allan H.","Inter- and intra-molecular pathways in polyamine synthesis from diamines †","Journal of the Chemical Society, Dalton Transactions","2001","","5","707","","10.1039/b008452m","","","0.71073","MoKα","","0.029","0.026","","0.038","","0.037","","","1.427","","","1.476","","","","has coordinates","176432","2020-10-21","18:00:00","" "7010398","42.632","0.003","9.9729","0.0008","18.659","0.001","90","","101.365","0.001","90","","7777.6","0.9","293","","293","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C44 H112 Cl8 Cu4 N16 O26 -","- C44 H112 Cl8 Cu4 N16 O26 -","- C176 H448 Cl32 Cu16 N64 O104 -","4","0.5","","Choi, Min-Ho; Kim, Bok Jo; Kim, Il-Chool; Kim, Seo-Hyang; Kim, Yang; Harrowfield, Jack M.; Lee, Man-Kil; Mocerino, Mauro; Rukmini, Elisabeth; Skelton, Brian W.; White, Allan H.","Inter- and intra-molecular pathways in polyamine synthesis from diamines †","Journal of the Chemical Society, Dalton Transactions","2001","","5","707","","10.1039/b008452m","","","0.71073","MoKα","","0.084","0.043","","0.053","","0.047","","","1.201","","","1.397","","","","has coordinates","176432","2020-10-21","18:00:00","" "7010399","11.265","0.004","10.177","0.002","8.382","0.002","97.91","0.02","97.51","0.03","107.01","0.02","895.2","0.4","293","","293","","","","","","","","","6","P -1","-P 1","2","","","","- C9 H29 Cl4 Co N6 O -","- C9 H29 Cl4 Co N6 O -","- C18 H58 Cl8 Co2 N12 O2 -","2","1","","Choi, Min-Ho; Kim, Bok Jo; Kim, Il-Chool; Kim, Seo-Hyang; Kim, Yang; Harrowfield, Jack M.; Lee, Man-Kil; Mocerino, Mauro; Rukmini, Elisabeth; Skelton, Brian W.; White, Allan H.","Inter- and intra-molecular pathways in polyamine synthesis from diamines †","Journal of the Chemical Society, Dalton Transactions","2001","","5","707","","10.1039/b008452m","","","0.71073","MoKα","","0.035","0.031","","0.041","","0.041","","","1.159","","","1.273","","","","has coordinates","176432","2020-10-21","18:00:00","" "7010400","21.636","0.006","17.446","0.005","10.36","0.004","90","","94.82","0.03","90","","3897","2","293","","293","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C17 H67 Cl8 N8 O7.5 -","- C17 H64 Cl8 N8 O7.5 -","- C68 H256 Cl32 N32 O30 -","4","0.5","","Choi, Min-Ho; Kim, Bok Jo; Kim, Il-Chool; Kim, Seo-Hyang; Kim, Yang; Harrowfield, Jack M.; Lee, Man-Kil; Mocerino, Mauro; Rukmini, Elisabeth; Skelton, Brian W.; White, Allan H.","Inter- and intra-molecular pathways in polyamine synthesis from diamines †","Journal of the Chemical Society, Dalton Transactions","2001","","5","707","","10.1039/b008452m","","","0.71073","MoKα","","0.0769","0.057","","0.069","","0.06","","","1.856","","","1.945","","","","has coordinates","176432","2020-10-21","18:00:00","" "7010401","12.531","0.004","12.271","0.002","10.075","0.002","99.22","0.01","112.61","0.02","90.64","0.02","1407.2","0.6","293","","293","","","","","","","","","6","P -1","-P 1","2","","","","- C17 H48 Cl4 Cu2 N8 O2 -","- C17 H44 Cl4 Cu2 N8 O2 -","- C34 H88 Cl8 Cu4 N16 O4 -","2","1","","Choi, Min-Ho; Kim, Bok Jo; Kim, Il-Chool; Kim, Seo-Hyang; Kim, Yang; Harrowfield, Jack M.; Lee, Man-Kil; Mocerino, Mauro; Rukmini, Elisabeth; Skelton, Brian W.; White, Allan H.","Inter- and intra-molecular pathways in polyamine synthesis from diamines †","Journal of the Chemical Society, Dalton Transactions","2001","","5","707","","10.1039/b008452m","","","0.71073","Mo-Kα","","0.059","0.047","","0.053","","0.052","","","2.085","","","2.262","","","","has coordinates","176432","2020-10-21","18:00:00","" "7010402","22.843","0.009","18.422","0.006","15.489","0.005","90","","90","","90","","6518","4","293","","293","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C17 H50 Cu2 N12 O15 -","- C17 H46 Cu2 N12 O15 -","- C136 H368 Cu16 N96 O120 -","8","1","","Choi, Min-Ho; Kim, Bok Jo; Kim, Il-Chool; Kim, Seo-Hyang; Kim, Yang; Harrowfield, Jack M.; Lee, Man-Kil; Mocerino, Mauro; Rukmini, Elisabeth; Skelton, Brian W.; White, Allan H.","Inter- and intra-molecular pathways in polyamine synthesis from diamines †","Journal of the Chemical Society, Dalton Transactions","2001","","5","707","","10.1039/b008452m","","","0.71073","MoKα","","0.0789","0.0494","","0.0715","","0.0611","","","1.383","","","1.486","","","","has coordinates","211332","2020-10-21","18:00:00","" "7010403","17.339","0.007","15.529","0.004","12.625","0.004","90","","90","","90","","3399","2","293","","293","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C23 H57 Cl5 Co N6 O4.5 -","- C23 H52 Cl5 Co N6 O4.505 -","- C92 H208 Cl20 Co4 N24 O18.02 -","4","1","","Choi, Min-Ho; Kim, Bok Jo; Kim, Il-Chool; Kim, Seo-Hyang; Kim, Yang; Harrowfield, Jack M.; Lee, Man-Kil; Mocerino, Mauro; Rukmini, Elisabeth; Skelton, Brian W.; White, Allan H.","Inter- and intra-molecular pathways in polyamine synthesis from diamines †","Journal of the Chemical Society, Dalton Transactions","2001","","5","707","","10.1039/b008452m","","","0.71073","MoKα","","0.06","0.046","","0.05","","0.048","","","1.945","","","1.967","","","","has coordinates","176432","2020-10-21","18:00:00","" "7010404","6.5904","0.0008","17.471","0.002","19.014","0.002","90","","96.038","0.002","90","","2177.1","0.4","153","","153","","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C13 H32 Cl Cu F6 N5 O3.5 P -","- C13 H29 Cl Cu F6 N5 O3.5 P -","- C52 H116 Cl4 Cu4 F24 N20 O14 P4 -","4","1","","Choi, Min-Ho; Kim, Bok Jo; Kim, Il-Chool; Kim, Seo-Hyang; Kim, Yang; Harrowfield, Jack M.; Lee, Man-Kil; Mocerino, Mauro; Rukmini, Elisabeth; Skelton, Brian W.; White, Allan H.","Inter- and intra-molecular pathways in polyamine synthesis from diamines †","Journal of the Chemical Society, Dalton Transactions","2001","","5","707","","10.1039/b008452m","","","0.71073","MoKα","","0.092","0.051","","0.062","","0.056","","","1.183","","","1.35","","","","has coordinates","176432","2020-10-21","18:00:00","" "7010405","19.018","0.003","9.015","0.002","12.256","0.002","90","","97.504","0.002","90","","2083.3","0.7","153","","153","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C13 H31 Cu N7 O9 -","- C13 H31 Cu N7 O9 -","- C52 H124 Cu4 N28 O36 -","4","0.5","","Choi, Min-Ho; Kim, Bok Jo; Kim, Il-Chool; Kim, Seo-Hyang; Kim, Yang; Harrowfield, Jack M.; Lee, Man-Kil; Mocerino, Mauro; Rukmini, Elisabeth; Skelton, Brian W.; White, Allan H.","Inter- and intra-molecular pathways in polyamine synthesis from diamines †","Journal of the Chemical Society, Dalton Transactions","2001","","5","707","","10.1039/b008452m","","","0.71073","MoKα","","0.038","0.032","","0.044","","0.042","","","1.298","","","1.352","","","","has coordinates","176432","2020-10-21","18:00:00","" "7010406","17.439","0.004","8.0368","0.0016","15.946","0.003","90","","112.59","0.03","90","","2063.4","0.9","298","","298","","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C12 H27 Cl4 Cu2 N5 O2 -","- C12 H27 Cl4 Cu2 N5 O2 -","- C48 H108 Cl16 Cu8 N20 O8 -","4","1","","Choi, Min-Ho; Kim, Bok Jo; Kim, Il-Chool; Kim, Seo-Hyang; Kim, Yang; Harrowfield, Jack M.; Lee, Man-Kil; Mocerino, Mauro; Rukmini, Elisabeth; Skelton, Brian W.; White, Allan H.","Inter- and intra-molecular pathways in polyamine synthesis from diamines †","Journal of the Chemical Society, Dalton Transactions","2001","","5","707","","10.1039/b008452m","","","0.71073","MoKα","","0.0498","0.0394","","0.095","","0.103","","","1.158","","","1.159","","","","has coordinates","176432","2020-10-21","18:00:00","" "7010407","9.363","0.002","10.57","0.002","16.03","0.003","76.17","0.01","74.56","0.01","79.08","0.01","1471.4","0.5","296","","","","","","","","","","Organometallic Chemistry laboratory, RIKEN","6","P -1","-P 1","2","","","","?","- C31 H37 Cl2 Rh Si Zr -","- C62 H74 Cl4 Rh2 Si2 Zr2 -","2","1","","Takayama, Chikako; Yamaguchi, Yoshitaka; Mise, Takaya; Suzuki, Noriyuki","Electronic effects in homogeneous Ziegler‒Natta catalysts: Zr‒Rh early‒late heterobimetallic complexes †","Journal of the Chemical Society, Dalton Transactions","2001","","6","948","","10.1039/b008491n","","","0.71073","MoK-alpha","","","0.041","","","0.069","","","","","2.885","2.885","","","","","has coordinates","179808","2020-10-21","18:00:00","" "7010408","9.7793","0.0008","10.2885","0.0005","12.913","0.001","73.448","0.005","89.832","0.007","63.875","0.005","1106.77","0.15","296.2","","","","","","","","","","","5","P -1","-P 1","2","","","","- C22 H30 Cl2 Si Zr -","- C22 H30 Cl2 Si Zr -","- C44 H60 Cl4 Si2 Zr2 -","2","1","","Takayama, Chikako; Yamaguchi, Yoshitaka; Mise, Takaya; Suzuki, Noriyuki","Electronic effects in homogeneous Ziegler‒Natta catalysts: Zr‒Rh early‒late heterobimetallic complexes †","Journal of the Chemical Society, Dalton Transactions","2001","","6","948","","10.1039/b008491n","","","0.7107","MoKα","","","0.0291","","","","0.0475","","","","","","1.252","","","","has coordinates","176453","2020-10-21","18:00:00","" "7010409","10.641","0.005","10.763","0.004","16.634","0.004","108.27","0.03","91.13","0.04","105.45","0.04","1732.5","1.2","213","2","213","2","","","","","","","","4","P -1","-P 1","2","","","","- C37 H53 In N4 -","- C37 H53 In N4 -","- C74 H106 In2 N8 -","2","1","","Coward, Kathleen M.; Jones, Anthony C.; Steiner, Alexander; Bickley, Jamie F.; Smith, Lesley M.; Pemble, Martyn E.","Synthesis and crystal structures of trimethylindium adducts with bidentate and macrocyclic tertiary amines","Journal of the Chemical Society, Dalton Transactions","2001","","1","41","","10.1039/b008600m","","","0.71073","MoKα","","0.0569","0.037","","","0.0774","0.0809","","","","","","0.855","","","","has coordinates","179808","2020-10-21","18:00:00","" "7010410","18.113","0.003","8.3668","0.0007","18.058","0.003","90","","106.182","0.018","90","","2628.2","0.7","213","2","213","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C23 H40 In2 N2 -","- C23 H40 In2 N2 -","- C92 H160 In8 N8 -","4","1","","Coward, Kathleen M.; Jones, Anthony C.; Steiner, Alexander; Bickley, Jamie F.; Smith, Lesley M.; Pemble, Martyn E.","Synthesis and crystal structures of trimethylindium adducts with bidentate and macrocyclic tertiary amines","Journal of the Chemical Society, Dalton Transactions","2001","","1","41","","10.1039/b008600m","","","0.71073","MoKα","","0.0415","0.0317","","","0.0762","0.0805","","","","","","0.973","","","","has coordinates","179808","2020-10-21","18:00:00","" "7010411","7.8656","0.0011","18.871","0.003","12.6821","0.0018","90","","96.714","0.017","90","","1869.5","0.5","213","2","213","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C26 H64 In4 N4 -","- C26 H64 In4 N4 -","- C52 H128 In8 N8 -","2","0.5","","Coward, Kathleen M.; Jones, Anthony C.; Steiner, Alexander; Bickley, Jamie F.; Smith, Lesley M.; Pemble, Martyn E.","Synthesis and crystal structures of trimethylindium adducts with bidentate and macrocyclic tertiary amines","Journal of the Chemical Society, Dalton Transactions","2001","","1","41","","10.1039/b008600m","","","0.71073","MoKα","","0.0721","0.064","","","0.1757","0.178","","","","","","1.275","","","","has coordinates","179808","2020-10-21","18:00:00","" "7010412","10.6624","0.0016","22.856","0.003","11.6461","0.0017","90","","108.184","0.017","90","","2696.4","0.7","200","2","200","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C36 H96 In6 N6 -","- C36 H96 In6 N6 -","- C72 H192 In12 N12 -","2","0.5","","Coward, Kathleen M.; Jones, Anthony C.; Steiner, Alexander; Bickley, Jamie F.; Smith, Lesley M.; Pemble, Martyn E.","Synthesis and crystal structures of trimethylindium adducts with bidentate and macrocyclic tertiary amines","Journal of the Chemical Society, Dalton Transactions","2001","","1","41","","10.1039/b008600m","","","0.71073","MoKα","","0.0389","0.0256","","","0.0554","0.058","","","","","","0.915","","","","has coordinates","179808","2020-10-21","18:00:00","" "7010413","16.7598","0.0018","12.55","0.0011","7.2607","0.0018","90","","90","","90","","1527.2","0.4","293","2","293","2","","","","","","","","6","P n a 21","P 2c -2n","33","[2-(_7-C7H7)-7,11-F2-2,1-MoTeB10H8]","","","- C7 H15 B10 F2 Mo Te -","- C7 H15 B10 F2 Mo Te -","- C28 H60 B40 F8 Mo4 Te4 -","4","1","","Fabrizia Fabrizi di Biani; Franco Laschi; Piero Zanello; George Ferguson; James Trotter; Gerald M. O'Riordan; Trevor R. Spalding","Synthesis, structure, spectroscopic and electrochemical study of the paramagnetic compound [2-(η7-C7H7)-7,11-F2-2,1-closo-MoTeB10H8]","J. Chem. Soc., Dalton Trans.","2001","","9","1520","1523","10.1039/b008692o","","","0.71073","MolybdenumKα","","0.0422","0.0291","","","0.0652","0.0685","","","","","","1.005","","","","has coordinates","211332","2020-10-21","18:00:00","" "7010414","17.1864","0.0008","13.0928","0.0006","11.1356","0.0005","90","","113.952","0.001","90","","2289.93","0.18","173","2","173","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C12 H28 B2 F8 N2 O4 Pd S2 -","- C12 H28 B2 F8 N2 O4 Pd S2 -","- C48 H112 B8 F32 N8 O16 Pd4 S8 -","4","0.5","","Kaminskaia, Natalia V.; Kostić, Nenad M.","Acetoxime coordinates to palladium(II) and is catalytically hydrolysed to acetone†","Journal of the Chemical Society, Dalton Transactions","2001","","7","1083","","10.1039/b008753j","","","0.71073","MoKα","","0.025","0.0225","","","0.0617","0.0629","","","","","","1.053","","","","has coordinates","179808","2020-10-21","18:00:00","" "7010415","8.9338","0.0004","21.3111","0.001","10.8059","0.0005","90","","95.616","0.002","90","","2047.45","0.16","160","2","160","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C32 H64 Mg2 N4 O2 Si4 -","- C32 H64 Mg2 N4 O2 Si4 -","- C64 H128 Mg4 N8 O4 Si8 -","2","0.5","","Armstrong, David R.; Clegg, William; Mulvey, Robert E.; Rowlings, René B.","Synthesis and crystal structure of the new heteroleptic magnesium bis(amide) [{Mg[μ-N(H)Ph][N(SiMe3)2]·THF }2], and density functional MO calculations on model systems †","Journal of the Chemical Society, Dalton Transactions","2001","","4","409","","10.1039/b008756o","","","0.71073","MoKα","","0.0358","0.0299","","0.0803","0.077","","","","1.091","1.112","1.112","","","","","has coordinates","179808","2020-10-21","18:00:00","" "7010417","8.2659","0.0004","12.2862","0.0006","10.6536","0.0005","90","","110.668","0.001","90","","1012.31","0.08","273.2","","294","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H26 N4 O10 Pb -","- C12 H26 N4 O10 Pb -","- C24 H52 N8 O20 Pb2 -","2","0.5","","Hambley, Trevor W.; Lindoy, Leonard F.; Reimers, Jeffrey R.; Turner, Peter; Wei, Gang; Widmer-Cooper, Asaph N.","Macrocyclic ligand design. X-Ray, DFT and solution studies of the effect of N-methylation and N-benzylation of 1,4,10,13-tetraoxa-7,16-diazacyclooctadecane on its affinity for selected transition and post-transition metal ions","Journal of the Chemical Society, Dalton Transactions","2001","","5","614","","10.1039/b008789k","","","0.71069","MoKα","","0.0365","0.0207","","0.0245","","0.0223","","","1.869","","","2.11","","","","has coordinates","176453","2020-10-21","18:00:00","" "7010418","15.3255","0.0005","8.5474","0.0003","14.5016","0.0005","90","","97.427","0.001","90","","1883.67","0.11","273.2","","294","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C12 H26 Ag F6 N2 O4 P -","- C12 H26 Ag F6 N2 O4 P -","- C48 H104 Ag4 F24 N8 O16 P4 -","4","0.5","","Hambley, Trevor W.; Lindoy, Leonard F.; Reimers, Jeffrey R.; Turner, Peter; Wei, Gang; Widmer-Cooper, Asaph N.","Macrocyclic ligand design. X-Ray, DFT and solution studies of the effect of N-methylation and N-benzylation of 1,4,10,13-tetraoxa-7,16-diazacyclooctadecane on its affinity for selected transition and post-transition metal ions","Journal of the Chemical Society, Dalton Transactions","2001","","5","614","","10.1039/b008789k","","","0.71069","MoKα","","0.0363","0.0345","","0.0376","","0.0375","","","3.815","","","3.976","","","","has coordinates","176453","2020-10-21","18:00:00","" "7010419","14.258","0.002","12.203","0.001","12.622","0.001","90","","98.895","0.002","90","","2169.7","0.4","273.2","","294","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C14 H30 Ag F6 N2 O4 P -","- C14 H30 Ag F6 N2 O4 P -","- C56 H120 Ag4 F24 N8 O16 P4 -","4","1","","Hambley, Trevor W.; Lindoy, Leonard F.; Reimers, Jeffrey R.; Turner, Peter; Wei, Gang; Widmer-Cooper, Asaph N.","Macrocyclic ligand design. X-Ray, DFT and solution studies of the effect of N-methylation and N-benzylation of 1,4,10,13-tetraoxa-7,16-diazacyclooctadecane on its affinity for selected transition and post-transition metal ions","Journal of the Chemical Society, Dalton Transactions","2001","","5","614","","10.1039/b008789k","","","0.71069","MoKα","","0.0318","0.0318","","0.0259","","0.0259","","","1.56","","","1.56","","","","has coordinates","176453","2020-10-21","18:00:00","" "7010420","10.6622","0.0006","29.681","0.002","9.2715","0.0005","90","","90","","90","","2934.1","0.3","297","2","297","2","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C26 H38 Ag F6 N2 O4 P -","- C26 H38 Ag F6 N2 O4 P -","- C104 H152 Ag4 F24 N8 O16 P4 -","4","1","","Hambley, Trevor W.; Lindoy, Leonard F.; Reimers, Jeffrey R.; Turner, Peter; Wei, Gang; Widmer-Cooper, Asaph N.","Macrocyclic ligand design. X-Ray, DFT and solution studies of the effect of N-methylation and N-benzylation of 1,4,10,13-tetraoxa-7,16-diazacyclooctadecane on its affinity for selected transition and post-transition metal ions","Journal of the Chemical Society, Dalton Transactions","2001","","5","614","","10.1039/b008789k","","","0.71073","MoKα","","0.036","0.0319","","","0.0812","0.0834","","","","","","1.172","","","","has coordinates","213973","2020-10-21","18:00:00","" "7010421","9.9095","0.0003","12.2197","0.0004","16.2582","0.0005","90","","99.935","0.002","90","","1939.2","0.11","160","2","160","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C16 H29 Li N2 O4 Si -","- C16 H29 Li N2 O4 Si -","- C64 H116 Li4 N8 O16 Si4 -","4","1","","Liddle, Stephen T.; Clegg, William","Cation-induced structural variations in the alkali metal derivatives of 2-trimethylsilylaminopyridine: synthesis and X-ray structures of complexes for all five metals Li‒Cs with 12-crown-4 †","Journal of the Chemical Society, Dalton Transactions","2001","","4","402","","10.1039/b008852h","","","0.71073","MoKα","","0.0303","0.0277","","","0.0733","0.0749","","","","","","1.028","","","","has coordinates","213973","2020-10-21","18:00:00","" "7010422","13.3161","0.0005","22.3535","0.0008","17.0658","0.0006","90","","106.458","0.002","90","","4871.7","0.3","160","2","160","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C40 H74 N4 Na2 O10 Si2 -","- C40 H74 N4 Na2 O10 Si2 -","- C160 H296 N16 Na8 O40 Si8 -","4","1","","Liddle, Stephen T.; Clegg, William","Cation-induced structural variations in the alkali metal derivatives of 2-trimethylsilylaminopyridine: synthesis and X-ray structures of complexes for all five metals Li‒Cs with 12-crown-4 †","Journal of the Chemical Society, Dalton Transactions","2001","","4","402","","10.1039/b008852h","","","0.71073","MoKα","","0.0425","0.0336","","","0.0907","0.0962","","","","","","1.046","","","","has coordinates,has disorder","213973","2020-10-21","18:00:00","" "7010423","10.5289","0.0007","11.6308","0.0008","11.9792","0.0008","71.065","0.002","88.749","0.002","72.796","0.002","1321.03","0.16","160","2","160","2","","","","","","","","6","P -1","-P 1","2","","","","- C46 H74 K2 N4 O8 Si2 -","- C46 H74 K2 N4 O8 Si2 -","- C46 H74 K2 N4 O8 Si2 -","1","0.5","","Liddle, Stephen T.; Clegg, William","Cation-induced structural variations in the alkali metal derivatives of 2-trimethylsilylaminopyridine: synthesis and X-ray structures of complexes for all five metals Li‒Cs with 12-crown-4 †","Journal of the Chemical Society, Dalton Transactions","2001","","4","402","","10.1039/b008852h","","","0.71073","MoKα","","0.0717","0.0564","","","0.1484","0.1547","","","","","","0.95","","","","has coordinates","213973","2020-10-21","18:00:00","" "7010424","9.8861","0.0015","10.0654","0.0015","11.9755","0.0017","106.949","0.002","108.155","0.002","91.402","0.002","1074.4","0.3","160","2","160","2","","","","","","","","6","P -1","-P 1","2","","","","- C32 H58 N4 O8 Rb2 Si2 -","- C32 H58 N4 O8 Rb2 Si2 -","- C32 H58 N4 O8 Rb2 Si2 -","1","0.5","","Liddle, Stephen T.; Clegg, William","Cation-induced structural variations in the alkali metal derivatives of 2-trimethylsilylaminopyridine: synthesis and X-ray structures of complexes for all five metals Li‒Cs with 12-crown-4 †","Journal of the Chemical Society, Dalton Transactions","2001","","4","402","","10.1039/b008852h","","","0.71073","MoKα","","0.0658","0.0534","","","0.1289","0.1318","","","","","","0.947","","","","has coordinates","213973","2020-10-21","18:00:00","" "7010425","10.7464","0.0007","11.5129","0.0007","13.734","0.0008","93.177","0.002","111.692","0.002","93.177","0.002","1571.16","0.17","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C52 H84 Cs4 N8 O16 -","- C52 H84 Cs4 N8 O16 -","- C52 H84 Cs4 N8 O16 -","1","0.5","","Liddle, Stephen T.; Clegg, William","Cation-induced structural variations in the alkali metal derivatives of 2-trimethylsilylaminopyridine: synthesis and X-ray structures of complexes for all five metals Li‒Cs with 12-crown-4 †","Journal of the Chemical Society, Dalton Transactions","2001","","4","402","","10.1039/b008852h","","","0.693","synchrotron","","0.0529","0.0371","","","0.0839","0.0871","","","","","","0.908","","","","has coordinates","213973","2020-10-21","18:00:00","" "7010426","10.4715","0.0012","10.9862","0.0013","12.0328","0.0014","65.913","0.002","71.886","0.002","83.028","0.002","1201.1","0.2","160","2","160","2","","","","","","","","6","P -1","-P 1","2","","","","- C39 H66 Cs2 N4 O8 Si2 -","- C32 H58 Cs2 N4 O8 Si2 -","- C32 H58 Cs2 N4 O8 Si2 -","1","0.5","","Liddle, Stephen T.; Clegg, William","Cation-induced structural variations in the alkali metal derivatives of 2-trimethylsilylaminopyridine: synthesis and X-ray structures of complexes for all five metals Li‒Cs with 12-crown-4 †","Journal of the Chemical Society, Dalton Transactions","2001","","4","402","","10.1039/b008852h","","","0.71073","MoKα","","0.0963","0.055","","","0.1245","0.1347","","","","","","0.842","","","","has coordinates","213973","2020-10-21","18:00:00","" "7010427","10.133","0.004","15.499","0.003","16.426","0.005","73.39","0.02","87.07","0.03","87.51","0.03","2467.7","1.3","295","2","295","2","","","","","","","","8","P -1","-P 1","2","","","","- C55 H45 N Ni O P2 S2 Se -","- C55 H45 N Ni O P2 S2 Se1.005 -","- C110 H90 N2 Ni2 O2 P4 S4 Se2.01 -","2","1","","Liaw, Wen-Feng; Chen, Chien-Hong; Lee, Chien-Ming; Lee, Gene-Hsiang; Peng, Shie-Ming","Distorted square planar nickel(II) carbonyl complexes containing terminal thiolate/selenolate ligands","Journal of the Chemical Society, Dalton Transactions","2001","","2","138","","10.1039/b008902h","","","0.71073","MoKα","","0.0995","0.039","","0.1038","0.0895","","","","1.007","1.212","1.212","","","","","has coordinates,has disorder","179808","2020-10-21","18:00:00","" "7010428","10.114","0.003","15.504","0.003","16.402","0.003","73.35","0.02","87.06","0.02","87.5","0.02","2459.8","1","295","2","295","2","","","","","","","","8","P -1","-P 1","2","","","","- C55 H45 N Ni O P2 S Se2 -","- C55 H45 N Ni O P2 S Se2 -","- C110 H90 N2 Ni2 O2 P4 S2 Se4 -","2","1","","Liaw, Wen-Feng; Chen, Chien-Hong; Lee, Chien-Ming; Lee, Gene-Hsiang; Peng, Shie-Ming","Distorted square planar nickel(II) carbonyl complexes containing terminal thiolate/selenolate ligands","Journal of the Chemical Society, Dalton Transactions","2001","","2","138","","10.1039/b008902h","","","0.71073","MoKα","","0.2318","0.0968","","0.1923","0.1619","","","","1.051","1.561","1.561","","","","","has coordinates,has disorder","179808","2020-10-21","18:00:00","" "7010429","12.0656","0.0004","20.2301","0.0005","16.9836","0.0006","90","","102.651","0.002","90","","4044.9","0.2","173.2","","173.2","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C39 H33 F12 N4 O P3 Ru -","- C39 H33 F12 N4 O P3 Ru -","- C156 H132 F48 N16 O4 P12 Ru4 -","4","1","","Rogers, Cerrie W.; Patrick, Brian O.; Rettig, Steven J.; Wolf, Michael O.","Ligand-assisted O-dealkylation of bis(bipyridyl) ruthenium(II) phosphine-ether complexes †","Journal of the Chemical Society, Dalton Transactions","2001","","8","1278","","10.1039/b008931l","","","0.7107","MoKα","","0.045","0.031","","0.086","","0.042","","","1.466","","","1.47","","","","has coordinates","176453","2020-10-21","18:00:00","" "7010430","13.2591","0.0004","14.2123","0.0005","19.93","0.001","90","","90","","90","","3755.7","0.3","173.2","","173.2","","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C35 H33 F12 N4 O P3 Ru -","- C35 H33 F12 N4 O P3 Ru -","- C140 H132 F48 N16 O4 P12 Ru4 -","4","1","","Rogers, Cerrie W.; Patrick, Brian O.; Rettig, Steven J.; Wolf, Michael O.","Ligand-assisted O-dealkylation of bis(bipyridyl) ruthenium(II) phosphine-ether complexes †","Journal of the Chemical Society, Dalton Transactions","2001","","8","1278","","10.1039/b008931l","","","0.7107","MoKα","","0.0839","0.048","","0.1191","","0.057","","","1.336","","","1.336","","","","has coordinates","176453","2020-10-21","18:00:00","" "7010431","29.844","0.001","10.7577","0.0006","26.255","0.001","90","","90","","90","","8429.2","0.6","173.2","","173.2","","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C40 H35 F12 N4 O P3 Ru -","- C40 H35 F12 N4 O P3 Ru -","- C320 H280 F96 N32 O8 P24 Ru8 -","8","2","","Rogers, Cerrie W.; Patrick, Brian O.; Rettig, Steven J.; Wolf, Michael O.","Ligand-assisted O-dealkylation of bis(bipyridyl) ruthenium(II) phosphine-ether complexes †","Journal of the Chemical Society, Dalton Transactions","2001","","8","1278","","10.1039/b008931l","","","0.7107","MoKα","","0.0935","0.0547","","","0.1065","0.1179","","","","","","0.919","","","","has coordinates","176453","2020-10-21","18:00:00","" "7010432","10.682","0.005","11.427","0.005","14.375","0.005","97.02","0.005","105.6","0.005","94.07","0.005","1667.4","1.2","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C32 H38 B N6 P Ru S3 -","- C32 H38 B N6 P Ru S3 -","- C64 H76 B2 N12 P2 Ru2 S6 -","2","1","","Agustín Caballero; Felipe Gómezde la Torre; Félix A. Jalón; Blanca R. Manzano; Ana M. Rodríguez; Swiatoslaw Trofimenko; Michael P. Sigalas","Synthesis and characterisation of a series of ruthenium scorpionate complexes with B‒HM agostic interactions. Crystal structure of [RuH(κ2-N,BH TpTn)(PMe3)(cod)] (TpTn = hydrotris[3-(2-thienyl)pyrazol-1-yl]borate)","J. Chem. Soc., Dalton Trans.","2001","","4","427","433","10.1039/b008986i","","","0.71069","MoKα","","0.0883","0.0487","","","0.1069","0.1503","","","","","","1.061","","","","has coordinates,has disorder","213973","2020-10-21","18:00:00","" "7010433","7.074","0.002","12.042","0.003","38.653","0.003","90","","90.62","0.02","90","","3292.5","1.3","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C31 H26 Cl2 N6 Ni O11 -","- C31 H26 Cl2 N6 Ni O11 -","- C124 H104 Cl8 N24 Ni4 O44 -","4","1","","Amoroso, Angelo J.; Burrows, Miles W.; Dickinson, Anthony A.; Jones, Cameron; Willock, David J.; Wong, Wing-Tak","Geometrical preferences of complexes of terpyridine N-oxide ligands: synthesis and crystal structures of nickel(II) with terpyridine 1,1',1″-trioxide, terpyridine 1,1″-dioxide and terpyridine 1-oxide","Journal of the Chemical Society, Dalton Transactions","2001","","3","225","","10.1039/b008993l","","","0.71073","MoKα","","0.2144","0.0698","","","0.1548","0.1905","","","","","","0.947","","","","has coordinates","213973","2020-10-21","18:00:00","" "7010434","11.9325","0.0002","17.6619","0.0002","21.2455","0.0003","90","","90","","90","","4477.5","0.11","173","","173","","","","","","","","","7","P c c n","-P 2ab 2ac","56","","","","- C44 H56 Ag B F4 O11 P2 -","- C44 H52 Ag0.5 B F4 O11 P2 -","- C176 H208 Ag2 B4 F16 O44 P8 -","4","0.5","","Jeunesse, Catherine; Dieleman, Cedric; Steyer, Stéphane; Matt, Dominique","Calix[4]arene-derived diphosphines, diphosphinites and diphosphites as chelating ligands for transition metal ions. Encapsulation of silver(I) in a calix-crown diphosphite","Journal of the Chemical Society, Dalton Transactions","2001","","6","881","","10.1039/b009005k","","","0.71073","Mo-Kα","","0.066","0.049","","0.101","","0.062","","","1.757","","","1.158","","","","has coordinates","179808","2020-10-21","18:00:00","" "7010435","22.798","0.003","11.0091","0.0016","12.582","0.0018","90","","112.375","0.002","90","","2920.1","0.7","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C13 H20 Al N O -","- C13 H20 Al N O -","- C104 H160 Al8 N8 O8 -","8","1","","Huang, Yi-Lun; Huang, Bor-Hunn; Ko, Bao-Tsan; Lin, Chu-Chieh","Reactions of amides with organoaluminium: a useful synthetic route to aluminium diketiminates †","Journal of the Chemical Society, Dalton Transactions","2001","","8","1359","","10.1039/b009070k","","","0.71073","MoKα","","0.075","0.0582","","","0.1904","0.2045","","","","","","1.419","","","","has coordinates","179808","2020-10-21","18:00:00","" "7010436","14.576","0.0011","13.4314","0.0009","21.021","0.0015","90","","90","","90","","4115.4","0.5","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C16 H29 Al2 N O -","- C16 H29 Al2 N O -","- C128 H232 Al16 N8 O8 -","8","1","","Huang, Yi-Lun; Huang, Bor-Hunn; Ko, Bao-Tsan; Lin, Chu-Chieh","Reactions of amides with organoaluminium: a useful synthetic route to aluminium diketiminates †","Journal of the Chemical Society, Dalton Transactions","2001","","8","1359","","10.1039/b009070k","","","0.71073","MoKα","","0.0735","0.051","","","0.182","0.2082","","","","","","1.012","","","","has coordinates","179808","2020-10-21","18:00:00","" "7010437","10.1019","0.0008","9.7458","0.0008","16.2491","0.0013","90","","104.007","0.002","90","","1552.2","0.2","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C16 H18 Al N O2 -","- C16 H18 Al N O2 -","- C64 H72 Al4 N4 O8 -","4","1","","Huang, Yi-Lun; Huang, Bor-Hunn; Ko, Bao-Tsan; Lin, Chu-Chieh","Reactions of amides with organoaluminium: a useful synthetic route to aluminium diketiminates †","Journal of the Chemical Society, Dalton Transactions","2001","","8","1359","","10.1039/b009070k","","","0.71073","MoKα","","0.0427","0.0366","","","0.1281","0.1373","","","","","","1.134","","","","has coordinates","179808","2020-10-21","18:00:00","" "7010438","9.8996","0.0007","25.1651","0.0018","12.5368","0.001","90","","94.797","0.002","90","","3112.3","0.4","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C32 H31 Al Cl2 N2 -","- C32 H31 Al Cl2 N2 -","- C128 H124 Al4 Cl8 N8 -","4","1","","Huang, Yi-Lun; Huang, Bor-Hunn; Ko, Bao-Tsan; Lin, Chu-Chieh","Reactions of amides with organoaluminium: a useful synthetic route to aluminium diketiminates †","Journal of the Chemical Society, Dalton Transactions","2001","","8","1359","","10.1039/b009070k","","","0.71073","MoKα","","0.1503","0.0771","","","0.2182","0.2463","","","","","","1.236","","","","has coordinates","179808","2020-10-21","18:00:00","" "7010439","7.3864","0.0005","20.7461","0.0014","17.5176","0.0012","90","","98.091","0.001","90","","2657.7","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C29 H25 Al Cl2 N2 -","- C29 H25 Al Cl2 N2 -","- C116 H100 Al4 Cl8 N8 -","4","1","","Huang, Yi-Lun; Huang, Bor-Hunn; Ko, Bao-Tsan; Lin, Chu-Chieh","Reactions of amides with organoaluminium: a useful synthetic route to aluminium diketiminates †","Journal of the Chemical Society, Dalton Transactions","2001","","8","1359","","10.1039/b009070k","","","0.71073","MoKα","","0.0528","0.042","","","0.1407","0.1531","","","","","","1.152","","","","has coordinates","179808","2020-10-21","18:00:00","" "7010440","11.4366","0.0001","11.4366","0.0001","27.5591","0.0001","90","","90","","90","","3604.62","0.05","293","2","293","2","","","","","","","-","7","P 43 21 2","P 4nw 2abw","96","","","","- C16 H18 Au Cl N O2 P -","- C16 H18 Au Cl N O2 P -","- C128 H144 Au8 Cl8 N8 O16 P8 -","8","1","","Slawin, Alexandra M. Z.; Woollins, J. Derek; Zhang, Qingzhi","Novel chiral phosphine ligands and complexes from amino acid esters","Journal of the Chemical Society, Dalton Transactions","2001","","5","621","","10.1039/b009074n","","","0.71073","MoKα","","0.0474","0.0346","","0.0755","0.0655","","","","0.89","0.919","0.919","","","","","has coordinates","179808","2020-10-21","18:00:00","" "7010441","9.6722","0.0002","15.4694","0.0003","18.4553","0.0001","90","","90","","90","","2761.34","0.08","293","2","293","2","","","","","","","-","7","P 21 21 21","P 2ac 2ab","19","","","","- C28 H27 Cl2 N O2 P2 Pd -","- C28 H27 Cl2 N O2 P2 Pd -","- C112 H108 Cl8 N4 O8 P8 Pd4 -","4","1","","Slawin, Alexandra M. Z.; Woollins, J. Derek; Zhang, Qingzhi","Novel chiral phosphine ligands and complexes from amino acid esters","Journal of the Chemical Society, Dalton Transactions","2001","","5","621","","10.1039/b009074n","","","0.71073","MoKα","","0.0177","0.0159","","0.0394","0.0389","","","","1.02","1.033","1.033","","","","","has coordinates","179808","2020-10-21","18:00:00","" "7010442","9.679","0.0002","15.4917","0.0003","18.5","","90","","90","","90","","2773.97","0.08","293","2","293","2","","","","","","","-","7","P 21 21 21","P 2ac 2ab","19","","","","- C28 H27 Cl2 N O2 P2 Pt -","- C28 H27 Cl2 N O2 P2 Pt -","- C112 H108 Cl8 N4 O8 P8 Pt4 -","4","1","","Slawin, Alexandra M. Z.; Woollins, J. Derek; Zhang, Qingzhi","Novel chiral phosphine ligands and complexes from amino acid esters","Journal of the Chemical Society, Dalton Transactions","2001","","5","621","","10.1039/b009074n","","","0.71073","MoKα","","0.0345","0.0248","","0.0591","0.0511","","","","0.433","0.438","0.438","","","","","has coordinates","179808","2020-10-21","18:00:00","" "7010443","8.8209","0.0006","11.8478","0.0007","25.471","0.002","90","","90","","90","","2661.9","0.3","298","2","298","2","","","","","","","-","6","P 21 21 21","P 2ac 2ab","19","","","","- C28 H27 N O2 P2 S -","- C28 H27 N O2 P2 S -","- C112 H108 N4 O8 P8 S4 -","4","1","","Slawin, Alexandra M. Z.; Woollins, J. Derek; Zhang, Qingzhi","Novel chiral phosphine ligands and complexes from amino acid esters","Journal of the Chemical Society, Dalton Transactions","2001","","5","621","","10.1039/b009074n","","","0.71073","MoKα","","0.0505","0.0319","","0.0697","0.0627","","","","0.872","0.938","0.938","","","","","has coordinates","202017","2020-10-21","18:00:00","" "7010444","8.4844","0.0001","14.1005","0.0002","21.196","0.0001","90","","90","","90","","2535.77","0.05","293","2","293","2","","","","","","","-","5","P 21 21 21","P 2ac 2ab","19","","","","- C28 H27 N O4 P2 -","- C28 H27 N O4 P2 -","- C112 H108 N4 O16 P8 -","4","1","","Slawin, Alexandra M. Z.; Woollins, J. Derek; Zhang, Qingzhi","Novel chiral phosphine ligands and complexes from amino acid esters","Journal of the Chemical Society, Dalton Transactions","2001","","5","621","","10.1039/b009074n","","","0.71073","MoKα","","0.0656","0.0351","","0.0905","0.0743","","","","0.546","0.619","0.619","","","","","has coordinates","202017","2020-10-21","18:00:00","" "7010445","12.3753","0.0002","16.1471","0.0004","17.4554","0.0001","90","","108.893","0.001","90","","3300.11","0.1","293","2","293","2","","","","","","","-","7","P 1 21/c 1","-P 2ybc","14","","","","- C28.5 H27.5 Cl3.5 N O3 P2 Pd -","- C28.5 H27.5 Cl3.5 N O3 P2 Pd -","- C114 H110 Cl14 N4 O12 P8 Pd4 -","4","1","","Slawin, Alexandra M. Z.; Woollins, J. Derek; Zhang, Qingzhi","Novel chiral phosphine ligands and complexes from amino acid esters","Journal of the Chemical Society, Dalton Transactions","2001","","5","621","","10.1039/b009074n","","","0.71073","MoKα","","0.1131","0.0813","","0.2681","0.2083","","","","1.138","1.236","1.236","","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00","" "7010446","11.5897","0.0006","11.7592","0.0008","11.3237","0.0007","90","","109.222","0.003","90","","1457.22","0.16","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","([1-(Dimethylamino)-8-naphthyl]lithium×THF)2","","- C16 H20 Li N O -","- C16 H20 Li N O -","- C64 H80 Li4 N4 O4 -","4","1","","Jürgen Betz; Frank Hampel; Walter Bauer","The solution and solid state structure of {[1-(dimethylamino)-8-naphthyl]lithium·THF}2","J. Chem. Soc., Dalton Trans.","2001","","12","1876","1879","10.1039/b009077h","","","0.71073","MoKα","","0.0799","0.058","","","0.1519","0.1709","","","","","","0.941","","","","has coordinates","194593","2020-10-21","18:00:00","" "7010447","12.0929","0.0002","13.4161","0.0004","16.3861","0.0004","84.499","0.0014","80.911","0.0017","81.787","0.0016","2590.85","0.11","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C50 H55 Cl6 N3 P2 Ti2 -","- C50 H55 Cl6 N3 P2 Ti2 -","- C100 H110 Cl12 N6 P4 Ti4 -","2","1","","Sarsfield, Mark J.; Said, Musa; Thornton-Pett, Mark; Gerrard, Lee A.; Bochmann, Manfred","The reactivity of trimethylsilyliminophosphines towards titanium and zirconium halides","Journal of the Chemical Society, Dalton Transactions","2001","","6","822","","10.1039/b009082o","","","0.71073","MoKα","","0.0571","0.0484","","","0.1238","0.1314","","","","","","1.034","","","","has coordinates","213973","2020-10-21","18:00:00","" "7010448","19.5778","0.0005","10.3318","0.0003","19.8983","0.0004","90","","112.136","0.002","90","","3728.24","0.17","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C40 H48 Cl2 N P Ti -","- C40 H48 Cl2 N P Ti -","- C160 H192 Cl8 N4 P4 Ti4 -","4","1","","Sarsfield, Mark J.; Said, Musa; Thornton-Pett, Mark; Gerrard, Lee A.; Bochmann, Manfred","The reactivity of trimethylsilyliminophosphines towards titanium and zirconium halides","Journal of the Chemical Society, Dalton Transactions","2001","","6","822","","10.1039/b009082o","","","0.71073","MoKα","","0.0498","0.0427","","","0.112","0.1193","","","","","","1.043","","","","has coordinates","213973","2020-10-21","18:00:00","" "7010449","16.729","0.003","11.509","0.002","17.448","0.004","90","","98.13","0.03","90","","3325.6","1.2","293","2","293","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C52 H66 Cl10 N2 P2 Si2 Zr2 -","- C52 H66 Cl10 N2 P2 Si2 Zr2 -","- C104 H132 Cl20 N4 P4 Si4 Zr4 -","2","0.5","","Sarsfield, Mark J.; Said, Musa; Thornton-Pett, Mark; Gerrard, Lee A.; Bochmann, Manfred","The reactivity of trimethylsilyliminophosphines towards titanium and zirconium halides","Journal of the Chemical Society, Dalton Transactions","2001","","6","822","","10.1039/b009082o","","","0.71073","MoKα","","0.0954","0.0544","","0.2193","0.1653","","","","1.053","0.994","0.994","","","","","has coordinates","179808","2020-10-21","18:00:00","" "7010450","22.676","0.001","9.5021","0.0005","21.3807","0.0007","90","","113.031","0.003","90","","4239.7","0.3","150","2","150","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C34 H45 Cl7 N2 P2 Si2 Zr -","- C34 H45 Cl7 N2 P2 Si2 Zr -","- C136 H180 Cl28 N8 P8 Si8 Zr4 -","4","1","","Sarsfield, Mark J.; Said, Musa; Thornton-Pett, Mark; Gerrard, Lee A.; Bochmann, Manfred","The reactivity of trimethylsilyliminophosphines towards titanium and zirconium halides","Journal of the Chemical Society, Dalton Transactions","2001","","6","822","","10.1039/b009082o","","","0.71073","MoKα","","0.1608","0.1024","","","0.2","0.2288","","","","","","1.198","","","","has coordinates,has disorder","213973","2020-10-21","18:00:00","" "7010451","12.744","0.003","22.012","0.004","25.191","0.005","90","","91.4","0.03","90","","7064","3","160","2","160","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C84 H69 Cu2 N7 O2 P4 -","- C84 H66 Cu2 N7 O2 P4 -","- C336 H264 Cu8 N28 O8 P16 -","4","0.5","","Fabre, Paul-Louis; Galibert, Anne Marie; Soula, Brigitte; Dahan, Françoise; Castan, Paule","Complexation of 3,4-bis(cyanamido)cyclobutane-1,2-dione dianion with copper. Crystal structures and spectroscopic data of copper-(I) and -(II) complexes","Journal of the Chemical Society, Dalton Transactions","2001","","9","1529","","10.1039/b009239h","","","0.71073","MoKα","","0.0485","0.0406","","","0.1066","0.1126","","","","","","1.033","","","","has coordinates","179808","2020-10-21","18:00:00","" "7010452","6.9816","0.0013","14.712","0.003","14.746","0.003","90","","90.35","0.02","90","","1514.6","0.5","160","2","160","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C20 H36 Cu2 N14 O9 -","- C20 H36 Cu2 N14 O9 -","- C40 H72 Cu4 N28 O18 -","2","1","","Fabre, Paul-Louis; Galibert, Anne Marie; Soula, Brigitte; Dahan, Françoise; Castan, Paule","Complexation of 3,4-bis(cyanamido)cyclobutane-1,2-dione dianion with copper. Crystal structures and spectroscopic data of copper-(I) and -(II) complexes","Journal of the Chemical Society, Dalton Transactions","2001","","9","1529","","10.1039/b009239h","","","0.71073","MoKα","","0.0288","0.0281","","","0.0551","0.0552","","","","","","1.035","","","","has coordinates","179808","2020-10-21","18:00:00","" "7010453","15.085","0.003","12.966","0.002","7.6366","0.0013","90","","90","","90","","1493.7","0.5","160","2","160","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C12 H18 Cu N8 O2 -","- C12 H18 Cu N8 O2 -","- C48 H72 Cu4 N32 O8 -","4","1","","Fabre, Paul-Louis; Galibert, Anne Marie; Soula, Brigitte; Dahan, Françoise; Castan, Paule","Complexation of 3,4-bis(cyanamido)cyclobutane-1,2-dione dianion with copper. Crystal structures and spectroscopic data of copper-(I) and -(II) complexes","Journal of the Chemical Society, Dalton Transactions","2001","","9","1529","","10.1039/b009239h","","","0.71073","MoKα","","0.0394","0.0334","","","0.0622","0.0643","","","","","","1.061","","","","has coordinates","179808","2020-10-21","18:00:00","" "7010454","13.586","0.0009","14.0886","0.0006","15.9919","0.0006","69.997","0.001","71.314","0.002","89.535","0.001","2706.9","0.2","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","Bis[(diphenyl-(fluoren-9-yl)-silyl)cyclopentadienyl] dichloro-hafnium(IV)","","- C61.5 H49 Cl5 Hf Si2 -","- C61.5 H49 Cl5 Hf Si2 -","- C123 H98 Cl10 Hf2 Si4 -","2","1","","Vyacheslav V. Izmer; Anton Y. Agarkov; Valentina M. Nosova; Lyudmila G. Kuz'mina; Judith A. K. Howard; Irina P. Beletskaya; Alexander Z. Voskoboynikov","ansa-Metallocenes with a Ph2Si bridge: molecular structures of HfCl2[Ph2Si(η5-C13H8)(η5-C5H4)] and HfCl2[Ph2Si(C13H9)(η5-C5H4)]2","J. Chem. Soc., Dalton Trans.","2001","","7","1131","1136","10.1039/b009280k","","","0.71073","MoKα","","0.0762","0.0589","","0.2142","0.1489","","","","1.072","1.059","1.059","","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00","" "7010455","11.083","0.0002","8.9801","0.0002","28.7654","0.0006","90","","101.096","0.001","90","","2809.4","0.1","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","[h^5^-1-(diphenyl(h^5^-flyoren-9-yl)silyl)-cyclopentadienyl]- dichloro-hafnium dichlormethane solvate","","- C31 H24 Cl4 Hf Si -","- C31 H24 Cl4 Hf Si -","- C124 H96 Cl16 Hf4 Si4 -","4","1","","Vyacheslav V. Izmer; Anton Y. Agarkov; Valentina M. Nosova; Lyudmila G. Kuz'mina; Judith A. K. Howard; Irina P. Beletskaya; Alexander Z. Voskoboynikov","ansa-Metallocenes with a Ph2Si bridge: molecular structures of HfCl2[Ph2Si(η5-C13H8)(η5-C5H4)] and HfCl2[Ph2Si(C13H9)(η5-C5H4)]2","J. Chem. Soc., Dalton Trans.","2001","","7","1131","1136","10.1039/b009280k","","","0.71073","MoKα","","0.0957","0.062","","0.1679","0.1348","","","","1.108","1.136","1.136","","","","","has coordinates","179808","2020-10-21","18:00:00","" "7010456","8.8384","0.001","11.516","0.002","13.328","0.002","112.14","0.01","100.22","0.01","105.204","0.011","1153.2","0.3","293","2","293","2","","","","","","","Synthesis","6","P -1","-P 1","2","","","","- C48 H40 N2 P4 Pd S4 -","- C48 H40 N2 P4 Pd S4 -","- C48 H40 N2 P4 Pd S4 -","1","0.5","","Abbati, G. Luca; Aragoni, M. Carla; Arca, Massimiliano; Devillanova, Francesco A.; Fabretti, Antonio C.; Garau, Alessandra; Isaia, Francesco; Lippolis, Vito; Verani, Gaetano","Oxidation of palladium powder by the adduct Ph2P(S)NHP(S)Ph2·I2. Crystal structure of PdL2","Journal of the Chemical Society, Dalton Transactions","2001","","7","1105","","10.1039/b009286j","","","0.71069","MoKα","","0.0389","","","0.0821","0.0821","","","","1.046","1.046","1.046","","","","","has coordinates","179808","2020-10-21","18:00:00","" "7010457","9.399","0.001","10.244","0.002","15.691","0.003","105.41","0.01","96.36","0.01","100.5","0.01","1411.7","0.4","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","(mu-oxo)-bis[bis(1,4-pyrazine)-dichloro-oxo-rhenium(v)] hemi acetone solvate","","- C17.5 H19 Cl4 N8 O3.5 Re2 -","- C17.5 H16 Cl4 N8 O3.5 Re2 -","- C35 H32 Cl8 N16 O7 Re4 -","2","1","","Iengo, Elisabetta; Zangrando, Ennio; Mestroni, Stefano; Fronzoni, Giovanna; Stener, Mauro; Alessio, Enzo","Complexed bridging ligands: oxorhenium(V) compounds with mono-coordinated pyrazine or pyrimidine as possible building blocks for the construction of polynuclear architectures †","Journal of the Chemical Society, Dalton Transactions","2001","","8","1338","","10.1039/b009295i","","","0.71073","MoKα","","0.0641","0.0493","","0.148","0.1429","","","","1.134","1.24","1.24","","","","","has coordinates","176453","2020-10-21","18:00:00","" "7010458","11.804","0.003","9.061","0.003","14.253","0.004","90","","105.67","0.02","90","","1467.8","0.8","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","bis(1,4-pyrazine)-dichloro-ethoxy-oxo-rhenium(V)","","- C10 H13 Cl2 N4 O2 Re -","- C10 H13 Cl2 N4 O2 Re -","- C40 H52 Cl8 N16 O8 Re4 -","4","1","","Iengo, Elisabetta; Zangrando, Ennio; Mestroni, Stefano; Fronzoni, Giovanna; Stener, Mauro; Alessio, Enzo","Complexed bridging ligands: oxorhenium(V) compounds with mono-coordinated pyrazine or pyrimidine as possible building blocks for the construction of polynuclear architectures †","Journal of the Chemical Society, Dalton Transactions","2001","","8","1338","","10.1039/b009295i","","","0.71073","MoKα","","0.1516","0.0691","","","0.1823","0.2165","","","","","","1.041","","","","has coordinates","179808","2020-10-21","18:00:00","" "7010459","17.443","0.004","8.891","0.001","32.297","0.007","90","","97.8","0.02","90","","4962.5","1.7","293","2","293","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","(1,4-pyrazine)-triphenylphosphine-dichloro-ethoxy-oxo-rhenium(V)","","- C24 H24 Cl2 N2 O2 P Re -","- C24 H24 Cl2 N2 O2 P Re -","- C192 H192 Cl16 N16 O16 P8 Re8 -","8","1","","Iengo, Elisabetta; Zangrando, Ennio; Mestroni, Stefano; Fronzoni, Giovanna; Stener, Mauro; Alessio, Enzo","Complexed bridging ligands: oxorhenium(V) compounds with mono-coordinated pyrazine or pyrimidine as possible building blocks for the construction of polynuclear architectures †","Journal of the Chemical Society, Dalton Transactions","2001","","8","1338","","10.1039/b009295i","","","0.71073","MoKα","","0.0436","0.0347","","","0.1115","0.1154","","","","","","1.254","","","","has coordinates","179808","2020-10-21","18:00:00","" "7010460","9.243","0.001","14.793","0.002","10.56","0.001","90","","95.94","0.02","90","","1436.1","0.3","293","2","293","2","","","","","","","","8","P 1 2/n 1","-P 2yac","13","","trans-dioxo-tetrakis(1,4-pyrazine)-rhenium(V) sodium bis(exafluorophosphate) dihydrate","","- C16 H20 F12 N8 Na O4 P2 Re -","- C16 H20 F12 N8 Na O4 P2 Re -","- C32 H40 F24 N16 Na2 O8 P4 Re2 -","2","0.5","","Iengo, Elisabetta; Zangrando, Ennio; Mestroni, Stefano; Fronzoni, Giovanna; Stener, Mauro; Alessio, Enzo","Complexed bridging ligands: oxorhenium(V) compounds with mono-coordinated pyrazine or pyrimidine as possible building blocks for the construction of polynuclear architectures †","Journal of the Chemical Society, Dalton Transactions","2001","","8","1338","","10.1039/b009295i","","","0.71073","MoKα","","0.0561","0.0396","","0.0993","0.0955","","","","1.033","1.1","1.1","","","","","has coordinates","179808","2020-10-21","18:00:00","" "7010461","31.796","0.002","21.666","0.002","21.289","0.002","90","","90.496","0.002","90","","14665","2","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","00035","","","- C98 H203 K7 Si21 -","- C98 H203 K7 Si21 -","- C392 H812 K28 Si84 -","4","1","","Harvey, Melanie J.; Hanusa, Timothy P.; Pink, Maren","Structural characterization of the columnar alkali metal cyclopentadienide [K{C5H2(SiMe3)3-1,2,4}]∞†","Journal of the Chemical Society, Dalton Transactions","2001","","7","1128","","10.1039/b009359i","","","0.71073","MoKα","","0.2357","0.0592","","","0.1145","0.1691","","","","","","0.944","","","","has coordinates,has disorder","179808","2020-10-21","18:00:00","" "7010462","20.8354","0.0019","10.1184","0.0006","32.3655","0.0027","90","","91.815","0.003","90","","6819.9","0.9","110","2","110","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C76 H106 N2 O8 -","- C74.75 H76 N1.5 O8 -","- C299 H304 N6 O32 -","4","1","","Thuéry, Pierre; Nierlich, Martine; Vicens, Jacques; Masci, Bernardo","Uranyl ion complexation by medium and large homooxacalixarenes: from mono- to poly-uranate complexes","Journal of the Chemical Society, Dalton Transactions","2001","","6","867","","10.1039/b009364p","","","0.71073","MoKα","","0.275","0.1027","","","0.2175","0.3044","","","","","","0.955","","","","has coordinates","213973","2020-10-21","18:00:00","" "7010463","17.5673","0.0005","29.5268","0.0016","33.0321","0.0018","90","","99.59","0.003","90","","16894.5","1.4","110","2","110","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C86 H125 N5 O10 U -","- C86 H104.5 N5 O10 U -","- C688 H836 N40 O80 U8 -","8","2","","Thuéry, Pierre; Nierlich, Martine; Vicens, Jacques; Masci, Bernardo","Uranyl ion complexation by medium and large homooxacalixarenes: from mono- to poly-uranate complexes","Journal of the Chemical Society, Dalton Transactions","2001","","6","867","","10.1039/b009364p","","","0.71073","MoKα","","0.1439","0.0672","","","0.1277","0.1559","","","","","","0.991","","","","has coordinates","213973","2020-10-21","18:00:00","" "7010464","11.281","0.0004","25.6482","0.0016","17.9607","0.0011","90","","98.454","0.003","90","","5140.2","0.5","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C53.5 H57.5 N3.5 O14 U2 -","- C54 H54 N3 O14 U2 -","- C216 H216 N12 O56 U8 -","4","1","","Thuéry, Pierre; Nierlich, Martine; Vicens, Jacques; Masci, Bernardo","Uranyl ion complexation by medium and large homooxacalixarenes: from mono- to poly-uranate complexes","Journal of the Chemical Society, Dalton Transactions","2001","","6","867","","10.1039/b009364p","","","0.71073","MoKα","","0.0891","0.0514","","","0.1102","0.1265","","","","","","1.004","","","","has coordinates","176453","2020-10-21","18:00:00","" "7010465","42.749","0.009","17.169","0.005","43.577","0.01","90","","117.829","0.012","90","","28285","12","110","2","110","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C114 H185.5 N3.5 O29.5 U4 -","- C114 N3.5 O29.5 U4 -","- C912 N28 O236 U32 -","8","2","","Thuéry, Pierre; Nierlich, Martine; Vicens, Jacques; Masci, Bernardo","Uranyl ion complexation by medium and large homooxacalixarenes: from mono- to poly-uranate complexes","Journal of the Chemical Society, Dalton Transactions","2001","","6","867","","10.1039/b009364p","","","0.71073","MoKα","","0.2728","0.1156","","","0.1494","0.2136","","","","","","0.86","","","","has coordinates","176453","2020-10-21","18:00:00","" "7010466","15.501","0.016","12.623","0.014","31.39","0.014","90","","91.95","0.06","90","","6138","10","180","2","180","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C34 H26 Co O7 P W -","- C34 H26 Co O7 P W -","- C272 H208 Co8 O56 P8 W8 -","8","2","","Davies, John E.; Mays, Martin J.; Raithby, Paul R.; Sarveswaran, Koshala; Solan, Gregory A.","Alkyne‒phosphinoalkyne coupling reactions on mixed-metal tungsten‒cobalt centres; P‒C(alkyne) bond cleavage versus P‒C(alkyne) bond preservation","Journal of the Chemical Society, Dalton Transactions","2001","","8","1269","","10.1039/b009396n","","","0.71069","MoKα","","0.0592","0.0476","","0.115","0.1017","","","","1.121","1.119","1.119","","","","","has coordinates","179808","2020-10-21","18:00:00","" "7010467","9.451","0.005","9.87","0.005","35.906","0.018","90","","91.59","0.03","90","","3348","3","180","2","180","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C36 H32 Cl2 Co O4 P W -","- C36 H32 Cl2 Co O4 P W -","- C144 H128 Cl8 Co4 O16 P4 W4 -","4","1","","Davies, John E.; Mays, Martin J.; Raithby, Paul R.; Sarveswaran, Koshala; Solan, Gregory A.","Alkyne‒phosphinoalkyne coupling reactions on mixed-metal tungsten‒cobalt centres; P‒C(alkyne) bond cleavage versus P‒C(alkyne) bond preservation","Journal of the Chemical Society, Dalton Transactions","2001","","8","1269","","10.1039/b009396n","","","0.71073","MoKα","","0.0656","0.0462","","0.1178","0.0974","","","","1.167","1.155","1.155","","","","","has coordinates","179808","2020-10-21","18:00:00","" "7010468","11.688","0.006","17.919","0.009","17.359","0.009","90","","103.54","0.02","90","","3535","3","180","2","180","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C39 H30 Co Fe O8 P W -","- C39 H30 Co Fe O8 P W -","- C156 H120 Co4 Fe4 O32 P4 W4 -","4","1","","Davies, John E.; Mays, Martin J.; Raithby, Paul R.; Sarveswaran, Koshala; Solan, Gregory A.","Alkyne‒phosphinoalkyne coupling reactions on mixed-metal tungsten‒cobalt centres; P‒C(alkyne) bond cleavage versus P‒C(alkyne) bond preservation","Journal of the Chemical Society, Dalton Transactions","2001","","8","1269","","10.1039/b009396n","","","0.71073","MoKα","","0.0404","0.0308","","0.0864","0.078","","","","1.122","1.125","1.125","","","","","has coordinates","179808","2020-10-21","18:00:00","" "7010469","10.99","0.005","12.809","0.005","21.08","0.005","90","","102.81","0.04","90","","2893.6","1.9","180","2","180","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C32 H34 Co O4 P W -","- C32 H34 Co O4 P W -","- C128 H136 Co4 O16 P4 W4 -","4","1","","Davies, John E.; Mays, Martin J.; Raithby, Paul R.; Sarveswaran, Koshala; Solan, Gregory A.","Alkyne‒phosphinoalkyne coupling reactions on mixed-metal tungsten‒cobalt centres; P‒C(alkyne) bond cleavage versus P‒C(alkyne) bond preservation","Journal of the Chemical Society, Dalton Transactions","2001","","8","1269","","10.1039/b009396n","","","0.71073","MoKα","","0.0583","0.0352","","","0.0663","0.0709","","","","","","0.981","","","","has coordinates","179808","2020-10-21","18:00:00","" "7010470","15.9019","0.0001","20.5627","0.0003","8.1489","0.0001","90","","90","","90","","2664.58","0.05","293","2","293","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C20 H18 Eu2 O19 S4 -","- C20 H18 Eu2 O19 S4 -","- C80 H72 Eu8 O76 S16 -","4","0.5","","Xiong, Ren-Gen; Zhang, Jing; Chen, Zhen-Feng; You, Xiao-Zeng; Che, Chi-Ming; Fun, Hoong-Kun","In situ ligand synthesis and the first crystallographically characterized lanthanide 3-D pillared networks containing benzene-1,4-disulfonate as a building block †","Journal of the Chemical Society, Dalton Transactions","2001","","6","780","","10.1039/b009542g","","","0.71073","MoKα","","0.0627","0.0615","","","0.1567","0.1574","","","","","","1.221","","","","has coordinates","179808","2020-10-21","18:00:00","" "7010471","15.855","0.002","20.492","0.003","8.1388","0.0011","90","","90","","90","","2644.3","0.6","293","2","293","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C20 H18 Gd2 O19 S4 -","- C20 H12 Gd2 O19 S4 -","- C80 H48 Gd8 O76 S16 -","4","0.5","","Xiong, Ren-Gen; Zhang, Jing; Chen, Zhen-Feng; You, Xiao-Zeng; Che, Chi-Ming; Fun, Hoong-Kun","In situ ligand synthesis and the first crystallographically characterized lanthanide 3-D pillared networks containing benzene-1,4-disulfonate as a building block †","Journal of the Chemical Society, Dalton Transactions","2001","","6","780","","10.1039/b009542g","","","0.71073","MoKα","","0.0965","0.0877","","","0.2598","0.2649","","","","","","2.125","","","","has coordinates","179808","2020-10-21","18:00:00","" "7010472","8.2527","0.0001","16.0306","0.0001","18.2571","0.0003","90","","99.807","0.001","90","","2380.04","0.05","173","2","173","2","","","","","","","Prof. O. Casagrande - UFRGS, Porto Alegre, BR","6","P 1 21/c 1","-P 2ybc","14","","","","- C21 H15 Co2 Cr N O9 -","- C21 H15 Co2 Cr N O9 -","- C84 H60 Co8 Cr4 N4 O36 -","4","1","","Casagrande, Jr., Osvaldo L.; Gomes, Elton L. S.; Dupont, Jairton; Burrow, Robert; Lough, Alan J.","Heterometallic metal carbonyl compounds derived from (η6-arene)tricarbonylchromium bearing propargyl units","Journal of the Chemical Society, Dalton Transactions","2001","","10","1634","","10.1039/b009591p","","","0.71073","MoKα","","0.0494","0.0338","","0.069","0.064","","","","1.03","1.073","1.073","","","","","has coordinates","179808","2020-10-21","18:00:00","" "7010473","8.8575","0.0006","17.2298","0.001","17.6676","0.0011","90","","90","","90","","2696.3","0.3","150","2","150","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C28 H23 Cr Mo2 N O7 -","- C28 H23 Cr Mo2 N O7 -","- C112 H92 Cr4 Mo8 N4 O28 -","4","1","","Casagrande, Jr., Osvaldo L.; Gomes, Elton L. S.; Dupont, Jairton; Burrow, Robert; Lough, Alan J.","Heterometallic metal carbonyl compounds derived from (η6-arene)tricarbonylchromium bearing propargyl units","Journal of the Chemical Society, Dalton Transactions","2001","","10","1634","","10.1039/b009591p","","","0.71073","MoKα","","0.0583","0.0481","","","0.1113","0.118","","","","","","1.041","","","","has coordinates","179808","2020-10-21","18:00:00","" "7010474","28.777","0.002","28.965","0.003","29.868","0.003","90","","90","","90","","24896","4","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C212 H186 Cl22 N40 O32 Rh8 -","- C212 Cl22 N40 O32 Rh8 -","- C848 Cl88 N160 O128 Rh32 -","4","0.5","","Cotton, F. Albert; Lin, Chun; Murillo, Carlos A.","The first dirhodium-based supramolecular assemblies with interlocking lattices and double helices","Journal of the Chemical Society, Dalton Transactions","2001","","5","499","","10.1039/b009612l","","","0.71073","MoKα","","0.2347","0.0842","","","0.1965","0.2528","","","","","","0.873","","","","has coordinates,has disorder","179808","2020-10-21","18:00:00","" "7010475","19.458","0.001","22.577","0.001","45.763","0.002","90","","96.352","0.001","90","","19980.4","1.6","243","2","243","2","","","","","","","","6","P 1 2/c 1","-P 2yc","13","","","","- C278.1 H260.2 Cl8.2 N48 O50 Rh12 -","- C278.1 Cl8.2 N48 O50 Rh12 -","- C556.2 Cl16.4 N96 O100 Rh24 -","2","0.5","","Cotton, F. Albert; Lin, Chun; Murillo, Carlos A.","The first dirhodium-based supramolecular assemblies with interlocking lattices and double helices","Journal of the Chemical Society, Dalton Transactions","2001","","5","499","","10.1039/b009612l","","","0.71073","MoKα","","0.1403","0.0858","","","0.2441","0.2941","","","","","","1.047","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00","" "7010476","14.2593","0.0004","18.608","0.005","20.147","0.003","80.59","0.02","75.51","0.01","71.45","0.01","4886.3","1.6","213","2","213","2","","","","","","","synthesis","5","P -1","-P 1","2","","","","- C180 H192 N32 O32 Rh8 -","- C180 H185.854 N32 O32 Rh8 -","- C180 H185.854 N32 O32 Rh8 -","1","0.5","","Cotton, F. Albert; Daniels, Lee M.; Lin, Chun; Murillo, Carlos A.; Yu, Shu-Yan","Supramolecular squares with Rh24+ corners","Journal of the Chemical Society, Dalton Transactions","2001","","5","502","","10.1039/b009613j","","","0.71073","MoKα","","0.0765","0.0626","","0.1608","0.1412","","","","1.142","1.11","1.11","","","","","has coordinates,has disorder","179808","2020-10-21","18:00:00","" "7010477","19.732","0.001","13.518","0.001","34.938","0.002","90","","90.052","0.001","90","","9319.3","1","213","2","213","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C171 H126 Cl6 F16 N24 O32 Rh8 -","- C171 H120 Cl6 F16 N24 O32 Rh8 -","- C342 H240 Cl12 F32 N48 O64 Rh16 -","2","0.5","","Cotton, F. Albert; Daniels, Lee M.; Lin, Chun; Murillo, Carlos A.; Yu, Shu-Yan","Supramolecular squares with Rh24+ corners","Journal of the Chemical Society, Dalton Transactions","2001","","5","502","","10.1039/b009613j","","","0.71073","MoKα","","0.1404","0.0803","","","0.1868","0.2243","","","","","","1.037","","","","has coordinates","179808","2020-10-21","18:00:00","" "7010478","20.426","0.002","22.682","0.004","25.315","0.003","96.909","0.005","100.978","0.006","96.077","0.009","11330","3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C181.6 H200.4 N26.8 O32 Rh8 -","- C181.6 N26.8 O32 Rh8 -","- C363.2 N53.6 O64 Rh16 -","2","1","","Cotton, F. Albert; Daniels, Lee M.; Lin, Chun; Murillo, Carlos A.; Yu, Shu-Yan","Supramolecular squares with Rh24+ corners","Journal of the Chemical Society, Dalton Transactions","2001","","5","502","","10.1039/b009613j","","","0.71073","MoKα","","0.2222","0.1412","","","0.348","0.4113","","","","","","1.06","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00","" "7010479","14.681","0.003","18.661","0.003","20.742","0.004","77.818","0.003","75.205","0.004","74.44","0.003","5230.4","1.7","213","2","213","2","","","","","","","","6","P -1","-P 1","2","","","","- C176 H173 Cl4 N27 O32 Rh8 -","- C176 Cl4 N27 O32 Rh8 -","- C176 Cl4 N27 O32 Rh8 -","1","0.5","","Cotton, F. Albert; Daniels, Lee M.; Lin, Chun; Murillo, Carlos A.; Yu, Shu-Yan","Supramolecular squares with Rh24+ corners","Journal of the Chemical Society, Dalton Transactions","2001","","5","502","","10.1039/b009613j","","","0.71073","MoKα","","0.1977","0.1639","","","0.4847","0.5163","","","","","","2.094","","","","has coordinates,has disorder","179808","2020-10-21","18:00:00","" "7010480","13.2155","0.0002","24.1634","0.0003","17.2183","0.0003","90","","90.82","","90","","5497.78","0.14","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C16 H27 Cu F6 N5 O8 S2 -","- C16 H26 Cu F6 N5 O8 S2 -","- C128 H208 Cu8 F48 N40 O64 S16 -","8","2","","Riklin, Marianne; Tran, Dat; Bu, Xianhui; Laverman, Leroy E.; Ford, Peter C.","The synthesis of the ligand 5-bis[2-(3,5-dimethyl-1-pyrazolyl)ethyl]amine-1,10-phenanthroline and of its ruthenium(II) and rhenium(I) complexes. Binuclear species with Cu(I) and some photophysical properties†","Journal of the Chemical Society, Dalton Transactions","2001","","12","1813","","10.1039/b009614h","","","0.71073","MoKα","","0.0964","0.0655","","0.1715","0.1652","","","","1.801","2.111","2.111","","","","","has coordinates","179808","2020-10-21","18:00:00","" "7010481","9.419","0.002","18.22","0.002","18.1663","0.0015","90","","93.378","0.012","90","","3112.2","0.8","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C21 H34 B Cl N6 Ni O13 -","- C21 H34 B Cl N6 Ni O13 -","- C84 H136 B4 Cl4 N24 Ni4 O52 -","4","1","","Hammes, Brian S.; Carrano, Mary W.; Carrano, Carl J.","New H-bond accepting tris(pyrazolyl)borates: stabilization of metal aquo species as models for the vicinal oxygen chelate enzyme superfamily","Journal of the Chemical Society, Dalton Transactions","2001","","9","1448","","10.1039/b009621k","","","0.71073","MoKα","","0.0738","0.0525","","0.1615","0.1391","","","","0.976","0.978","0.978","","","","","has coordinates,has disorder","179808","2020-10-21","18:00:00","" "7010482","11.8559","0.0012","12.9935","0.0013","12.9957","0.0013","72.828","0.009","67.473","0.01","87.706","0.009","1760.7","0.3","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C22 H34 B Cl3 Mn N6 O14 -","- C22 H34 B Cl3 Mn N6 O14 -","- C44 H68 B2 Cl6 Mn2 N12 O28 -","2","1","","Hammes, Brian S.; Carrano, Mary W.; Carrano, Carl J.","New H-bond accepting tris(pyrazolyl)borates: stabilization of metal aquo species as models for the vicinal oxygen chelate enzyme superfamily","Journal of the Chemical Society, Dalton Transactions","2001","","9","1448","","10.1039/b009621k","","","0.71073","MoKα","","0.0701","0.0577","","0.1888","0.165","","","","1.04","1.043","1.043","","","","","has coordinates,has disorder","179808","2020-10-21","18:00:00","" "7010483","12.106","0.003","12.6519","0.0011","13.012","0.002","106.982","0.011","108.75","0.03","103.97","0.02","1676.7","0.8","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C21 H30 B Cl Cu N6 O15 -","- C21 H30 B Cl Cu N6 O15.318 -","- C42 H60 B2 Cl2 Cu2 N12 O30.636 -","2","1","","Hammes, Brian S.; Carrano, Mary W.; Carrano, Carl J.","New H-bond accepting tris(pyrazolyl)borates: stabilization of metal aquo species as models for the vicinal oxygen chelate enzyme superfamily","Journal of the Chemical Society, Dalton Transactions","2001","","9","1448","","10.1039/b009621k","","","0.71073","MoKα","","0.0747","0.0602","","0.1979","0.1766","","","","1.131","1.146","1.146","","","","","has coordinates,has disorder","179808","2020-10-21","18:00:00","" "7010484","9.0931","0.0007","9.0931","0.0007","38.333","0.003","90","","90","","90","","3169.5","0.4","150","2","150","2","","","","","","","","5","P 41 21 2","P 4abw 2nw","92","","","","- C6 H18 N9 O9 Zn1.5 -","- C6 H18 N9 O9 Zn1.5 -","- C48 H144 N72 O72 Zn12 -","8","1","","Harrison, William T. A.; Phillips, Mark L. F.; Nenoff, Tina M.; MacLean, Elizabeth J.; Teat, Simon J.; Maxwell, Robert S.","[CN3H6]2[Zn(CO3)2], the first organically templated open-framework carbonate","Journal of the Chemical Society, Dalton Transactions","2001","","5","546","","10.1039/b009641p","","","0.71073","MoKα","","","0.0305","","","0.0313","","","","","1.0943","1.0943","","","","","has coordinates","176453","2020-10-21","18:00:00","" "7010485","6.7729","0.0003","11.7016","0.0005","11.708","0.0005","85.725","0.002","78.736","0.002","78.559","0.001","891.33","0.07","173","2","173","2","","","","","","","synthesized by H. Grove","6","P -1","-P 1","2","","","","- C12 H12 Cl4 Cu2 N6 O3 -","- C12 H12 Cl4 Cu2 N6 O3 -","- C24 H24 Cl8 Cu4 N12 O6 -","2","1","","Grove, Hilde; Sletten, Jorunn; Julve, Miguel; Lloret, Francesc","Syntheses, crystal structures and magnetic properties of polynuclear 1,4,5,8,9,12-hexaazatriphenylene (hat)-bridged copper(II) complexes","Journal of the Chemical Society, Dalton Transactions","2001","","7","1029","","10.1039/b009647o","","","0.71073","MoKα","","0.0738","0.0398","","0.0877","0.0761","","","","1.052","1.13","1.13","","","","","has coordinates","179808","2020-10-21","18:00:00","" "7010486","9.3161","0.0003","15.9239","0.0004","10.1922","0.0003","90","","91.854","0.001","90","","1511.21","0.08","173","2","173","2","","","","","","","synthesized by H. Grove","5","P 1 21/n 1","-P 2yn","14","","","","- C12 H10 Cu N8 O8 -","- C12 H10 Cu N8 O8 -","- C48 H40 Cu4 N32 O32 -","4","1","","Grove, Hilde; Sletten, Jorunn; Julve, Miguel; Lloret, Francesc","Syntheses, crystal structures and magnetic properties of polynuclear 1,4,5,8,9,12-hexaazatriphenylene (hat)-bridged copper(II) complexes","Journal of the Chemical Society, Dalton Transactions","2001","","7","1029","","10.1039/b009647o","","","0.71073","MoKα","","0.0726","0.0427","","0.0945","0.0833","","","","1.046","1.1","1.1","","","","","has coordinates","179808","2020-10-21","18:00:00","" "7010487","13.5778","0.0004","9.4149","0.0001","17.8842","0.0004","90","","90","","90","","2286.2","0.09","173","2","173","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C12 H22 Cu2 N6 O16 S2 -","- C12 H22 Cu2 N6 O16 S2 -","- C48 H88 Cu8 N24 O64 S8 -","4","1","","Grove, Hilde; Sletten, Jorunn; Julve, Miguel; Lloret, Francesc","Syntheses, crystal structures and magnetic properties of polynuclear 1,4,5,8,9,12-hexaazatriphenylene (hat)-bridged copper(II) complexes","Journal of the Chemical Society, Dalton Transactions","2001","","7","1029","","10.1039/b009647o","","","0.71073","MoKα","","0.0685","0.0427","","0.0772","0.0698","","","","1.042","1.078","1.078","","","","","has coordinates","179808","2020-10-21","18:00:00","" "7010488","12.5811","0.0002","18.3389","0.0003","15.4399","0.0003","90","","90.835","0.001","90","","3561.97","0.11","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","10","","- C38 H40 N4 P2 Pt Si -","- C38 H40 N4 P2 Pt Si -","- C152 H160 N16 P8 Pt4 Si4 -","4","1","","Aucott, Stephen M.; Clarke, Matthew L.; Slawin, Alexandra M. Z.; Woollins, J. Derek","Synthesis and co-ordination chemistry of a novel multifunctional bis-phosphine containing a P‒N‒Si‒N‒P backbone","Journal of the Chemical Society, Dalton Transactions","2001","","7","972","","10.1039/b009722p","","","0.71073","MoKα","","0.0429","0.0259","","0.0597","0.0517","","","","0.931","0.974","0.974","","","","","has coordinates","179808","2020-10-21","18:00:00","" "7010489","10.3931","0.0001","13.8309","0.0002","11.7253","0.0001","90","","105.971","0.001","90","","1620.41","0.03","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","5","","- C36 H34 N4 P2 Si -","- C36 H34 N4 P2 Si -","- C72 H68 N8 P4 Si2 -","2","1","","Aucott, Stephen M.; Clarke, Matthew L.; Slawin, Alexandra M. Z.; Woollins, J. Derek","Synthesis and co-ordination chemistry of a novel multifunctional bis-phosphine containing a P‒N‒Si‒N‒P backbone","Journal of the Chemical Society, Dalton Transactions","2001","","7","972","","10.1039/b009722p","","","0.71073","MoKα","","0.0275","0.0237","","0.0607","0.0582","","","","0.967","0.989","0.989","","","","","has coordinates","202017","2020-10-21","18:00:00","" "7010490","10.0529","0.0002","15.5961","0.0006","16.3639","0.0003","101.805","0.002","105.754","0.002","95.534","0.002","2385.37","0.12","293","2","293","2","","","","","","","-","6","P -1","-P 1","2","9","9","","- C35 H31 Cl5 N4 P2 Pt -","- C35 H31 Cl5 N4 P2 Pt -","- C70 H62 Cl10 N8 P4 Pt2 -","2","1","","Aucott, Stephen M.; Clarke, Matthew L.; Slawin, Alexandra M. Z.; Woollins, J. Derek","Synthesis and co-ordination chemistry of a novel multifunctional bis-phosphine containing a P‒N‒Si‒N‒P backbone","Journal of the Chemical Society, Dalton Transactions","2001","","7","972","","10.1039/b009722p","","","0.71073","MoKα","","0.1247","0.0928","","0.3252","0.2508","","","","1.084","1.193","1.193","","","","","has coordinates","179808","2020-10-21","18:00:00","" "7010491","9.259","0.001","18.225","0.002","9.3338","0.0007","90","","118.617","0.006","90","","1382.6","0.2","173","2","173","2","","","","","","","synthesis as described","5","P 1 21/c 1","-P 2ybc","14","nov1699","","","- C24 H44 Li2 N4 Si2 -","- C24 H44 Li2 N4 Si2 -","- C48 H88 Li4 N8 Si4 -","2","0.5","","Bezombes, Jean Philippe; Hitchcock, Peter B.; Lappert, Michael F.; Merle, Philippe G.","Synthesis and structures of lithium N-trimethylsilyl- and -neopentyl-anilides and their Et2O and tmen adducts; crystal structures of [(Li{μ-N(Ph)R}-trans)2(μ-tmen)]\ιnfty (R = SiMe3 1 or CH2But 2) and [Li{μ-N(Ph)CH2But}(OEt2)]2 †","Journal of the Chemical Society, Dalton Transactions","2001","","6","816","","10.1039/b009724l","","x-ray","0.71073","MoKα","","0.1079","0.0815","","","0.189","0.2","","","","","","1.186","","","","has coordinates","213973","2020-10-21","18:00:00","" "7010492","8.0808","0.0006","19.835","0.002","9.4817","0.0006","90","","106.504","0.005","90","","1457.1","0.2","173","2","173","2","","","","","","","synthesis as described","4","P 1 21/c 1","-P 2ybc","14","[Li(tmeda)(N(Ph)CH2tBu)]","","","- C14 H24 Li N2 -","- C14 H24 Li N2 -","- C56 H96 Li4 N8 -","4","1","","Bezombes, Jean Philippe; Hitchcock, Peter B.; Lappert, Michael F.; Merle, Philippe G.","Synthesis and structures of lithium N-trimethylsilyl- and -neopentyl-anilides and their Et2O and tmen adducts; crystal structures of [(Li{μ-N(Ph)R}-trans)2(μ-tmen)]\ιnfty (R = SiMe3 1 or CH2But 2) and [Li{μ-N(Ph)CH2But}(OEt2)]2 †","Journal of the Chemical Society, Dalton Transactions","2001","","6","816","","10.1039/b009724l","","x-ray","0.71073","MoKα","","0.0871","0.0697","","","0.1819","0.1945","","","","","","1.078","","","","has coordinates","213973","2020-10-21","18:00:00","" "7010493","9.981","0.0002","16.1914","0.0004","19.2524","0.0004","90","","95.796","0.001","90","","3095.4","0.12","173","2","173","2","","","","","","","synthesis as described","5","P 1 21/n 1","-P 2yn","14","[{Li(OEt2)(PhNCH2tBu)}2]","","","- C30 H52 Li2 N2 O2 -","- C30 H52 Li2 N2 O2 -","- C120 H208 Li8 N8 O8 -","4","1","","Bezombes, Jean Philippe; Hitchcock, Peter B.; Lappert, Michael F.; Merle, Philippe G.","Synthesis and structures of lithium N-trimethylsilyl- and -neopentyl-anilides and their Et2O and tmen adducts; crystal structures of [(Li{μ-N(Ph)R}-trans)2(μ-tmen)]\ιnfty (R = SiMe3 1 or CH2But 2) and [Li{μ-N(Ph)CH2But}(OEt2)]2 †","Journal of the Chemical Society, Dalton Transactions","2001","","6","816","","10.1039/b009724l","","x-ray","0.71073","MoKα","","0.0839","0.0607","","","0.1603","0.1795","","","","","","0.955","","","","has coordinates,has disorder","213973","2020-10-21","18:00:00","" "7010494","16.4932","0.001","11.5769","0.0008","19.8969","0.0013","90","","90","","90","","3799.1","0.4","160","2","160","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C11 H25 Cl2 N7 O4 Ru S -","- C11 H23 Cl2 N7 O4 Ru S -","- C88 H184 Cl16 N56 O32 Ru8 S8 -","8","1","","Price, Clayton; Shipman, Michelle A.; Gummerson, Sarah L.; Houlton, Andrew; Clegg, William; Elsegood, Mark R. J.","Ruthenium‒carbon bond formation via cyclometallation of a nucleobase","Journal of the Chemical Society, Dalton Transactions","2001","","4","353","","10.1039/b009766g","","","0.71073","MoKα","","0.0453","0.0359","","","0.076","0.0795","","","","","","1.134","","","","has coordinates","179808","2020-10-21","18:00:00","" "7010495","8.5032","0.0007","24.3211","0.0019","8.1957","0.0006","90","","91.942","0.002","90","","1694","0.2","160","2","160","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C9 H17 Cl3 N5 O3 Ru S -","- C9 H17 Cl3 N5 O3 Ru S -","- C36 H68 Cl12 N20 O12 Ru4 S4 -","4","1","","Price, Clayton; Shipman, Michelle A.; Gummerson, Sarah L.; Houlton, Andrew; Clegg, William; Elsegood, Mark R. J.","Ruthenium‒carbon bond formation via cyclometallation of a nucleobase","Journal of the Chemical Society, Dalton Transactions","2001","","4","353","","10.1039/b009766g","","","0.71073","MoKα","","0.0747","0.0473","","","0.1102","0.1226","","","","","","1.052","","","","has coordinates","211332","2020-10-21","18:00:00","" "7010496","6.0068","0.0004","9.9518","0.0008","6.9936","0.0006","90","","110.472","0.005","90","","391.66","0.05","298","2","298","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","catena-(mu-pyrazine dibromo zinc(II))","","- C4 H4 Br2 N2 Zn -","- C4 H4 Br2 N2 Zn -","- C8 H8 Br4 N4 Zn2 -","2","0.5","","Bourne, Susan A.; Kilkenny, Mairi; Nassimbeni, Luigi R.","One- and two-dimensional coordination polymers of zinc(II) with pyrazine. Solid state reactions and decomposition kinetics of the interconversion reactions","Journal of the Chemical Society, Dalton Transactions","2001","","8","1176","","10.1039/b009771n","","","0.7107","MoKα","","0.0758","0.0677","","","0.1739","0.1864","","","","","","1.068","","","","has coordinates","213973","2020-10-21","18:00:00","" "7010497","10.1904","0.0004","10.1981","0.0006","11.1516","0.0007","90","","90","","90","","1158.9","0.11","173","2","173","2","","","","","","","","5","C c c a :2","-C 2a 2ac","68","","catena-(bis(mu-pyrazine) dibromo zinc(II))","","- C8 H8 Br2 N4 Zn -","- C7.992 H7.992 Br2 N4 Zn -","- C31.968 H31.968 Br8 N16 Zn4 -","4","0.25","","Bourne, Susan A.; Kilkenny, Mairi; Nassimbeni, Luigi R.","One- and two-dimensional coordination polymers of zinc(II) with pyrazine. Solid state reactions and decomposition kinetics of the interconversion reactions","Journal of the Chemical Society, Dalton Transactions","2001","","8","1176","","10.1039/b009771n","","","0.7107","MoKα","","0.0451","0.0301","","","0.0736","0.084","","","","","","1.071","","","","has coordinates","213973","2020-10-21","18:00:00","" "7010498","14.053","0.0006","10.058","0.0006","17.505","0.001","90","","113.913","0.003","90","","2261.9","0.2","150","2","150","2","","","","","","","synthesis as described","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H32 Br N4 -","- C22 H32 Br N4 -","- C88 H128 Br4 N16 -","4","1","","Chen, Chi-Tien; Rees, Leigh H.; Cowley, Andrew R.; Green, Malcolm L. H.","Synthesis and catalytic properties of oxalic amidinato complexes","Journal of the Chemical Society, Dalton Transactions","2001","","11","1761","","10.1039/b010017j","","","0.71073","MoKα","","0.0639","0.0429","","0.1077","0.0932","","","","1.012","1.086","1.086","","","","","has coordinates","202017","2020-10-21","18:00:00","" "7010499","11.287","0.0007","10.705","0.001","12.556","0.0011","90","","96.282","0.006","90","","1508","0.2","150","","","","","","","","","","?","5","P 1 21 1","P 2yb","4","","","","- C26 H39 Cl3 N5 Ta -","- C26 H39 Cl3 N5 Ta -","- C52 H78 Cl6 N10 Ta2 -","2","1","","Chen, Chi-Tien; Rees, Leigh H.; Cowley, Andrew R.; Green, Malcolm L. H.","Synthesis and catalytic properties of oxalic amidinato complexes","Journal of the Chemical Society, Dalton Transactions","2001","","11","1761","","10.1039/b010017j","","","0.71073","MoKα","","","0.0463","","","","0.0382","","","","","","0.8379","","","","has coordinates","179808","2020-10-21","18:00:00","" "7010500","11.623","0.001","12.225","0.001","30.868","0.001","90","","93.925","0.002","90","","4375.8","0.5","150","","150","","","","","","","","?","6","P 1 21/c 1","-P 2ybc","14","","","","- C34 H65 Cl N6 Si4 Zr -","- C34 H65 Cl N6 Si4 Zr -","- C136 H260 Cl4 N24 Si16 Zr4 -","4","1","","Chen, Chi-Tien; Rees, Leigh H.; Cowley, Andrew R.; Green, Malcolm L. H.","Synthesis and catalytic properties of oxalic amidinato complexes","Journal of the Chemical Society, Dalton Transactions","2001","","11","1761","","10.1039/b010017j","","","0.71069","MoKα","","","0.0529","","","","0.0378","","","","","","1.0439","","","","has coordinates","176453","2020-10-21","18:00:00","" "7010501","17.409","0.009","13.762","0.004","20.048","0.006","90","","99.402","0.018","90","","4739","3","173","2","173","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C50 H59 B F4 Mo N4 O -","- C50 H59 B F4 Mo N4 O -","- C200 H236 B4 F16 Mo4 N16 O4 -","4","1","","Adams, Christopher J.; Anderson, Kirsty M.; Bartlett, Ian M.; Connelly, Neil G.; Orpen, A. Guy; Paget, Timothy J.; Phetmung, Hirihattaya; Smith, David W.","Molybdenum-based alkyne‒isocyanide coupling reactions: synthesis of a reactive diiminometallacyclopentene complex","Journal of the Chemical Society, Dalton Transactions","2001","","8","1284","","10.1039/b010018h","","","0.71073","MoKα","","0.2035","0.0719","","","0.1151","0.158","","","","","","0.973","","","","has coordinates","179809","2020-10-21","18:00:00","" "7010502","8.8714","0.0011","14.597","0.002","19.138","0.003","90","","91.475","0.016","90","","2477.5","0.6","173","2","173","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C32 H28 N2 -","- C32 H28 N2 -","- C128 H112 N8 -","4","1","","Adams, Christopher J.; Anderson, Kirsty M.; Bartlett, Ian M.; Connelly, Neil G.; Orpen, A. Guy; Paget, Timothy J.; Phetmung, Hirihattaya; Smith, David W.","Molybdenum-based alkyne‒isocyanide coupling reactions: synthesis of a reactive diiminometallacyclopentene complex","Journal of the Chemical Society, Dalton Transactions","2001","","8","1284","","10.1039/b010018h","","","0.71073","MoKα","","0.0498","0.0367","","","0.0935","0.0996","","","","","","1.058","","","","has coordinates","202017","2020-10-21","18:00:00","" "7010503","15.989","0.005","15.553","0.005","16.489","0.005","90","","113.917","0.014","90","","3748","2","173","2","173","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C38 H44 B Cl2 F4 Mo N3 -","- C38 H44 B Cl2 F4 Mo N3 -","- C152 H176 B4 Cl8 F16 Mo4 N12 -","4","1","","Adams, Christopher J.; Anderson, Kirsty M.; Bartlett, Ian M.; Connelly, Neil G.; Orpen, A. Guy; Paget, Timothy J.; Phetmung, Hirihattaya; Smith, David W.","Molybdenum-based alkyne‒isocyanide coupling reactions: synthesis of a reactive diiminometallacyclopentene complex","Journal of the Chemical Society, Dalton Transactions","2001","","8","1284","","10.1039/b010018h","","","0.71073","MoKα","","0.1248","0.0566","","","0.1025","0.1279","","","","","","1.023","","","","has coordinates","179809","2020-10-21","18:00:00","" "7010504","16.676","0.002","16.339","0.002","21.027","0.003","90","","92.014","0.018","90","","5725.7","1.3","173","2","173","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C61 H64 B2 Cl2 F8 Mo N4 -","- C61 H64 B2 Cl2 F8 Mo N4 -","- C244 H256 B8 Cl8 F32 Mo4 N16 -","4","1","","Adams, Christopher J.; Anderson, Kirsty M.; Bartlett, Ian M.; Connelly, Neil G.; Orpen, A. Guy; Paget, Timothy J.; Phetmung, Hirihattaya; Smith, David W.","Molybdenum-based alkyne‒isocyanide coupling reactions: synthesis of a reactive diiminometallacyclopentene complex","Journal of the Chemical Society, Dalton Transactions","2001","","8","1284","","10.1039/b010018h","","","0.71073","MoKα","","0.0888","0.0481","","","0.1169","0.1323","","","","","","0.956","","","","has coordinates","179809","2020-10-21","18:00:00","" "7010505","8.269","0.002","14.598","0.003","15.379","0.003","103.043","0.018","90.989","0.019","92.729","0.019","1805.7","0.7","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C37.09 H42.09 B Cl2.1 F4 Mo N3 -","- C37.094 H42.094 B Cl2.094 F4 Mo N3 -","- C74.188 H84.188 B2 Cl4.188 F8 Mo2 N6 -","2","1","","Adams, Christopher J.; Anderson, Kirsty M.; Bartlett, Ian M.; Connelly, Neil G.; Orpen, A. Guy; Paget, Timothy J.; Phetmung, Hirihattaya; Smith, David W.","Molybdenum-based alkyne‒isocyanide coupling reactions: synthesis of a reactive diiminometallacyclopentene complex","Journal of the Chemical Society, Dalton Transactions","2001","","8","1284","","10.1039/b010018h","","","0.71073","MoKα","","0.0439","0.0326","","","0.085","0.0887","","","","","","0.962","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00","" "7010506","20.315","0.003","13.973","0.002","16.0458","0.0017","90","","100.087","0.008","90","","4484.4","1","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C46 H51 B2 F9 Mo N4 -","- C46 H51 B2 F9 Mo N4 -","- C184 H204 B8 F36 Mo4 N16 -","4","1","","Adams, Christopher J.; Anderson, Kirsty M.; Bartlett, Ian M.; Connelly, Neil G.; Orpen, A. Guy; Paget, Timothy J.; Phetmung, Hirihattaya; Smith, David W.","Molybdenum-based alkyne‒isocyanide coupling reactions: synthesis of a reactive diiminometallacyclopentene complex","Journal of the Chemical Society, Dalton Transactions","2001","","8","1284","","10.1039/b010018h","","","0.71073","MoKα","","0.0542","0.0464","","","0.1251","0.131","","","","","","1.021","","","","has coordinates","179809","2020-10-21","18:00:00","" "7010507","10.5584","0.0008","9.818","0.0008","7.137","0.0005","90","","118.75","0.01","90","","648.64","0.11","120","2","120","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","2-chloro-1,3,2-benzodioxaborole","","- C6 H4 B Cl O2 -","- C6 H4 B Cl O2 -","- C24 H16 B4 Cl4 O8 -","4","0.5","","Coapes, R. Benjamin; Souza, Fabio E. S.; Fox, Mark A.; Batsanov, Andrei S.; Goeta, Andrés E.; Yufit, Dimitrii S.; Leech, Michael A.; Howard, Judith A. K.; Scott, Andrew J.; Clegg, William; Marder, Todd B.","Phosphine promoted substituent redistribution reactions of B-chlorocatechol borane: molecular structures of ClBcat, BrBcat and L·ClBcat (cat = 1,2-O2C6H4; L = PMe3, PEt3, PBut3, PCy3, NEt3)†","Journal of the Chemical Society, Dalton Transactions","2001","","8","1201","","10.1039/b010025k","","","0.71073","MoKα","","0.0383","0.0345","","","0.0924","0.095","","","","","","1.108","","","","has coordinates","213973","2020-10-21","18:00:00","" "7010508","10.725","0.0004","10.0682","0.0004","7.2078","0.0003","90","","119.53","0.01","90","","677.2","0.08","120","2","120","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","2-bromo-1,3,2-benzodioxaborole","","- C6 H4 B Br O2 -","- C6 H4 B Br O2 -","- C24 H16 B4 Br4 O8 -","4","0.5","","Coapes, R. Benjamin; Souza, Fabio E. S.; Fox, Mark A.; Batsanov, Andrei S.; Goeta, Andrés E.; Yufit, Dimitrii S.; Leech, Michael A.; Howard, Judith A. K.; Scott, Andrew J.; Clegg, William; Marder, Todd B.","Phosphine promoted substituent redistribution reactions of B-chlorocatechol borane: molecular structures of ClBcat, BrBcat and L·ClBcat (cat = 1,2-O2C6H4; L = PMe3, PEt3, PBut3, PCy3, NEt3)†","Journal of the Chemical Society, Dalton Transactions","2001","","8","1201","","10.1039/b010025k","","","0.71073","MoKα","","0.0255","0.0243","","","0.0629","0.0637","","","","","","1.044","","","","has coordinates","213973","2020-10-21","18:00:00","" "7010509","12.2244","0.001","16.3667","0.0014","12.7944","0.0011","90","","117.195","0.002","90","","2276.8","0.3","160","2","160","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","2-chloro-2-(trimethylphosphino)-1,3,2-benzodioxaborole","","- C9 H13 B Cl O2 P -","- C9 H13 B Cl O2 P -","- C72 H104 B8 Cl8 O16 P8 -","8","2","","Coapes, R. Benjamin; Souza, Fabio E. S.; Fox, Mark A.; Batsanov, Andrei S.; Goeta, Andrés E.; Yufit, Dimitrii S.; Leech, Michael A.; Howard, Judith A. K.; Scott, Andrew J.; Clegg, William; Marder, Todd B.","Phosphine promoted substituent redistribution reactions of B-chlorocatechol borane: molecular structures of ClBcat, BrBcat and L·ClBcat (cat = 1,2-O2C6H4; L = PMe3, PEt3, PBut3, PCy3, NEt3)†","Journal of the Chemical Society, Dalton Transactions","2001","","8","1201","","10.1039/b010025k","","","0.71073","MoKα","","0.0371","0.0317","","0.0842","0.0799","","","","1.11","1.109","1.109","","","","","has coordinates","179809","2020-10-21","18:00:00","" "7010510","13.4416","0.0012","14.0419","0.0012","14.604","0.0014","90","","90","","90","","2756.4","0.4","200","2","200","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","2-chloro-2-(triethylphosphino)-1,3,2-benzodioxaborole","","- C12 H19 B Cl O2 P -","- C12 H19 B Cl O2 P -","- C96 H152 B8 Cl8 O16 P8 -","8","1","","Coapes, R. Benjamin; Souza, Fabio E. S.; Fox, Mark A.; Batsanov, Andrei S.; Goeta, Andrés E.; Yufit, Dimitrii S.; Leech, Michael A.; Howard, Judith A. K.; Scott, Andrew J.; Clegg, William; Marder, Todd B.","Phosphine promoted substituent redistribution reactions of B-chlorocatechol borane: molecular structures of ClBcat, BrBcat and L·ClBcat (cat = 1,2-O2C6H4; L = PMe3, PEt3, PBut3, PCy3, NEt3)†","Journal of the Chemical Society, Dalton Transactions","2001","","8","1201","","10.1039/b010025k","","","0.71073","MoKα","","0.0462","0.0393","","","0.0993","0.1059","","","","","","1.074","","","","has coordinates","179809","2020-10-21","18:00:00","" "7010511","16.664","0.001","13.455","0.005","8.546","0.001","90","","90","","90","","1916.1","0.8","120","2","120","2","","","","","","","","6","P n a 21","P 2c -2n","33","","2-chloro-2-{tris-(tert-butyl)phosphino}-1,3,2-benzodioxaborole","","- C18 H31 B Cl O2 P -","- C18 H31 B Cl O2 P -","- C72 H124 B4 Cl4 O8 P4 -","4","1","","Coapes, R. Benjamin; Souza, Fabio E. S.; Fox, Mark A.; Batsanov, Andrei S.; Goeta, Andrés E.; Yufit, Dimitrii S.; Leech, Michael A.; Howard, Judith A. K.; Scott, Andrew J.; Clegg, William; Marder, Todd B.","Phosphine promoted substituent redistribution reactions of B-chlorocatechol borane: molecular structures of ClBcat, BrBcat and L·ClBcat (cat = 1,2-O2C6H4; L = PMe3, PEt3, PBut3, PCy3, NEt3)†","Journal of the Chemical Society, Dalton Transactions","2001","","8","1201","","10.1039/b010025k","","","0.71073","MoKα","","0.0306","0.0257","","","0.058","0.0598","","","","","","0.998","","","","has coordinates","179809","2020-10-21","18:00:00","" "7010512","11.541","0.002","13.426","0.003","15.07","0.003","90","","92.226","0.003","90","","2333.3","0.8","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","2-chloro-2-{tri(cyclohexyl)phosphino}-1,3,2-benzodioxaborole","","- C24 H37 B Cl O2 P -","- C24 H37 B Cl O2 P -","- C96 H148 B4 Cl4 O8 P4 -","4","1","","Coapes, R. Benjamin; Souza, Fabio E. S.; Fox, Mark A.; Batsanov, Andrei S.; Goeta, Andrés E.; Yufit, Dimitrii S.; Leech, Michael A.; Howard, Judith A. K.; Scott, Andrew J.; Clegg, William; Marder, Todd B.","Phosphine promoted substituent redistribution reactions of B-chlorocatechol borane: molecular structures of ClBcat, BrBcat and L·ClBcat (cat = 1,2-O2C6H4; L = PMe3, PEt3, PBut3, PCy3, NEt3)†","Journal of the Chemical Society, Dalton Transactions","2001","","8","1201","","10.1039/b010025k","","","0.71073","MoKα","","0.0528","0.0395","","","0.0973","0.1055","","","","","","1.045","","","","has coordinates","213973","2020-10-21","18:00:00","" "7010513","6.6037","0.0003","13.3458","0.0007","15.0557","0.0007","90","","90","","90","","1326.88","0.11","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","2-chloro-2-(triethylamino)-1,3,2-benzodioxaborole","","- C12 H19 B Cl N O2 -","- C12 H19 B Cl N O2 -","- C48 H76 B4 Cl4 N4 O8 -","4","1","","Coapes, R. Benjamin; Souza, Fabio E. S.; Fox, Mark A.; Batsanov, Andrei S.; Goeta, Andrés E.; Yufit, Dimitrii S.; Leech, Michael A.; Howard, Judith A. K.; Scott, Andrew J.; Clegg, William; Marder, Todd B.","Phosphine promoted substituent redistribution reactions of B-chlorocatechol borane: molecular structures of ClBcat, BrBcat and L·ClBcat (cat = 1,2-O2C6H4; L = PMe3, PEt3, PBut3, PCy3, NEt3)†","Journal of the Chemical Society, Dalton Transactions","2001","","8","1201","","10.1039/b010025k","","","0.71073","MoKα","","0.0239","0.0234","","","0.0632","0.064","","","","","","1.048","","","","has coordinates","179809","2020-10-21","18:00:00","" "7010514","11.7241","0.0011","12.302","0.002","18.348","0.002","93.077","0.009","103.121","0.01","114.924","0.008","2303.6","0.5","173","2","173","2","","","","","","","","8","P -1","-P 1","2","","","","- C42 H41 B Cl8 N6 O3 P Rh -","- C42 H41 B Cl8 N6 O3 P Rh -","- C84 H82 B2 Cl16 N12 O6 P2 Rh2 -","2","1","","Connelly, Neil G.; Emslie, David J. H.; Hayward, Owen D.; Orpen, A. Guy; Quayle, Michael J.","Redox-active catecholate complexes of rhodium hydrotris(pyrazolyl)borates","Journal of the Chemical Society, Dalton Transactions","2001","","6","875","","10.1039/b010061g","","","0.71073","MoKα","","0.0423","0.0342","","0.0965","0.094","","","","1.191","1.273","1.273","","","","","has coordinates,has disorder","179809","2020-10-21","18:00:00","" "7010515","21.053","0.004","14.046","0.004","14.439","0.003","90","","90","","90","","4269.8","1.7","173","2","173","2","","","","","","","","8","P n m a","-P 2ac 2n","62","","","","- C40 H39 B Cl6 N6 O2 P Rh -","- C40 H39 B Cl6 N6 O2 P Rh -","- C160 H156 B4 Cl24 N24 O8 P4 Rh4 -","4","0.5","","Connelly, Neil G.; Emslie, David J. H.; Hayward, Owen D.; Orpen, A. Guy; Quayle, Michael J.","Redox-active catecholate complexes of rhodium hydrotris(pyrazolyl)borates","Journal of the Chemical Society, Dalton Transactions","2001","","6","875","","10.1039/b010061g","","","0.71073","MoKα","","0.0907","0.0459","","0.0932","0.0779","","","","1.115","1.149","1.149","","","","","has coordinates","179809","2020-10-21","18:00:00","" "7010516","26.1501","0.0013","13.756","0.003","14.6012","0.0011","90","","90","","90","","5252.4","1.2","173","2","173","2","","","","","","","","9","P n m a","-P 2ac 2n","62","","","","- C42 H43 B Cl10 F6 N6 O2 P2 Rh -","- C42 H43 B Cl10 F6 N6 O2 P2 Rh -","- C168 H172 B4 Cl40 F24 N24 O8 P8 Rh4 -","4","0.5","","Connelly, Neil G.; Emslie, David J. H.; Hayward, Owen D.; Orpen, A. Guy; Quayle, Michael J.","Redox-active catecholate complexes of rhodium hydrotris(pyrazolyl)borates","Journal of the Chemical Society, Dalton Transactions","2001","","6","875","","10.1039/b010061g","","","0.71073","MoKα","","0.0568","0.0435","","","0.1084","0.1153","","","","","","1.04","","","","has coordinates,has disorder","213973","2020-10-21","18:00:00","" "7010517","18.336","0.002","10.335","0.0012","20.122","0.002","90","","99.178","0.009","90","","3764.4","0.7","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","1 Rh6(CO)15(P(OPh)3)","","","- C33 H15 O18 P Rh6 -","- C33 H15 O18 P Rh6 -","- C132 H60 O72 P4 Rh24 -","4","1","","Farrar, David H.; Grachova, Elena V.; Lough, Alan; Patirana, Charles; Poë, Anthony J.; Tunik, Sergey P.","Ligand effects on the structures of Rh6(CO)15L clusters","Journal of the Chemical Society, Dalton Transactions","2001","","13","2015","","10.1039/b010109p","","","0.71073","MoKα","","0.0384","0.0276","","0.066","","0.0634","","","0.973","","","1.045","","","","has coordinates","179809","2020-10-21","18:00:00","" "7010518","34.131","0.001","9.8589","0.0002","27.843","0.0008","90","","90.268","0.001","90","","9368.9","0.4","173","1","173","1","","","","","","","","7","C 1 2/c 1","-C 2yc","15","2 Rh6(CO)15(P(4-F3CC6H4)3)","","","- C37 H13 Cl3 F9 O15 P Rh6 -","- C37 H13 Cl3 F9 O15 P Rh6 -","- C296 H104 Cl24 F72 O120 P8 Rh48 -","8","1","","Farrar, David H.; Grachova, Elena V.; Lough, Alan; Patirana, Charles; Poë, Anthony J.; Tunik, Sergey P.","Ligand effects on the structures of Rh6(CO)15L clusters","Journal of the Chemical Society, Dalton Transactions","2001","","13","2015","","10.1039/b010109p","","","0.71073","MoKα","","0.0678","0.0398","","","0.0831","0.0983","","","","","","1.047","","","","has coordinates","179809","2020-10-21","18:00:00","" "7010519","27.5907","0.0008","9.804","0.0003","36.9074","0.0011","90","","101.535","0.001","90","","9781.8","0.5","150","1","150","1","","","","","","","","6","I 1 2/a 1","-I 2ya","15","3 Rh6(CO)15(P(4-ClC6H4)3)","","","- C40 H28 Cl3 O15 P Rh6 -","- C40 H28 Cl3 O15 P Rh6 -","- C320 H224 Cl24 O120 P8 Rh48 -","8","1","","Farrar, David H.; Grachova, Elena V.; Lough, Alan; Patirana, Charles; Poë, Anthony J.; Tunik, Sergey P.","Ligand effects on the structures of Rh6(CO)15L clusters","Journal of the Chemical Society, Dalton Transactions","2001","","13","2015","","10.1039/b010109p","","","0.71073","MoKα","","0.0753","0.0416","","","0.0906","0.1012","","","","","","1.04","","","","has coordinates","179809","2020-10-21","18:00:00","" "7010520","10.4639","0.0016","16.376","0.003","11.9344","0.0016","90","","112.986","0.01","90","","1882.7","0.5","173","2","173","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","4 Rh6(CO)15(P(4-FC6H4)3)","","","- C33 H12 F3 O15 P Rh6 -","- C33 H12 F3 O15 P Rh6 -","- C66 H24 F6 O30 P2 Rh12 -","2","0.5","","Farrar, David H.; Grachova, Elena V.; Lough, Alan; Patirana, Charles; Poë, Anthony J.; Tunik, Sergey P.","Ligand effects on the structures of Rh6(CO)15L clusters","Journal of the Chemical Society, Dalton Transactions","2001","","13","2015","","10.1039/b010109p","","","0.71073","MoKα","","0.0489","0.0329","","","0.0684","0.074","","","","","","1.148","","","","has coordinates","179809","2020-10-21","18:00:00","" "7010521","9.6763","0.0003","13.3834","0.0006","18.6774","0.0008","93.056","0.002","97.363","0.002","96.616","0.003","2377.14","0.17","173","1","173","1","","","","","","","","5","P -1","-P 1","2","5 Rh6(CO)15(P(4-OMeC6H4)3)","","","- C42 H35 O18 P Rh6 -","- C42 H35 O18 P Rh6 -","- C84 H70 O36 P2 Rh12 -","2","1","","Farrar, David H.; Grachova, Elena V.; Lough, Alan; Patirana, Charles; Poë, Anthony J.; Tunik, Sergey P.","Ligand effects on the structures of Rh6(CO)15L clusters","Journal of the Chemical Society, Dalton Transactions","2001","","13","2015","","10.1039/b010109p","","","0.71073","MoKα","","0.078","0.0425","","","0.1055","0.1211","","","","","","1.013","","","","has coordinates,has disorder","179809","2020-10-21","18:00:00","" "7010522","9.7893","0.0002","23.4579","0.0005","15.6844","0.0003","90","","95.979","0.001","90","","3582.12","0.13","150","1","150","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","6 Rh6(CO)15(P(n-Bu)3)","","","- C27 H27 O15 P Rh6 -","- C27 H27 O15 P Rh6 -","- C108 H108 O60 P4 Rh24 -","4","1","","Farrar, David H.; Grachova, Elena V.; Lough, Alan; Patirana, Charles; Poë, Anthony J.; Tunik, Sergey P.","Ligand effects on the structures of Rh6(CO)15L clusters","Journal of the Chemical Society, Dalton Transactions","2001","","13","2015","","10.1039/b010109p","","","0.71073","MoKα","","0.0487","0.0349","","","0.0903","0.0995","","","","","","1.064","","","","has coordinates,has disorder","179809","2020-10-21","18:00:00","" "7010523","9.4","0.002","9.841","0.002","14.668","0.003","99.08","0.01","96.83","0.01","96.27","0.01","1319","0.5","173","2","173","2","","","","","","","","5","P -1","-P 1","2","7 Rh6(CO)15(Me2SO)","","","- C17 H6 O16 Rh6 S -","- C17 H6 O16 Rh6 S -","- C34 H12 O32 Rh12 S2 -","2","1","","Farrar, David H.; Grachova, Elena V.; Lough, Alan; Patirana, Charles; Poë, Anthony J.; Tunik, Sergey P.","Ligand effects on the structures of Rh6(CO)15L clusters","Journal of the Chemical Society, Dalton Transactions","2001","","13","2015","","10.1039/b010109p","","","0.71073","MoKα","","0.0833","0.0391","","0.0908","","0.0817","","","0.81","","","1.017","","","","has coordinates","179809","2020-10-21","18:00:00","" "7010524","16.099","0.004","9.626","0.001","17.08","0.003","90","","104.39","0.01","90","","2563.8","0.8","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","8 Rh6(CO)15(MeCN)","","","- C17 H3 N O15 Rh6 -","- C17 H3 N O15 Rh6 -","- C68 H12 N4 O60 Rh24 -","4","1","","Farrar, David H.; Grachova, Elena V.; Lough, Alan; Patirana, Charles; Poë, Anthony J.; Tunik, Sergey P.","Ligand effects on the structures of Rh6(CO)15L clusters","Journal of the Chemical Society, Dalton Transactions","2001","","13","2015","","10.1039/b010109p","","","0.71073","MoKα","","0.1555","0.0654","","0.1645","","0.1255","","","1.01","","","1.146","","","","has coordinates,has disorder","179809","2020-10-21","18:00:00","" "7010525","9.466","0.002","9.832","0.003","16.608","0.004","103.07","0.02","94.5","0.03","98.62","0.03","1478.5","0.7","173","2","173","2","","","","","","","","4","P -1","-P 1","2","9 Rh6(CO)15(C8H14)","","","- C23 H14 O15 Rh6 -","- C23 H14 O15 Rh6 -","- C46 H28 O30 Rh12 -","2","1","","Farrar, David H.; Grachova, Elena V.; Lough, Alan; Patirana, Charles; Poë, Anthony J.; Tunik, Sergey P.","Ligand effects on the structures of Rh6(CO)15L clusters","Journal of the Chemical Society, Dalton Transactions","2001","","13","2015","","10.1039/b010109p","","","0.71073","MoKα","","0.1318","0.0579","","0.1579","","0.13","","","0.885","","","1.05","","","","has coordinates","179809","2020-10-21","18:00:00","" "7010526","16.113","0.003","9.55","0.002","17.013","0.003","90","","104.89","0.03","90","","2530","0.9","100","1","100","1","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","10 Rh6(CO)16)","","","- C16 O16 Rh6 -","- C16 O16 Rh6 -","- C64 O64 Rh24 -","4","1","","Farrar, David H.; Grachova, Elena V.; Lough, Alan; Patirana, Charles; Poë, Anthony J.; Tunik, Sergey P.","Ligand effects on the structures of Rh6(CO)15L clusters","Journal of the Chemical Society, Dalton Transactions","2001","","13","2015","","10.1039/b010109p","","","0.71073","MoKα","","0.104","0.0446","","0.1179","","0.1034","","","0.942","","","1.154","","","","has coordinates","179809","2020-10-21","18:00:00","" "7010527","38.964","0.003","16.7659","0.0013","15.6148","0.001","90","","94.3748","0.0017","90","","10170.9","1.3","193","2","193","2","","","","","","","","7","I 1 2/a 1","-I 2ya","15","","","","- C49 H62 Cl4 N2 O P2 Ti2 -","- C49 H62 Cl4 N2 O P2 Ti2 -","- C392 H496 Cl32 N16 O8 P16 Ti16 -","8","1","","Kamalesh Babu, Ruppa P.; McDonald, Robert; Cavell, Ronald G.","Mono- and bis-(iminophosphoranyl)methane titanium complexes","Journal of the Chemical Society, Dalton Transactions","2001","","14","2210","","10.1039/b010112p","","","0.71073","MoKα","","0.1105","0.0508","","","0.1085","0.1335","","","","","","0.889","","","","has coordinates,has disorder","179809","2020-10-21","18:00:00","" "7010528","8.228","0.0006","14.4238","0.0011","29.3043","0.0013","77.264","0.005","87.215","0.005","80.334","0.005","3343.8","0.4","213","2","213","2","","","","","","","","6","P -1","-P 1","2","","","","- C25 H44 Cl4 N2 P2 Ti2 -","- C25 H44 Cl4 N2 P2 Ti2 -","- C100 H176 Cl16 N8 P8 Ti8 -","4","2","","Kamalesh Babu, Ruppa P.; McDonald, Robert; Cavell, Ronald G.","Mono- and bis-(iminophosphoranyl)methane titanium complexes","Journal of the Chemical Society, Dalton Transactions","2001","","14","2210","","10.1039/b010112p","","","1.54184","CuKa","","0.0881","0.0749","","0.2179","0.2018","","","","1.037","1.075","1.075","","","","","has coordinates","179809","2020-10-21","18:00:00","" "7010529","14.0129","0.0013","14.0129","0.0013","23.119","0.003","90","","90","","120","","3931.5","0.7","293","2","293","2","","","","","","","","7","P 63/m","-P 6c","176","","","","- C80 H78 Ag2 F6 N12 O6 S2 -","- C79.99 H78 Ag2 F5.97 N12 O5.99 S1.99 -","- C159.98 H156 Ag4 F11.94 N24 O11.98 S3.98 -","2","0.166667","","Su, Cheng-Yong; Cai, Yue-Peng; Chen, Chun-Long; Zhang, Hua-Xin; Kang, Bei-Sheng","Coordination-directed assembly of trigonal and tetragonal molecular boxes encapsulating anionic guests †","Journal of the Chemical Society, Dalton Transactions","2001","","4","359","","10.1039/b010118o","","","0.71073","MoKα","","0.1245","0.0716","","","0.1935","0.2409","","","","","","1.05","","","","has coordinates","179809","2020-10-21","18:00:00","" "7010530","18.6162","0.0011","18.6162","0.0011","16.184","0.0013","90","","90","","90","","5608.8","0.7","293","2","293","2","","","","","","","","6","I 4/m","-I 4","87","","","","- C100 H96 Cl4 Cu2 N16 O16 -","- C100 H96 Cl4.06 Cu2 N16 O16 -","- C200 H192 Cl8.12 Cu4 N32 O32 -","2","0.125","","Su, Cheng-Yong; Cai, Yue-Peng; Chen, Chun-Long; Zhang, Hua-Xin; Kang, Bei-Sheng","Coordination-directed assembly of trigonal and tetragonal molecular boxes encapsulating anionic guests †","Journal of the Chemical Society, Dalton Transactions","2001","","4","359","","10.1039/b010118o","","","0.71073","MoKα","","0.1166","0.107","","","0.2353","0.2392","","","","","","1.136","","","","has coordinates","179809","2020-10-21","18:00:00","" "7010531","11.305","0.003","11.305","0.003","9.273","0.003","90","","90","","90","","1185.1","0.6","293","2","293","2","","","","","","","","4","P -4 21 c","P -4 2n","114","","","","- C16 H36 S4 Sn -","- C16 H36 S4 Sn -","- C32 H72 S8 Sn2 -","2","0.25","","Barone, Giampaolo; Hibbert, Thomas G.; Mahon, Mary F.; Molloy, Kieran C.; Parkin, Ivan P.; Price, Louise S.; Silaghi-Dumitrescu, Ioan","Structural distortions in homoleptic (RE)4A (E = O, S, Se; A = C, Si, Ge, Sn): implications for the CVD of tin sulfides","Journal of the Chemical Society, Dalton Transactions","2001","","23","3435","","10.1039/b010157p","","","0.7093","","","0.0492","0.0297","","","0.072","0.0821","","","","","","0.959","","","","has coordinates","179809","2020-10-21","18:00:00","" "7010532","11.888","0.001","11.888","0.001","10.221","0.001","90","","90","","90","","1444.5","0.2","293","2","293","2","","","","","","","","4","P 42/n :2","-P 4bc","86","","","","- C24 H44 S4 Sn -","- C24 H44 S4 Sn -","- C48 H88 S8 Sn2 -","2","0.25","","Barone, Giampaolo; Hibbert, Thomas G.; Mahon, Mary F.; Molloy, Kieran C.; Parkin, Ivan P.; Price, Louise S.; Silaghi-Dumitrescu, Ioan","Structural distortions in homoleptic (RE)4A (E = O, S, Se; A = C, Si, Ge, Sn): implications for the CVD of tin sulfides","Journal of the Chemical Society, Dalton Transactions","2001","","23","3435","","10.1039/b010157p","","","0.71069","MoKα","","0.0615","0.0396","","","0.0852","0.094","","","","","","1.092","","","","has coordinates","179809","2020-10-21","18:00:00","" "7010533","10.706","0.001","17.42","0.002","20.17","0.002","90","","104.719","0.008","90","","3638.2","0.7","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C42 H35 P S3 Sn -","- C42 H35 P S3 Sn -","- C168 H140 P4 S12 Sn4 -","4","1","","Barone, Giampaolo; Hibbert, Thomas G.; Mahon, Mary F.; Molloy, Kieran C.; Parkin, Ivan P.; Price, Louise S.; Silaghi-Dumitrescu, Ioan","Structural distortions in homoleptic (RE)4A (E = O, S, Se; A = C, Si, Ge, Sn): implications for the CVD of tin sulfides","Journal of the Chemical Society, Dalton Transactions","2001","","23","3435","","10.1039/b010157p","","","0.71069","MoKα","","0.0389","0.0258","","","0.0851","0.0931","","","","","","0.719","","","","has coordinates","179809","2020-10-21","18:00:00","" "7010534","9.009","0.005","12.62","0.004","16.765","0.003","90","","90.98","0.02","90","","1905.8","1.3","150","0.1","150","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C10 H16 As2 Bi I3 -","- C10 H16 As2 Bi I3 -","- C40 H64 As8 Bi4 I12 -","4","1","","Genge, Anthony R. J.; Hill, Nicholas J.; Levason, William; Reid, Gillian","Synthesis and properties of antimony(III) and bismuth(III) halide complexes of diphosphines and diarsines. Crystal structures of [Bi2I6{o-C6H4(AsMe2)2}2], [Sb2Br6{o-C6H4(PPh2)2}2], [Sb2Cl6{o-C6H4(AsMe2)2}], and [BiCl3{o-C6H4(P(O)Ph2)2}(thf)]","Journal of the Chemical Society, Dalton Transactions","2001","","7","1007","","10.1039/b010179f","","","0.71073","MoKα","","","0.0349","","","","0.0375","","","","","","1.128","","","","has coordinates","176453","2020-10-21","18:00:00","" "7010535","12.043","0.002","19.467","0.002","14.53","0.002","90","","101.8","0.02","90","","3334.4","0.8","150.2","","150.2","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C34 H28 Bi Cl3 O3 P2 -","- C34 H28 Bi Cl3 O3 P2 -","- C136 H112 Bi4 Cl12 O12 P8 -","4","1","","Genge, Anthony R. J.; Hill, Nicholas J.; Levason, William; Reid, Gillian","Synthesis and properties of antimony(III) and bismuth(III) halide complexes of diphosphines and diarsines. Crystal structures of [Bi2I6{o-C6H4(AsMe2)2}2], [Sb2Br6{o-C6H4(PPh2)2}2], [Sb2Cl6{o-C6H4(AsMe2)2}], and [BiCl3{o-C6H4(P(O)Ph2)2}(thf)]","Journal of the Chemical Society, Dalton Transactions","2001","","7","1007","","10.1039/b010179f","","","0.71073","MoKα","","0.0332","0.0332","","0.0334","","0.0334","","","1.267","","","1.267","","","","has coordinates","176453","2020-10-21","18:00:00","" "7010536","8.487","0.002","14.839","0.004","16.866","0.003","90","","98.93","0.01","90","","2098.3","0.8","150","0.1","150","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C10 H16 As2 Cl6 Sb2 -","- C10 H16 As2 Cl6 Sb2 -","- C40 H64 As8 Cl24 Sb8 -","4","1","","Genge, Anthony R. J.; Hill, Nicholas J.; Levason, William; Reid, Gillian","Synthesis and properties of antimony(III) and bismuth(III) halide complexes of diphosphines and diarsines. Crystal structures of [Bi2I6{o-C6H4(AsMe2)2}2], [Sb2Br6{o-C6H4(PPh2)2}2], [Sb2Cl6{o-C6H4(AsMe2)2}], and [BiCl3{o-C6H4(P(O)Ph2)2}(thf)]","Journal of the Chemical Society, Dalton Transactions","2001","","7","1007","","10.1039/b010179f","","","0.71073","MoKα","","0.0466","0.0466","","0.0655","","0.0655","","","3.188","","","3.188","","","","has coordinates","176453","2020-10-21","18:00:00","" "7010537","14.293","0.003","22.48","0.005","26.103","0.005","90","","90","","90","","8387","3","293","2","293","2","","","","","","","","8","C m c 21","C 2c -2","36","","","","- C28 H91 Mo8 N21 Ni3 O45 P V8 -","- C28 H86 Mo8 N21 Ni3 O45 P V8 -","- C112 H344 Mo32 N84 Ni12 O180 P4 V32 -","4","0.5","","Xu, Yan; Zhu, Dun-Ru; Guo, Zi-Jian; Shi, Yu-Jun; Zhang, Kou-Lin; You, Xiao-Zeng","Cation-induced assembly of the first mixed molybdenum‒vanadium hexadecametal host shell cluster anions","Journal of the Chemical Society, Dalton Transactions","2001","","6","772","","10.1039/b010227j","","","0.71073","MoKα","","0.1147","0.0685","","","0.1819","0.1976","","","","","","1.04","","","","has coordinates,has disorder","179809","2020-10-21","18:00:00","" "7010538","22.057","0.003","22.057","0.003","14.125","0.003","90","","90","","90","","6872","2","293","2","293","2","","","","","","","","9","P 42/n c m :2","-P 4ac 2ac","138","","","","- C16 H68 Co2 Mo8 N12 Na O52 P V8 -","- C16 H52 Co2 Mo8 N12 Na O52 P V8 -","- C64 H208 Co8 Mo32 N48 Na4 O208 P4 V32 -","4","0.25","","Xu, Yan; Zhu, Dun-Ru; Guo, Zi-Jian; Shi, Yu-Jun; Zhang, Kou-Lin; You, Xiao-Zeng","Cation-induced assembly of the first mixed molybdenum‒vanadium hexadecametal host shell cluster anions","Journal of the Chemical Society, Dalton Transactions","2001","","6","772","","10.1039/b010227j","","","0.71073","MoKα","","0.2104","0.0784","","","0.1817","0.2437","","","","","","1.073","","","","has coordinates,has disorder","179809","2020-10-21","18:00:00","" "7010539","7.236","0.004","12.55","0.007","16.764","0.01","97.566","0.011","97.065","0.01","99.265","0.012","1473.2","1.5","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H24 N4 O18 V4 -","- C24 H24 N4 O18 V4 -","- C48 H48 N8 O36 V8 -","2","1","","Xiong, Ren-Gen; Xie, Yong-Rong; You, Xiao-Zeng; Che, Chi-Ming","An unprecedented 2-D rhombic molecular grid with a triangular cavity and a V4O6 cluster as the corner unit","Journal of the Chemical Society, Dalton Transactions","2001","","6","777","","10.1039/b010231h","","","0.71073","MoKα","","0.0786","0.0548","","","0.1652","0.1963","","","","","","0.771","","","","has coordinates","213973","2020-10-21","18:00:00","" "7010540","18.454","0.002","9.156","0.002","15.8346","0.0016","90","","100.856","0.008","90","","2627.6","0.7","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","[MnCl~2~(IM2py)~2~]","Dichlorobis(2-(2-pyridyl)-4,4,5,5-tetramethylimidazpline-1-oxy)manganese(II)","","- C24 H32 Cl2 Mn N6 O2 -","- C24 H32 Cl2 Mn N6 O2 -","- C96 H128 Cl8 Mn4 N24 O8 -","4","0.5","","Yamamoto, Youhei; Suzuki, Takayoshi; Kaizaki, Sumio","Crystal structures, magnetic and spectroscopic properties of manganese(II), cobalt(II), nickel(II) and zinc(II) dichloro complexes bearing two 2-pyridyl-substituted imino nitroxides †","Journal of the Chemical Society, Dalton Transactions","2001","","10","1566","","10.1039/b010243l","","","0.71069","MoKα","","0.1084","0.0381","","","0.0931","0.11","","","","","","1.042","","","","has coordinates","179809","2020-10-21","18:00:00","" "7010541","18.5308","0.0008","8.9969","0.0005","15.9308","0.001","90","","101.837","0.004","90","","2599.5","0.2","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","[CoCl~2~(IM2py)~2~]","Dichlorobis(2-(2-pyridyl)-4,4,5,5-tetramethylimidazpline-1-oxy)cobalt(II)","","- C24 H32 Cl2 Co N6 O2 -","- C24 H32 Cl2 Co N6 O2 -","- C96 H128 Cl8 Co4 N24 O8 -","4","0.5","","Yamamoto, Youhei; Suzuki, Takayoshi; Kaizaki, Sumio","Crystal structures, magnetic and spectroscopic properties of manganese(II), cobalt(II), nickel(II) and zinc(II) dichloro complexes bearing two 2-pyridyl-substituted imino nitroxides †","Journal of the Chemical Society, Dalton Transactions","2001","","10","1566","","10.1039/b010243l","","","0.71069","MoKα","","0.0557","0.0363","","","0.0864","0.0901","","","","","","0.93","","","","has coordinates","179809","2020-10-21","18:00:00","" "7010542","18.6043","0.0012","8.9489","0.0006","15.9286","0.0013","90","","102.633","0.003","90","","2587.7","0.3","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","[NiCl~2~(IM2py)~2~]","Dichlorobis(2-(2-pyridyl)-4,4,5,5-tetramethylimidazpline-1-oxy)nickel(II)","","- C24 H32 Cl2 N6 Ni O2 -","- C24 H32 Cl2 N6 Ni O2 -","- C96 H128 Cl8 N24 Ni4 O8 -","4","0.5","","Yamamoto, Youhei; Suzuki, Takayoshi; Kaizaki, Sumio","Crystal structures, magnetic and spectroscopic properties of manganese(II), cobalt(II), nickel(II) and zinc(II) dichloro complexes bearing two 2-pyridyl-substituted imino nitroxides †","Journal of the Chemical Society, Dalton Transactions","2001","","10","1566","","10.1039/b010243l","","","0.71069","MoKα","","0.0427","0.035","","","0.0858","0.0884","","","","","","1.071","","","","has coordinates","179809","2020-10-21","18:00:00","" "7010543","18.55","0.003","9.1216","0.0016","15.806","0.0017","90","","102.46","0.01","90","","2611.5","0.7","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","[ZnCl~2~(IM2py)~2~]","Dichlorobis(2-(2-pyridyl)-4,4,5,5-tetramethylimidazpline-1-oxy)zink(II)","","- C24 H32 Cl2 N6 O2 Zn -","- C24 H32 Cl2 N6 O2 Zn -","- C96 H128 Cl8 N24 O8 Zn4 -","4","0.5","","Yamamoto, Youhei; Suzuki, Takayoshi; Kaizaki, Sumio","Crystal structures, magnetic and spectroscopic properties of manganese(II), cobalt(II), nickel(II) and zinc(II) dichloro complexes bearing two 2-pyridyl-substituted imino nitroxides †","Journal of the Chemical Society, Dalton Transactions","2001","","10","1566","","10.1039/b010243l","","","0.71069","MoKα","","0.0735","0.0333","","","0.0813","0.093","","","","","","1.002","","","","has coordinates","179809","2020-10-21","18:00:00","" "7010544","11.6484","0.0009","11.7516","0.001","17.7351","0.0014","93.233","0.002","102.549","0.001","112.306","0.001","2166.3","0.3","153","2","153","2","","","","","","","","8","P -1","-P 1","2","","","","- C32 H24 B Cl10 F13 P Rh S -","- C32 H24 B Cl10 F13 P Rh S -","- C64 H48 B2 Cl20 F26 P2 Rh2 S2 -","2","1","","Bellabarba, Ronan M.; Nieuwenhuyzen, Mark; Saunders, Graham C.","Intramolecular SNAr reactions as a route to complexes of hybrid cyclopentadienyl‒phosphine ligands: synthesis of a rhodium complex of the first η5,η1,η1-cyclopentadienyl‒phosphine‒thioether ligand","Journal of the Chemical Society, Dalton Transactions","2001","","5","512","","10.1039/b010244j","","","0.71073","MoKα","","0.0701","0.047","","","0.11","0.1204","","","","","","0.935","","","","has coordinates,has disorder","179809","2020-10-21","18:00:00","" "7010545","19.9883","0.0004","19.4365","0.0005","24.5289","0.0006","90","","91.8028","0.0005","90","","9524.8","0.4","93.2","","","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C88 H112 F24 N16 O4 P4 Ru2 -","- C88 H104 F24 N16 O4 P4 Ru2 -","- C352 H416 F96 N64 O16 P16 Ru8 -","4","1","","Kojima, Takahiko; Matsuda, Yoshihisa","Chiral induction upon coordination to form an enantiomeric bis-chelate ruthenium(II)‒tris(3-methyl-2-pyridylmethyl)amine complex","Journal of the Chemical Society, Dalton Transactions","2001","","7","958","","10.1039/b100095k","","","0.7107","MoKα","","","0.0546","","","","0.1586","","","","","","0.934","","","","has coordinates","176453","2020-10-21","18:00:00","" "7010546","8.3563","0.0001","17.482","0.0003","19.2","0.0003","104.53","0.001","90.423","0.001","102.696","0.001","2642.92","0.07","143","2","143","2","","","","","","","","8","P -1","-P 1","2","","","","- C25 H20 Au Cl3 N O2 P S -","- C25 H20 Au Cl3 N O2 P S -","- C100 H80 Au4 Cl12 N4 O8 P4 S4 -","4","2","","Wilton-Ely, James D. E. T.; Schier, Annette; Mitzel, Norbert W.; Schmidbaur, Hubert","Structural diversity in gold(I) complexes of 4-sulfanylbenzoic acid","Journal of the Chemical Society, Dalton Transactions","2001","","7","1058","","10.1039/b100113m","","","0.71073","MoKα","","0.0544","0.042","","","0.0884","0.0939","","","","","","1.032","","","","has coordinates","211332","2020-10-21","18:00:00","" "7010547","12.0102","0.0002","13.345","0.0003","17.0602","0.0003","74.062","0.001","71.819","0.001","86.963","0.001","2496.37","0.08","143","2","143","2","","","","","","","","7","P -1","-P 1","2","","","","- C25.5 H21 Au Cl O2 P S -","- C25.5 H21 Au Cl O2 P S -","- C102 H84 Au4 Cl4 O8 P4 S4 -","4","2","","Wilton-Ely, James D. E. T.; Schier, Annette; Mitzel, Norbert W.; Schmidbaur, Hubert","Structural diversity in gold(I) complexes of 4-sulfanylbenzoic acid","Journal of the Chemical Society, Dalton Transactions","2001","","7","1058","","10.1039/b100113m","","","0.71073","MoKα","","0.0293","0.0266","","","0.0629","0.0644","","","","","","1.075","","","","has coordinates","176453","2020-10-21","18:00:00","" "7010548","7.219","0.0001","14.022","0.0001","15.404","0.0002","90","","93.094","0.005","90","","1556.99","0.03","143","2","143","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","[4-Carboxyl-thiophenolato-gold(I)-triethylphosphane]-Dimer","","- C13 H20 Au O2 P S -","- C13 H20 Au O2 P S -","- C52 H80 Au4 O8 P4 S4 -","4","1","","Wilton-Ely, James D. E. T.; Schier, Annette; Mitzel, Norbert W.; Schmidbaur, Hubert","Structural diversity in gold(I) complexes of 4-sulfanylbenzoic acid","Journal of the Chemical Society, Dalton Transactions","2001","","7","1058","","10.1039/b100113m","","","0.71073","MoKα","","0.0339","0.0313","","","0.0704","0.0717","","","","","","1.115","","","","has coordinates","179809","2020-10-21","18:00:00","" "7010549","10.33","0.002","11.609","0.001","11.31","0.002","90","","107.54","0.01","90","","1293.2","0.4","297","2","297","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C6 H17 Cl2 Cu N3 O5 -","- C6 H17 Cl2 Cu N3 O5 -","- C24 H68 Cl8 Cu4 N12 O20 -","4","1","","Xia, Jiang; Li, Shu-an; Shi, Yan-bo; Yu, Kai-bei; Tang, Wen-xia","Elucidation of the mechanism of carboxy ester cleavage promoted by a Cu(ii) alkoxide complex of a tripodal ligand (N3OX)","Journal of the Chemical Society, Dalton Transactions","2001","","14","2109","","10.1039/b100159k","","","0.71073","MoKα","","0.0326","0.0259","","","0.0651","0.0669","","","","","","1.035","","","","has coordinates","206958","2020-10-21","18:00:00","" "7010550","16.816","0.003","12.065","0.004","20.293","0.004","90","","90","","90","","4117.1","1.7","153","","153","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C15 H28 Cl2 Cu N4 O5 -","- C15 H28 Cl2 Cu N4 O5 -","- C120 H224 Cl16 Cu8 N32 O40 -","8","1","","Lindoy, Leonard F.; Rambusch, Torsten; Skelton, Brian W.; White, Allan H.","Comparative DFT and X-ray structural studies of five-coordinate, N4-donor macrocyclic ligand complexes of Cu(II) and Zn(II)","Journal of the Chemical Society, Dalton Transactions","2001","","12","1857","","10.1039/b100250n","","","0.71073","MoKα","","0.146","0.067","","0.081","","0.069","","","1.205","","","1.457","","","","has coordinates","176432","2020-10-21","18:00:00","" "7010551","10.752","0.003","10.695","0.003","36.613","0.009","90","","94.79","0.03","90","","4196","2","220","2","220","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","Complex-1","","","- C32 H60 Li2 N4 O Si4 -","- C32 H60 Li2 N4 O Si4 -","- C128 H240 Li8 N16 O4 Si16 -","4","1","","Lisovskii, Anatoli; Botoshansky, Mark; Eisen, Moris S.","Towards the formation of dimeric and trimeric lithium benzamidinates: characterization of intermediate structures","Journal of the Chemical Society, Dalton Transactions","2001","","11","1692","","10.1039/b100251l","","","0.71069","MoKα","","0.2635","0.0866","","","0.1209","0.1573","","","","","","0.906","","","","has coordinates","179809","2020-10-21","18:00:00","" "7010552","13.506","0.002","14.668","0.004","30.918","0.009","90","","90","","90","","6125","3","220","1","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","Complex-2","","","- C50 H82 Li3 N7 Si6 -","- C50 H82 Li3 N7 Si6 -","- C200 H328 Li12 N28 Si24 -","4","1","","Lisovskii, Anatoli; Botoshansky, Mark; Eisen, Moris S.","Towards the formation of dimeric and trimeric lithium benzamidinates: characterization of intermediate structures","Journal of the Chemical Society, Dalton Transactions","2001","","11","1692","","10.1039/b100251l","","","0.7107","MoKα","","0.1155","0.0383","","","0.0658","0.0811","","","","","","0.878","","","","has coordinates","213973","2020-10-21","18:00:00","" "7010553","20.459","0.003","18.653","0.003","17.972","0.003","90","","109.97","0.02","90","","6446.1","1.9","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C28 H23 Hg N6 O6.5 S -","- C28 H22 Hg N6 O6.5 S -","- C224 H176 Hg8 N48 O52 S8 -","8","1","","Saladini, Monica; Menabue, Ledi; Ferrari, Erika; Iacopino, Daniela","Amide group coordination to the Hg2+ ion. Potentiometric, 1H NMR and structural study on Hg2±-N-protected amino acid systems †","Journal of the Chemical Society, Dalton Transactions","2001","","9","1513","","10.1039/b100310k","","","0.71069","MoKα","","0.2017","0.086","","0.2822","0.1947","","","","1.026","1.123","1.123","","","","","has coordinates","176453","2020-10-21","18:00:00","" "7010554","10.392","0.003","8.867","0.004","40.177","0.009","90","","91.39","0.02","90","","3701","2","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Iron-bis(2,2':6',2'':6'',2'''-quaterpyridine) diperchlorate","","- C40 H28 Cl2 Fe N8 O8 -","- C40 H28 Cl2 Fe N8 O8 -","- C160 H112 Cl8 Fe4 N32 O32 -","4","1","","Daniela Belli Dell'Amico; Fausto Calderazzo; Ulli Englert; Luca Labella; Fabio Marchetti","The first crystallographically established bis-qtpy (qtpy = 2,2'∶6',2″∶6″,2-quaterpyridine) metal complex","J. Chem. Soc., Dalton Trans.","2001","","4","357","358","10.1039/b100360g","","","1.5418","CuKα","","0.2339","0.0741","","","0.1067","0.1381","","","","","","0.753","","","","has coordinates","179809","2020-10-21","18:00:00","" "7010555","8.665","0.002","16.169","0.003","16.242","0.003","90","","93.43","0.02","90","","2271.5","0.8","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H32 Mo Te -","- C24 H32 Mo Te -","- C96 H128 Mo4 Te4 -","4","1","","Shin, Jun Ho; Savage, William; Murphy, Vincent J.; Bonanno, Jeffrey B.; Churchill, David G.; Parkin, Gerard","The syntheses, structures and reactivity of bis(tert-butylcyclopentadienyl)molybdenum derivatives: nitrogen alkylation of an η2-acetonitrile ligand and influence of the chalcogen on the barrier to inversion of chalcogenoether adducts","Journal of the Chemical Society, Dalton Transactions","2001","","11","1732","","10.1039/b100372k","","","0.71073","MoKα","","0.0907","0.0514","","0.1276","0.1094","","","","1.02","1.08","1.08","","","","","has coordinates","179809","2020-10-21","18:00:00","" "7010556","10.739","0.003","13.953","0.003","12.357","0.002","90","","91.8","0.02","90","","1850.7","0.7","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C18 H26 Mo S2 -","- C18 H26 Mo S2 -","- C72 H104 Mo4 S8 -","4","1","","Shin, Jun Ho; Savage, William; Murphy, Vincent J.; Bonanno, Jeffrey B.; Churchill, David G.; Parkin, Gerard","The syntheses, structures and reactivity of bis(tert-butylcyclopentadienyl)molybdenum derivatives: nitrogen alkylation of an η2-acetonitrile ligand and influence of the chalcogen on the barrier to inversion of chalcogenoether adducts","Journal of the Chemical Society, Dalton Transactions","2001","","11","1732","","10.1039/b100372k","","","0.71073","MoKα","","0.064","0.0401","","","0.0844","0.108","","","","","","1.077","","","","has coordinates","179809","2020-10-21","18:00:00","" "7010557","8.93","0.001","20.396","0.002","18.247","0.001","90","","92.11","0.01","90","","3321.2","0.5","298","2","298","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C24 H36 Cl6 I Mo N -","- C24 H36 Cl6 I Mo N -","- C96 H144 Cl24 I4 Mo4 N4 -","4","1","","Shin, Jun Ho; Savage, William; Murphy, Vincent J.; Bonanno, Jeffrey B.; Churchill, David G.; Parkin, Gerard","The syntheses, structures and reactivity of bis(tert-butylcyclopentadienyl)molybdenum derivatives: nitrogen alkylation of an η2-acetonitrile ligand and influence of the chalcogen on the barrier to inversion of chalcogenoether adducts","Journal of the Chemical Society, Dalton Transactions","2001","","11","1732","","10.1039/b100372k","","","0.71073","MoKα","","0.0776","0.0506","","0.1752","0.1287","","","","1.036","1.061","1.061","","","","","has coordinates","179809","2020-10-21","18:00:00","" "7010558","6.751","0.001","10.571","0.004","12.66","0.005","90","","90","","90","","903.5","0.5","293","2","293","2","","","","","","","","4","P 2 21 21","P 2bc 2","18","","","","- C18 H26 Cl2 Mo -","- C18 H26 Cl2 Mo -","- C36 H52 Cl4 Mo2 -","2","0.5","","Shin, Jun Ho; Savage, William; Murphy, Vincent J.; Bonanno, Jeffrey B.; Churchill, David G.; Parkin, Gerard","The syntheses, structures and reactivity of bis(tert-butylcyclopentadienyl)molybdenum derivatives: nitrogen alkylation of an η2-acetonitrile ligand and influence of the chalcogen on the barrier to inversion of chalcogenoether adducts","Journal of the Chemical Society, Dalton Transactions","2001","","11","1732","","10.1039/b100372k","","","0.71073","MoKα","","0.0456","0.0359","","","0.082","0.0876","","","","","","1.021","","","","has coordinates","179809","2020-10-21","18:00:00","" "7010559","7.012","0.001","10.538","0.002","12.562","0.003","90","","90","","90","","928.2","0.3","293","2","293","2","","","","","","","","4","P 2 21 21","P 2bc 2","18","","","","- C18 H26 Br2 Mo -","- C18 H26 Br2 Mo -","- C36 H52 Br4 Mo2 -","2","0.5","","Shin, Jun Ho; Savage, William; Murphy, Vincent J.; Bonanno, Jeffrey B.; Churchill, David G.; Parkin, Gerard","The syntheses, structures and reactivity of bis(tert-butylcyclopentadienyl)molybdenum derivatives: nitrogen alkylation of an η2-acetonitrile ligand and influence of the chalcogen on the barrier to inversion of chalcogenoether adducts","Journal of the Chemical Society, Dalton Transactions","2001","","11","1732","","10.1039/b100372k","","","0.71073","MoKα","","0.044","0.0358","","","0.0843","0.1044","","","","","","1.126","","","","has coordinates","179809","2020-10-21","18:00:00","" "7010560","9.7203","0.0006","11.827","0.0007","23.325","0.002","90","","100.519","0.005","90","","2636.4","0.3","298","2","298","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C32 H40 Mo -","- C32 H40 Mo -","- C128 H160 Mo4 -","4","1","","Shin, Jun Ho; Savage, William; Murphy, Vincent J.; Bonanno, Jeffrey B.; Churchill, David G.; Parkin, Gerard","The syntheses, structures and reactivity of bis(tert-butylcyclopentadienyl)molybdenum derivatives: nitrogen alkylation of an η2-acetonitrile ligand and influence of the chalcogen on the barrier to inversion of chalcogenoether adducts","Journal of the Chemical Society, Dalton Transactions","2001","","11","1732","","10.1039/b100372k","","","0.71073","MoKα","","0.0521","0.0332","","0.0893","0.0786","","","","1.06","1.085","1.085","","","","","has coordinates","179809","2020-10-21","18:00:00","" "7010561","15.601","0.003","6.283","0.001","17.732","0.003","90","","101.21","0.02","90","","1704.9","0.5","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C18 H26 Mo O -","- C18 H26 Mo O -","- C72 H104 Mo4 O4 -","4","0.5","","Shin, Jun Ho; Savage, William; Murphy, Vincent J.; Bonanno, Jeffrey B.; Churchill, David G.; Parkin, Gerard","The syntheses, structures and reactivity of bis(tert-butylcyclopentadienyl)molybdenum derivatives: nitrogen alkylation of an η2-acetonitrile ligand and influence of the chalcogen on the barrier to inversion of chalcogenoether adducts","Journal of the Chemical Society, Dalton Transactions","2001","","11","1732","","10.1039/b100372k","","","0.71073","MoKα","","0.0351","0.0293","","","0.0701","0.0725","","","","","","1.063","","","","has coordinates","179809","2020-10-21","18:00:00","" "7010562","9.705","0.002","10.997","0.002","19.599","0.004","90","","92.07","0.02","90","","2090.4","0.7","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C21 H35 Mo P -","- C21 H35 Mo P -","- C84 H140 Mo4 P4 -","4","1","","Shin, Jun Ho; Savage, William; Murphy, Vincent J.; Bonanno, Jeffrey B.; Churchill, David G.; Parkin, Gerard","The syntheses, structures and reactivity of bis(tert-butylcyclopentadienyl)molybdenum derivatives: nitrogen alkylation of an η2-acetonitrile ligand and influence of the chalcogen on the barrier to inversion of chalcogenoether adducts","Journal of the Chemical Society, Dalton Transactions","2001","","11","1732","","10.1039/b100372k","","","0.71073","MoKα","","0.0519","0.0299","","","0.0681","0.0745","","","","","","1.027","","","","has coordinates","179809","2020-10-21","18:00:00","" "7010563","8.1787","0.0013","10.265","0.0016","11.3123","0.0017","79.229","0.003","73.725","0.003","66.888","0.002","835.3","0.2","243","2","243","2","","","","","","","","3","P -1","-P 1","2","","","","- C18 H28 Mo -","- C18 H28 Mo -","- C36 H56 Mo2 -","2","1","","Shin, Jun Ho; Savage, William; Murphy, Vincent J.; Bonanno, Jeffrey B.; Churchill, David G.; Parkin, Gerard","The syntheses, structures and reactivity of bis(tert-butylcyclopentadienyl)molybdenum derivatives: nitrogen alkylation of an η2-acetonitrile ligand and influence of the chalcogen on the barrier to inversion of chalcogenoether adducts","Journal of the Chemical Society, Dalton Transactions","2001","","11","1732","","10.1039/b100372k","","","0.71073","MoKα","","0.037","0.0288","","","0.0668","0.0696","","","","","","1.007","","","","has coordinates","179809","2020-10-21","18:00:00","" "7010564","8.4901","0.0007","16.0746","0.001","20.617","0.002","90","","101.198","0.007","90","","2760.1","0.4","298","2","298","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C23 H40 Cl2 I Mo P -","- C23 H40 Cl2 I Mo P -","- C92 H160 Cl8 I4 Mo4 P4 -","4","1","","Shin, Jun Ho; Savage, William; Murphy, Vincent J.; Bonanno, Jeffrey B.; Churchill, David G.; Parkin, Gerard","The syntheses, structures and reactivity of bis(tert-butylcyclopentadienyl)molybdenum derivatives: nitrogen alkylation of an η2-acetonitrile ligand and influence of the chalcogen on the barrier to inversion of chalcogenoether adducts","Journal of the Chemical Society, Dalton Transactions","2001","","11","1732","","10.1039/b100372k","","","0.71073","MoKα","","0.1304","0.0539","","0.1189","0.0929","","","","1.017","1.131","1.131","","","","","has coordinates","179809","2020-10-21","18:00:00","" "7010565","21.214","0.007","7.089","0.001","18.633","0.003","90","","102.45","0.02","90","","2736.2","1.1","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C30 H36 Mo S2 -","- C30 H36 Mo S2 -","- C120 H144 Mo4 S8 -","4","0.5","","Shin, Jun Ho; Savage, William; Murphy, Vincent J.; Bonanno, Jeffrey B.; Churchill, David G.; Parkin, Gerard","The syntheses, structures and reactivity of bis(tert-butylcyclopentadienyl)molybdenum derivatives: nitrogen alkylation of an η2-acetonitrile ligand and influence of the chalcogen on the barrier to inversion of chalcogenoether adducts","Journal of the Chemical Society, Dalton Transactions","2001","","11","1732","","10.1039/b100372k","","","0.71073","MoKα","","0.0341","0.029","","","0.0712","0.073","","","","","","1.099","","","","has coordinates","179809","2020-10-21","18:00:00","" "7010566","8.588","0.001","15.917","0.001","16.169","0.002","90","","93.07","0.01","90","","2207.1","0.4","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H32 Mo Se -","- C24 H32 Mo Se -","- C96 H128 Mo4 Se4 -","4","1","","Shin, Jun Ho; Savage, William; Murphy, Vincent J.; Bonanno, Jeffrey B.; Churchill, David G.; Parkin, Gerard","The syntheses, structures and reactivity of bis(tert-butylcyclopentadienyl)molybdenum derivatives: nitrogen alkylation of an η2-acetonitrile ligand and influence of the chalcogen on the barrier to inversion of chalcogenoether adducts","Journal of the Chemical Society, Dalton Transactions","2001","","11","1732","","10.1039/b100372k","","","0.71073","MoKα","","0.107","0.056","","0.1568","0.1247","","","","1.056","1.068","1.068","","","","","has coordinates","179809","2020-10-21","18:00:00","" "7010567","11.023","0.003","11.239","0.003","14.012","0.004","92.13","0.02","92.25","0.02","94.92","0.02","1726.7","0.8","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C36 H52 Mo2 Se2 -","- C36 H52 Mo2 Se2 -","- C72 H104 Mo4 Se4 -","2","1","","Shin, Jun Ho; Savage, William; Murphy, Vincent J.; Bonanno, Jeffrey B.; Churchill, David G.; Parkin, Gerard","The syntheses, structures and reactivity of bis(tert-butylcyclopentadienyl)molybdenum derivatives: nitrogen alkylation of an η2-acetonitrile ligand and influence of the chalcogen on the barrier to inversion of chalcogenoether adducts","Journal of the Chemical Society, Dalton Transactions","2001","","11","1732","","10.1039/b100372k","","","0.71073","MoKα","","0.1366","0.0678","","0.1785","0.1441","","","","1.04","1.133","1.133","","","","","has coordinates,has disorder","179809","2020-10-21","18:00:00","" "7010568","17.528","0.002","19.8608","0.0015","9.0166","0.0011","90","","119.619","0.007","90","","2728.7","0.5","298","2","298","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C26 H48 Mo Si2 -","- C26 H48 Mo Si2 -","- C104 H192 Mo4 Si8 -","4","0.5","","Shin, Jun Ho; Savage, William; Murphy, Vincent J.; Bonanno, Jeffrey B.; Churchill, David G.; Parkin, Gerard","The syntheses, structures and reactivity of bis(tert-butylcyclopentadienyl)molybdenum derivatives: nitrogen alkylation of an η2-acetonitrile ligand and influence of the chalcogen on the barrier to inversion of chalcogenoether adducts","Journal of the Chemical Society, Dalton Transactions","2001","","11","1732","","10.1039/b100372k","","","0.71073","MoKα","","0.0355","0.0315","","0.0816","0.0789","","","","1.06","1.074","1.074","","","","","has coordinates","179809","2020-10-21","18:00:00","" "7010569","8.6263","0.0006","17.0614","0.0012","15.7394","0.001","90","","90.674","0.006","90","","2316.3","0.3","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H32 Mo O6 S2 -","- C20 H32 Mo O6 S2 -","- C80 H128 Mo4 O24 S8 -","4","1","","Shin, Jun Ho; Savage, William; Murphy, Vincent J.; Bonanno, Jeffrey B.; Churchill, David G.; Parkin, Gerard","The syntheses, structures and reactivity of bis(tert-butylcyclopentadienyl)molybdenum derivatives: nitrogen alkylation of an η2-acetonitrile ligand and influence of the chalcogen on the barrier to inversion of chalcogenoether adducts","Journal of the Chemical Society, Dalton Transactions","2001","","11","1732","","10.1039/b100372k","","","0.71073","MoKα","","0.0378","0.0288","","0.0699","0.0655","","","","1.05","1.07","1.07","","","","","has coordinates","179809","2020-10-21","18:00:00","" "7010570","10.814","0.006","14.229","0.008","12.368","0.006","90","","91.45","0.04","90","","1902.5","1.8","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C18 H26 Mo Se2 -","- C18 H26 Mo Se2 -","- C72 H104 Mo4 Se8 -","4","1","","Shin, Jun Ho; Savage, William; Murphy, Vincent J.; Bonanno, Jeffrey B.; Churchill, David G.; Parkin, Gerard","The syntheses, structures and reactivity of bis(tert-butylcyclopentadienyl)molybdenum derivatives: nitrogen alkylation of an η2-acetonitrile ligand and influence of the chalcogen on the barrier to inversion of chalcogenoether adducts","Journal of the Chemical Society, Dalton Transactions","2001","","11","1732","","10.1039/b100372k","","","0.71073","MoKα","","0.1753","0.0946","","","0.2287","0.298","","","","","","1.004","","","","has coordinates","179809","2020-10-21","18:00:00","" "7010571","7.679","0.004","10.914","0.004","11.027","0.005","115.07","0.03","100.9","0.04","99.74","0.03","789","0.7","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C34 H50 Fe2 N6 -","- C34 H50 Fe2 N6 -","- C34 H50 Fe2 N6 -","1","0.5","","Beer, Paul D.; Bernhardt, Paul V.","A ferrocene functionalised macrocyclic receptor for cations and anions","Journal of the Chemical Society, Dalton Transactions","2001","","9","1428","","10.1039/b100439p","","","0.71073","MoKα","","0.0594","0.0526","","","0.1395","0.1456","","","","","","1.109","","","","has coordinates","211332","2020-10-21","18:00:00","" "7010572","14.967","0.005","7.4043","0.0008","33.06","0.01","90","","90.55","0.02","90","","3663.5","1.7","569","2","569","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C34 H56 Cl2 Fe2 N6 O2 -","- C34 H56 Cl2 Fe2 N6 O2 -","- C136 H224 Cl8 Fe8 N24 O8 -","4","0.5","","Beer, Paul D.; Bernhardt, Paul V.","A ferrocene functionalised macrocyclic receptor for cations and anions","Journal of the Chemical Society, Dalton Transactions","2001","","9","1428","","10.1039/b100439p","","","0.71073","MoKα","","0.0576","0.0386","","","0.1033","0.1191","","","","","","1.056","","","","has coordinates","211332","2020-10-21","18:00:00","" "7010573","10.501","0.002","13.314","0.003","13.579","0.005","112.66","0.03","95.78","0.04","101.85","0.02","1680.3","1","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H19 N2 O1.5 S2 -","- C18 H19 N2 O1.5 S2 -","- C72 H76 N8 O6 S8 -","4","2","","Arca, Massimiliano; Blake, Alexander J.; Casabò, Jaume; Demartin, Francesco; Devillanova, Francesco A.; Garau, Alessandra; Isaia, Francesco; Lippolis, Vito; Kivekas, Raikko; Muns, Vicent; Schröder, Martin; Verani, Gaetano","Conformationally locked pentadentate macrocycles containing the 1,10-phenanthroline unit. Synthesis and crystal structure of 5-oxa-2,8-dithia[9](2,9)-1,10-phenanthrolinophane (L) and its coordination properties to NiII, PdII, PtII, RhIII and RuII †","Journal of the Chemical Society, Dalton Transactions","2001","","8","1180","","10.1039/b100493j","","","0.71073","MoKα","","0.0553","0.0497","","","0.132","0.138","","","","","","1.119","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00","" "7010574","13.73","0.002","13.853","0.003","10.593","0.002","90","","101.97","0.02","90","","1971","0.7","150","2","150","2","","","","","","","","9","P 1 21/c 1","-P 2ybc","14","","","","- C18 H18 B Cl F4 N2 Ni O S2 -","- C18 H18 B Cl F4 N2 Ni O S2 -","- C72 H72 B4 Cl4 F16 N8 Ni4 O4 S8 -","4","1","","Arca, Massimiliano; Blake, Alexander J.; Casabò, Jaume; Demartin, Francesco; Devillanova, Francesco A.; Garau, Alessandra; Isaia, Francesco; Lippolis, Vito; Kivekas, Raikko; Muns, Vicent; Schröder, Martin; Verani, Gaetano","Conformationally locked pentadentate macrocycles containing the 1,10-phenanthroline unit. Synthesis and crystal structure of 5-oxa-2,8-dithia[9](2,9)-1,10-phenanthrolinophane (L) and its coordination properties to NiII, PdII, PtII, RhIII and RuII †","Journal of the Chemical Society, Dalton Transactions","2001","","8","1180","","10.1039/b100493j","","","0.71073","MoKα","","0.0678","0.0498","","","0.1042","0.118","","","","","","1.07","","","","has coordinates","213973","2020-10-21","18:00:00","" "7010575","13.177","0.004","11.52","0.004","15.006","0.003","90","","95.85","0.03","90","","2266","1.1","210","2","210","2","","","","","","","","8","C 1 2/m 1","-C 2y","12","","","","- C19 H19.5 B2 F8 N2.5 O Pd S2 -","- C19.01 H18 B2 F8 N2.51 O Pd S2 -","- C76.04 H72 B8 F32 N10.04 O4 Pd4 S8 -","4","0.5","","Arca, Massimiliano; Blake, Alexander J.; Casabò, Jaume; Demartin, Francesco; Devillanova, Francesco A.; Garau, Alessandra; Isaia, Francesco; Lippolis, Vito; Kivekas, Raikko; Muns, Vicent; Schröder, Martin; Verani, Gaetano","Conformationally locked pentadentate macrocycles containing the 1,10-phenanthroline unit. Synthesis and crystal structure of 5-oxa-2,8-dithia[9](2,9)-1,10-phenanthrolinophane (L) and its coordination properties to NiII, PdII, PtII, RhIII and RuII †","Journal of the Chemical Society, Dalton Transactions","2001","","8","1180","","10.1039/b100493j","","","0.71073","MoKα","","0.0821","0.071","","","0.1754","0.1893","","","","","","1.07","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00","" "7010576","9.22","0.002","11.025","0.002","11.695","0.002","96.68","0.02","98.27","0.02","112.04","0.02","1071.5","0.4","293","2","293","2","","","","","","","","8","P -1","-P 1","2","","","","- C18 H18 B2 F8 N2 O Pd S2 -","- C18 H18 B2 F8.8 N2 O Pd S2 -","- C36 H36 B4 F17.6 N4 O2 Pd2 S4 -","2","1","","Arca, Massimiliano; Blake, Alexander J.; Casabò, Jaume; Demartin, Francesco; Devillanova, Francesco A.; Garau, Alessandra; Isaia, Francesco; Lippolis, Vito; Kivekas, Raikko; Muns, Vicent; Schröder, Martin; Verani, Gaetano","Conformationally locked pentadentate macrocycles containing the 1,10-phenanthroline unit. Synthesis and crystal structure of 5-oxa-2,8-dithia[9](2,9)-1,10-phenanthrolinophane (L) and its coordination properties to NiII, PdII, PtII, RhIII and RuII †","Journal of the Chemical Society, Dalton Transactions","2001","","8","1180","","10.1039/b100493j","","","0.71073","MoKα","","0.053","0.0457","","","0.1165","0.1219","","","","","","1.033","","","","has coordinates","213973","2020-10-21","18:00:00","" "7010577","11.78","0.001","14.619","0.001","7.6281","0.0008","104.26","0.009","95.42","0.01","67.081","0.007","1172.66","0.19","294","2","294","2","","","","","","","","7","P -1","-P 1","2","","","","- C18 H26 Cl2 N2 O4 Ru S3 -","- C18 H18 Cl2 N2 O4 Ru S3 -","- C36 H36 Cl4 N4 O8 Ru2 S6 -","2","1","","Arca, Massimiliano; Blake, Alexander J.; Casabò, Jaume; Demartin, Francesco; Devillanova, Francesco A.; Garau, Alessandra; Isaia, Francesco; Lippolis, Vito; Kivekas, Raikko; Muns, Vicent; Schröder, Martin; Verani, Gaetano","Conformationally locked pentadentate macrocycles containing the 1,10-phenanthroline unit. Synthesis and crystal structure of 5-oxa-2,8-dithia[9](2,9)-1,10-phenanthrolinophane (L) and its coordination properties to NiII, PdII, PtII, RhIII and RuII †","Journal of the Chemical Society, Dalton Transactions","2001","","8","1180","","10.1039/b100493j","","","0.71069","MoKα","","0.0596","0.0435","","","0.1268","0.1352","","","","","","1.156","","","","has coordinates","179809","2020-10-21","18:00:00","" "7010578","25.13","0.02","12.55","0.02","25.98","0.02","90","","99.15","0.05","90","","8089","16","150","2","150","2","","","","","","","","8","I 1 2/a 1","-I 2ya","15","","","","- C36.5 H33.75 F12 N2.25 O P3 Ru S2 -","- C36.5 H33 F12 N2.25 O P3 Ru S2 -","- C292 H264 F96 N18 O8 P24 Ru8 S16 -","8","1","","Arca, Massimiliano; Blake, Alexander J.; Casabò, Jaume; Demartin, Francesco; Devillanova, Francesco A.; Garau, Alessandra; Isaia, Francesco; Lippolis, Vito; Kivekas, Raikko; Muns, Vicent; Schröder, Martin; Verani, Gaetano","Conformationally locked pentadentate macrocycles containing the 1,10-phenanthroline unit. Synthesis and crystal structure of 5-oxa-2,8-dithia[9](2,9)-1,10-phenanthrolinophane (L) and its coordination properties to NiII, PdII, PtII, RhIII and RuII †","Journal of the Chemical Society, Dalton Transactions","2001","","8","1180","","10.1039/b100493j","","","0.71073","MoKα","","0.0872","0.0585","","","0.1355","0.1561","","","","","","1.03","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00","" "7010579","17.3028","0.0015","20.5989","0.0019","20.1296","0.0019","90","","111.796","0.002","90","","6661.7","1.1","293","2","293","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C60 H61 Cl2 Fe N10 Ni O20 P2 -","- C60 H56 Cl2 Fe N10 Ni O20 P2 -","- C240 H224 Cl8 Fe4 N40 Ni4 O80 P8 -","4","1","","Yin, Li-hua; Cheng, Peng; Yan, Shi-Ping; Fu, Xue-Qi; Li, Jing; Liao, Dai-Zheng; Jiang, Zong-Hui","The first iron(III)‒nickel(II) heterodinuclear complex containing both terminal and bridged phosphato ligands relevant to structural core models for dimetalloenzymes","Journal of the Chemical Society, Dalton Transactions","2001","","9","1398","","10.1039/b100498k","","","0.71073","MoKα","","0.1739","0.0767","","","0.1725","0.2145","","","","","","0.97","","","","has coordinates","179809","2020-10-21","18:00:00","" "7010580","20.051","0.004","21.3","0.004","15.898","0.003","110.7","0.03","90.96","0.03","96.63","0.03","6297","3","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C120 H184 Ag8 Se8 -","- C120 H184 Ag8 Se8 -","- C240 H368 Ag16 Se16 -","2","1","","Tang, Kaluo; Jin, Xianglin; Yan, He; Xie, Xiangjin; Liu, Chunling; Gong, Qihuang","Synthesis, crystal structure and optical limiting property of a novel octanuclear silver cluster complex with an aryl selenolate ligand","Journal of the Chemical Society, Dalton Transactions","2001","","8","1374","","10.1039/b100565k","","","0.71073","MoKα","","0.0998","0.0608","","","0.147","0.1647","","","","","","0.998","","","","has coordinates","179809","2020-10-21","18:00:00","" "7010581","11.404","0.001","11.501","0.001","22.696","0.001","90","","90","","90","","2976.7","0.4","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C21 H48 B9 N3 W -","- C21 H47 B9 N3 W -","- C84 H188 B36 N12 W4 -","4","1","","Batsanov, Andrei S.; Goeta, Andrés E.; Howard, Judith A. K.; Hughes, Andrew K.; Johnson, Andrew L.; Wade, Ken","Tungsten(VI) metallacarborane imido complexes; hydrogen bonding to a bent imido ligand in {W(NtBu)2[N(H)C(Me)NHtBu](C2B9H11)} †","Journal of the Chemical Society, Dalton Transactions","2001","","8","1210","","10.1039/b100572n","","","0.71073","MoKα","","0.0273","0.0237","","0.0603","0.0543","","","","1.14","1.091","1.091","","","","","has coordinates","179809","2020-10-21","18:00:00","" "7010582","11.053","0.002","11.859","0.002","20.074","0.004","90","","90.016","0.004","90","","2631.3","0.8","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C18 H39 B9 N2 O W -","- C18 H39 B9 N2 O W -","- C72 H156 B36 N8 O4 W4 -","4","1","","Batsanov, Andrei S.; Goeta, Andrés E.; Howard, Judith A. K.; Hughes, Andrew K.; Johnson, Andrew L.; Wade, Ken","Tungsten(VI) metallacarborane imido complexes; hydrogen bonding to a bent imido ligand in {W(NtBu)2[N(H)C(Me)NHtBu](C2B9H11)} †","Journal of the Chemical Society, Dalton Transactions","2001","","8","1210","","10.1039/b100572n","","","0.71073","MoKα","","0.0252","0.0184","","0.0397","0.0365","","","","1.145","1.135","1.135","","","","","has coordinates","179809","2020-10-21","18:00:00","" "7010583","17.825","0.003","10.92","0.002","13.523","0.003","90","","95.333","0.004","90","","2620.8","0.9","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H43 B9 N4 W -","- C16 H43 B9 N4 W -","- C64 H172 B36 N16 W4 -","4","1","","Batsanov, Andrei S.; Goeta, Andrés E.; Howard, Judith A. K.; Hughes, Andrew K.; Johnson, Andrew L.; Wade, Ken","Tungsten(VI) metallacarborane imido complexes; hydrogen bonding to a bent imido ligand in {W(NtBu)2[N(H)C(Me)NHtBu](C2B9H11)} †","Journal of the Chemical Society, Dalton Transactions","2001","","8","1210","","10.1039/b100572n","","","0.71073","MoKα","","0.0616","0.0311","","","0.0505","0.056","","","","","","0.98","","","","has coordinates","213973","2020-10-21","18:00:00","" "7010587","11.06","0.005","11.916","0.005","11.985","0.006","119.69","0.02","114.15","0.04","90.46","0.04","1207","1.2","293","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C21 H26 B Cl Mo N7 O2 -","- C21 H26 B Cl Mo N7 O2 -","- C42 H52 B2 Cl2 Mo2 N14 O4 -","2","1","","Bayly, Simon R.; Humphrey, Elizabeth R.; de Chair, Helena; Paredes, Cecilia G.; Bell, Zoe R.; Jeffery, John C.; McCleverty, Jon A.; Ward, Michael D.; Totti, Federico; Gatteschi, Dante; Courric, Stephane; Steele, Barry R.; Screttas, Constantinos G.","Electronic and magnetic metal‒metal interactions in dinuclear oxomolybdenum(V) complexes across bis-phenolate bridging ligands with different spacers between the phenolate termini: ligand-centred vs. metal-centred redox activity","Journal of the Chemical Society, Dalton Transactions","2001","","9","1401","","10.1039/b100681i","","","0.71073","MoKα","","0.1588","0.0593","","","0.1279","0.1603","","","","","","0.917","","","","has coordinates,has disorder","213973","2020-10-21","18:00:00","" "7010588","33.059","0.004","19.737","0.004","18.568","0.002","90","0.006","98.07","0.009","90","0.009","11995","3","173","2","293","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C48 H63.6 B2 Cl4 Mo2 N12 O5 -","- C48 H54 B2 Cl4 Mo2 N12 O5 -","- C384 H432 B16 Cl32 Mo16 N96 O40 -","8","1","","Bayly, Simon R.; Humphrey, Elizabeth R.; de Chair, Helena; Paredes, Cecilia G.; Bell, Zoe R.; Jeffery, John C.; McCleverty, Jon A.; Ward, Michael D.; Totti, Federico; Gatteschi, Dante; Courric, Stephane; Steele, Barry R.; Screttas, Constantinos G.","Electronic and magnetic metal‒metal interactions in dinuclear oxomolybdenum(V) complexes across bis-phenolate bridging ligands with different spacers between the phenolate termini: ligand-centred vs. metal-centred redox activity","Journal of the Chemical Society, Dalton Transactions","2001","","9","1401","","10.1039/b100681i","","","0.71073","MoKα","","0.1357","0.0821","","","0.2393","0.2765","","","","","","1.025","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00","" "7010589","13.344","0.005","18.923","0.006","19.166","0.004","91.1","0.02","93.75","0.03","96.05","0.03","4801","3","173","2","173","2","","","","","","","","8","P -1","-P 1","2","","","","- C52 H44 Cl2 Mn N O P4 Sn -","- C52 H44 Cl2 Mn N O P4 Sn -","- C208 H176 Cl8 Mn4 N4 O4 P16 Sn4 -","4","2","","Anderson, Kirsty M.; Connelly, Neil G.; Goodwin, Nicholas J.; Lewis, Gareth R.; Moreno, Maria Teresa; Orpen, A. Guy; Wood, Andrew J.","Cyanide-bridged complexes with Sn(II)Mn(I), Sn(II)Mn(II), Sn(IV)Mn(I) and Sn(IV)Mn(II) oxidation states †","Journal of the Chemical Society, Dalton Transactions","2001","","9","1421","","10.1039/b100721l","","","0.71073","MoKα","","0.0515","0.0322","","","0.0691","0.0736","","","","","","0.896","","","","has coordinates","179809","2020-10-21","18:00:00","" "7010590","22.507","0.003","11.769","0.003","19.066","0.004","90","","90","","90","","5050.3","1.8","173","2","173","2","","","","","","","","9","P n a 21","P 2c -2n","33","","","","- C52 H44 Cl2 F6 Mn N O P5 Sn -","- C52 H44 Cl2 F6 Mn N O P5 Sn -","- C208 H176 Cl8 F24 Mn4 N4 O4 P20 Sn4 -","4","1","","Anderson, Kirsty M.; Connelly, Neil G.; Goodwin, Nicholas J.; Lewis, Gareth R.; Moreno, Maria Teresa; Orpen, A. Guy; Wood, Andrew J.","Cyanide-bridged complexes with Sn(II)Mn(I), Sn(II)Mn(II), Sn(IV)Mn(I) and Sn(IV)Mn(II) oxidation states †","Journal of the Chemical Society, Dalton Transactions","2001","","9","1421","","10.1039/b100721l","","","0.71073","MoKα","","0.105","0.0711","","","0.1875","0.2058","","","","","","1.045","","","","has coordinates,has disorder","179809","2020-10-21","18:00:00","" "7010591","11.5812","0.0013","46.353","0.006","17.523","0.002","90","","94.354","0.013","90","","9379.6","1.9","173","2","173","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C93 H76 Cl6 Mn2 N2 O10 P6 Sn -","- C93 H76 Cl6 Mn2 N2 O10 P6 Sn -","- C372 H304 Cl24 Mn8 N8 O40 P24 Sn4 -","4","1","","Anderson, Kirsty M.; Connelly, Neil G.; Goodwin, Nicholas J.; Lewis, Gareth R.; Moreno, Maria Teresa; Orpen, A. Guy; Wood, Andrew J.","Cyanide-bridged complexes with Sn(II)Mn(I), Sn(II)Mn(II), Sn(IV)Mn(I) and Sn(IV)Mn(II) oxidation states †","Journal of the Chemical Society, Dalton Transactions","2001","","9","1421","","10.1039/b100721l","","","0.71073","MoKα","","0.1115","0.0574","","","0.0904","0.1054","","","","","","1.052","","","","has coordinates,has disorder","179809","2020-10-21","18:00:00","" "7010592","6.7335","0.0009","11.9248","0.0015","12.4536","0.0016","101.657","0.002","104.52","0.002","97.283","0.002","931.3","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","tetrakis(4-nitrobenzoato)diaquacopper(II) acetone solvate","","- C31 H26 Cu2 N4 O19 -","- C31 H26 Cu2 N4 O19 -","- C31 H26 Cu2 N4 O19 -","1","0.5","","Kristiansson, Olof; Tergenius, Lars-Erik","Structure and host‒guest properties of the nanoporous diaquatetrakis( p-nitrobenzoato)dicopper(II) framework","Journal of the Chemical Society, Dalton Transactions","2001","","9","1415","","10.1039/b100734n","","","0.71073","MoKα","","0.1065","0.0574","","","0.1165","0.1315","","","","","","0.917","","","","has coordinates","179809","2020-10-21","18:00:00","" "7010593","6.6724","0.0008","11.1582","0.0014","12.5549","0.0016","93.982","0.002","103.863","0.002","94.956","0.002","900.18","0.19","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","tetrakis(4-nitrobenzoato)diethanolcopper(II)","","- C32 H26 Cu2 N4 O18 -","- C32 H26 Cu2 N4 O18 -","- C32 H26 Cu2 N4 O18 -","1","0.5","","Kristiansson, Olof; Tergenius, Lars-Erik","Structure and host‒guest properties of the nanoporous diaquatetrakis( p-nitrobenzoato)dicopper(II) framework","Journal of the Chemical Society, Dalton Transactions","2001","","9","1415","","10.1039/b100734n","","","0.71073","MoKα","","0.1281","0.0656","","","0.1357","0.1543","","","","","","0.923","","","","has coordinates","179809","2020-10-21","18:00:00","" "7010594","13.865","0.002","15.721","0.003","22.912","0.004","90","","90","","90","","4994.2","1.5","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C25 H36 Al N O -","- C25 H36 Al N O -","- C200 H288 Al8 N8 O8 -","8","1","","Cameron, Paul A.; Gibson, Vernon C.; Redshaw, Carl; Segal, John A.; Solan, Gregory A.; White, Andrew J. P.; Williams, David J.","Synthesis and characterisation of neutral dialkylaluminium complexes stabilised by salicylaldiminato ligands, and their conversion to monoalkylaluminium cations †","Journal of the Chemical Society, Dalton Transactions","2001","","9","1472","","10.1039/b100743m","","","0.71073","MoKα","","0.1538","0.0661","","0.1964","0.1406","","","","1.012","1.088","1.088","","","","","has coordinates","176453","2020-10-21","18:00:00","" "7010595","9.316","0.002","10.2771","0.0004","29.617","0.0011","90","","90","","90","","2835.6","0.6","203","2","203","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C29 H44 Al N O -","- C29 H44 Al N O -","- C116 H176 Al4 N4 O4 -","4","1","","Cameron, Paul A.; Gibson, Vernon C.; Redshaw, Carl; Segal, John A.; Solan, Gregory A.; White, Andrew J. P.; Williams, David J.","Synthesis and characterisation of neutral dialkylaluminium complexes stabilised by salicylaldiminato ligands, and their conversion to monoalkylaluminium cations †","Journal of the Chemical Society, Dalton Transactions","2001","","9","1472","","10.1039/b100743m","","","1.54178","CuKα","","0.0649","0.0523","","0.1392","0.1288","","","","1.058","1.065","1.065","","","","","has coordinates","176453","2020-10-21","18:00:00","" "7010596","10.919","0.006","25.859","0.009","14.502","0.009","90","","108.13","0.05","90","","3891","4","298.2","","","","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C79 H80 F12 N4 O P4 Pd2 -","- C79 H80 F12 N4 O P4 Pd2 -","- C158 H160 F24 N8 O2 P8 Pd4 -","2","1","","Yamamoto, Yasuhiro; Fukui, Yasushi; Matsubara, Katsuaki; Takeshima, Hiroya; Miyauchi, Fumiyoshi; Tanase, Tomoaki; Yamamoto, Gaku","Preparation and characterization of palladium and platinum complexes bearing 1,8-bis[(diphenylphosphino)methyl]naphthalene","Journal of the Chemical Society, Dalton Transactions","2001","","11","1773","","10.1039/b100860i","","","0.7107","MoKα","","","0.1012","","","","0.2307","","","","","","1.335","","","","has coordinates","176453","2020-10-21","18:00:00","" "7010597","11.06","0.05","25.823","0.01","14.292","0.01","90","0.05","108.1","0.1","90","0.1","3880","18","300.2","","","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C76 H74 F12 N4 P4 Pt2 -","- C76 H74 F12 N4 P4 Pt2 -","- C152 H148 F24 N8 P8 Pt4 -","2","1","","Yamamoto, Yasuhiro; Fukui, Yasushi; Matsubara, Katsuaki; Takeshima, Hiroya; Miyauchi, Fumiyoshi; Tanase, Tomoaki; Yamamoto, Gaku","Preparation and characterization of palladium and platinum complexes bearing 1,8-bis[(diphenylphosphino)methyl]naphthalene","Journal of the Chemical Society, Dalton Transactions","2001","","11","1773","","10.1039/b100860i","","","0.7107","MoKα","","","0.0778","","","","0.1671","","","","","","1.402","","","","has coordinates","176453","2020-10-21","18:00:00","" "7010598","10.164","","12.526","","26.427","","90","","90","","90","","3364.53","","203","2","203","2","","","","","","","","6","C m c a","-C 2ac 2","64","","","","- C12 H29 I N3 P Se -","- C12 H29 I N3 P Se -","- C96 H232 I8 N24 P8 Se8 -","8","","","Godfrey, Stephen M.; Ollerenshaw, Ruth T. A.; Pritchard, Robin G.; Richards, Claire L.","Structural isomerism in R3PSe(Ph)I compounds: the ionic structure of [(Me2N)3PSePh]I","Journal of the Chemical Society, Dalton Transactions","2001","","5","508","","10.1039/b100882j","","","0.71073","MoKα","","0.0628","0.0478","","","0.1217","0.1321","","","","","","1.092","","","","has coordinates","179809","2020-10-21","18:00:00","" "7010599","12.54","0.002","12.624","0.002","41.336","0.008","90","","90.69","0.03","90","","6543.2","1.9","293","2","293","2","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","Di-μ-methoxo-μ-acetate-bis[(2-hydroxybenzyl)(2-(imidazol-2-yl)ethyl) amine]diiron(III) perchlorate","","- C28 H37 Cl Fe2 N6 O10 -","- C28 H37 Cl Fe2 N6 O10 -","- C224 H296 Cl8 Fe16 N48 O80 -","8","1","","Scarpellini, Marciela; Neves, Ademir; Bortoluzzi, Adailton João; Vencato, Ivo; Drago, Valderes; Ortiz, Wilson Aires; Zucco, César","A new FeIII(µ-OCH3)2(µ-OAc)FeIII complex containing phenolate and imidazole ligands as a structural model for the active site of non-heme diiron enzymes†","Journal of the Chemical Society, Dalton Transactions","2001","","18","2616","","10.1039/b100913n","","","0.71073","MoKα","","0.1386","0.0494","","","0.1219","0.1392","","","","","","0.93","","","","has coordinates","179809","2020-10-21","18:00:00","" "7010600","9.956","0.002","10.419","0.002","11.095","0.002","90","","90","","90","","1150.9","0.4","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","HBHA","[(2-hydroxybenzyl)(2-(imidazol-2-yl)ethyl)amine]","","- C12 H15 N3 O -","- C12 H15 N3 O -","- C48 H60 N12 O4 -","4","1","","Scarpellini, Marciela; Neves, Ademir; Bortoluzzi, Adailton João; Vencato, Ivo; Drago, Valderes; Ortiz, Wilson Aires; Zucco, César","A new FeIII(µ-OCH3)2(µ-OAc)FeIII complex containing phenolate and imidazole ligands as a structural model for the active site of non-heme diiron enzymes†","Journal of the Chemical Society, Dalton Transactions","2001","","18","2616","","10.1039/b100913n","","","0.71073","MoKα","","0.0852","0.0376","","","0.0853","0.0996","","","","","","1.01","","","","has coordinates","202017","2020-10-21","18:00:00","" "7010601","31.0247","0.0004","9.4124","0.0002","22.5961","0.0003","90","","105.957","0.0009","90","","6344.19","0.18","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C36 H15 B F15 O P -","- C36 H15 B F15 O P -","- C288 H120 B8 F120 O8 P8 -","8","1","","Beckett, Michael A.; Brassington, David S.; Light, Mark E.; Hursthouse, Michael B.","Organophosphoryl adducts of tris(pentafluorophenyl)borane; crystal and molecular structure of B(C6F5)3·Ph3PO","Journal of the Chemical Society, Dalton Transactions","2001","","11","1768","","10.1039/b100981h","","","0.71073","MoKα","","0.062","0.0395","","","0.0934","0.1031","","","","","","1.036","","","","has coordinates","179810","2020-10-21","18:00:00","" "7010602","15.79","0.006","13.841","0.005","16.717","0.012","90","","90","","90","","3653","3","293","2","","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C15 H23 Mo2 N O S3 -","- C15 H23 Mo2 N O S3 -","- C120 H184 Mo16 N8 O8 S24 -","8","1","","Schollhammer, Philippe; Le Hénanf, Marc; Le Roy-Le Floch, Christine; Pétillon, François Y.; Talarmin, Jean; Muir, Kenneth W.","Acetonitrile hydration versus molybdenum oxidation at the sulfur-rich bimetallic site {MoIII2Cp2(μ-SMe)3}+. Crystal structure of the μ-η1 ∶ η1-amidato complex [Mo2Cp2(μ-MeCONH)(μ-SMe)3]","Journal of the Chemical Society, Dalton Transactions","2001","","10","1573","","10.1039/b100986i","","x-ray","0.71073","MoKα","","","0.0621","","","","0.1584","","","","","","0.852","","","","has coordinates","213973","2020-10-21","18:00:00","" "7010603","5.9778","0.0003","16.6747","0.0008","8.466","0.0004","90","","90.384","0.001","90","","843.86","0.07","273.2","","273.2","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C4 H11 Mn N O7 P -","- C4 H11 Mn N O7 P -","- C16 H44 Mn4 N4 O28 P4 -","4","1","","Lethbridge, Zoe A. D.; Tiwary, Satish K.; Harrison, Andrew; Lightfoot, Philip","Synthesis, structural relationships and magnetic properties of new amine-templated manganese(II) phosphate oxalate framework materials","Journal of the Chemical Society, Dalton Transactions","2001","","12","1904","","10.1039/b101005k","","","0.7107","MoKalpha","","","0.0299","","","0.0333","","","","","1.408","1.408","","","","","has coordinates","176453","2020-10-21","18:00:00","" "7010604","5.4573","0.0004","8.965","0.0007","15.253","0.001","90","","98.924","0.001","90","","737.22","0.09","273.2","","273.2","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C4 H16 Mn2 N2 O14 P2 -","- C4 H16 Mn2 N2 O14 P2 -","- C8 H32 Mn4 N4 O28 P4 -","2","0.5","","Lethbridge, Zoe A. D.; Tiwary, Satish K.; Harrison, Andrew; Lightfoot, Philip","Synthesis, structural relationships and magnetic properties of new amine-templated manganese(II) phosphate oxalate framework materials","Journal of the Chemical Society, Dalton Transactions","2001","","12","1904","","10.1039/b101005k","","","0.7107","MoKalpha","","","0.0239","","","0.027","","","","","1.334","1.334","","","","","has coordinates","176453","2020-10-21","18:00:00","" "7010605","7.83","0.004","8.041","0.004","9.652","0.007","76.29","0.05","78.47","0.06","86.36","0.06","578.4","0.6","273.2","","273.2","","","","","","","","","6","P -1","-P 1","2","","","","- C4 H7 Mn2 N O12 P -","- C4 H8 Mn2 N O12 P -","- C8 H16 Mn4 N2 O24 P2 -","2","1","","Lethbridge, Zoe A. D.; Tiwary, Satish K.; Harrison, Andrew; Lightfoot, Philip","Synthesis, structural relationships and magnetic properties of new amine-templated manganese(II) phosphate oxalate framework materials","Journal of the Chemical Society, Dalton Transactions","2001","","12","1904","","10.1039/b101005k","","","0.7107","MoKalpha","","","0.0301","","","0.0383","","","","","1.788","1.788","","","","","has coordinates","176453","2020-10-21","18:00:00","" "7010606","11.812","0.005","12.06","0.006","11.379","0.005","112.51","0.03","96.17","0.04","109.18","0.03","1362.9","1.2","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C62 H70 F2 O2 P4 Ru -","- C62 H52 F2 O2 P4 Ru -","- C62 H52 F2 O2 P4 Ru -","1","0.5","","Jasim, Naseralla A.; Perutz, Robin N.; Foxon, Simon P.; Walton, Paul H.","Synthesis, characterisation and reactivity of ruthenium bis-bifluoride, ruthenium hydride bifluoride and ruthenium hydride fluoride complexes","Journal of the Chemical Society, Dalton Transactions","2001","","11","1676","","10.1039/b101007g","","","0.71069","MoKα","","0.071","0.0445","","","0.1162","0.1279","","","","","","1.04","","","","has coordinates,has disorder","179810","2020-10-21","18:00:00","" "7010607","16.435","0.014","8.819","0.003","17.826","0.018","90","","123.46","0.05","90","","2156","3","150","2","150","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C12 H38 F4 P4 Ru -","- C12 H36 F4 P4 Ru -","- C48 H144 F16 P16 Ru4 -","4","1","","Jasim, Naseralla A.; Perutz, Robin N.; Foxon, Simon P.; Walton, Paul H.","Synthesis, characterisation and reactivity of ruthenium bis-bifluoride, ruthenium hydride bifluoride and ruthenium hydride fluoride complexes","Journal of the Chemical Society, Dalton Transactions","2001","","11","1676","","10.1039/b101007g","","","0.71069","MoKα","","0.0396","0.0368","","","0.099","0.1024","","","","","","1.09","","","","has coordinates","213973","2020-10-21","18:00:00","" "7010608","6.4454","0.0004","6.8624","0.0004","19.0731","0.0011","90","","90","","90","","843.62","0.09","173","2","173","2","","","","","","","synthesis as described","5","P n 21 m","P -2 -2bc","31","[Re(CO)3(P3C2tBu2)]","","","- C13 H18 O3 P3 Re -","- C13 H18 O3 P3 Re -","- C26 H36 O6 P6 Re2 -","2","0.5","","Al-Ktaifani, Mahmoud; Green, Jennifer C.; Hitchcock, Peter B.; Nixon, John F.","Electronic structure of [M(η-P3C2But2)(CO)3] (M = Mn or Re): a study by photoelectron spectroscopy and density functional calculations","Journal of the Chemical Society, Dalton Transactions","2001","","11","1726","","10.1039/b101014j","","x-ray","0.71073","MoKα","","0.0368","0.036","","","0.0944","0.0952","","","","","","1.111","","","","has coordinates,has disorder","213973","2020-10-21","18:00:00","" "7010609","10.3925","0.0002","10.7648","0.0002","10.9534","0.0003","101.728","0.001","92.051","0.001","114.45","0.001","1082.28","0.04","143","2","143","2","","","","","","","","5","P -1","-P 1","2","","","","- C32 H72 Ga2 K2 N8 -","- C32 H72 Ga2 K2 N8 -","- C32 H72 Ga2 K2 N8 -","1","0.5","","Schmidt, Eva Susanne; Schier, Annette; Schmidbaur, Hubert","In further pursuit of the carbene analogy: preparation and crystal structure of (N,N,N ',N '-tetramethylethylenediamine)potassium [cis-ethene-1,2-di(tert-butylamido)]gallate(I)","Journal of the Chemical Society, Dalton Transactions","2001","","5","505","","10.1039/b101016f","","","0.71073","MoKα","","0.0333","0.0309","","","0.074","0.0753","","","","","","1.067","","","","has coordinates,has disorder","213973","2020-10-21","18:00:00","" "7010610","11.357","0.002","12.311","0.002","19.422","0.003","90","","90","","90","","2715.5","0.8","293","2","293","2","","","","","","","","5","P c a b","-P 2bc 2ac","61","","","","- C7 H15 Cd N5 Se2 -","- C7 H15 Cd N5 Se2 -","- C56 H120 Cd8 N40 Se16 -","8","1","","Maji, Tapas Kumar; Sain, Saugata; Mostafa, Golam; Das, Debasis; Lu, Tian-Huey; Chaudhuri, Nirmalendu Ray","Synthesis and crystal structure of selenocyanato bridged two dimensional supramolecular coordination compounds of cadmium(ii)Electronic supplementary information (ESI) available: Corey–Pauling–Koltun diagram of 2. See http://www.rsc.org/suppdata/dt/b1/b101064f/","Journal of the Chemical Society, Dalton Transactions","2001","","21","3149","","10.1039/b101064f","","","0.7093","","","0.0769","0.0392","","0.0933","0.0832","","","","1.011","1.113","1.113","","","","","has coordinates","179810","2020-10-21","18:00:00","" "7010611","8.297","0.001","7.9377","0.0009","17.184","0.002","90","","92.396","0.002","90","","1130.7","0.2","297","2","297","2","","","","","","","","5","P 1 c 1","P -2yc","7","","","","- C5.5 H9.5 Cd N3.5 Se2 -","- C5.5 H9.5 Cd N3.5 Se2 -","- C22 H38 Cd4 N14 Se8 -","4","2","","Maji, Tapas Kumar; Sain, Saugata; Mostafa, Golam; Das, Debasis; Lu, Tian-Huey; Chaudhuri, Nirmalendu Ray","Synthesis and crystal structure of selenocyanato bridged two dimensional supramolecular coordination compounds of cadmium(ii)Electronic supplementary information (ESI) available: Corey–Pauling–Koltun diagram of 2. See http://www.rsc.org/suppdata/dt/b1/b101064f/","Journal of the Chemical Society, Dalton Transactions","2001","","21","3149","","10.1039/b101064f","","","0.71073","MoKα","","0.0529","0.0432","","","0.1033","0.108","","","","","","0.972","","","","has coordinates","176453","2020-10-21","18:00:00","" "7010612","15.877","0.002","17.546","0.003","22.725","0.004","90","","90","","90","","6330.7","1.7","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C33.5 H30 Cl3 Fe N5 -","- C33.5 H30 Cl3 Fe N5 -","- C268 H240 Cl24 Fe8 N40 -","8","1","","Britovsek, George J. P.; Gibson, Vernon C.; Kimberley, Brian S.; Mastroianni, Sergio; Redshaw, Carl; Solan, Gregory A.; White, Andrew J. P.; Williams, David J.","Bis(imino)pyridyl iron and cobalt complexes: the effect of nitrogen substituents on ethylene oligomerisation and polymerisation","Journal of the Chemical Society, Dalton Transactions","2001","","10","1639","","10.1039/b101173l","","","1.54178","CuKα","","0.0937","0.0501","","0.1497","0.1127","","","","1.046","1.135","1.135","","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00","" "7010613","13.7288","0.0011","13.2768","0.0007","15.059","0.002","90","","101.81","0.014","90","","2686.8","0.5","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C25 H28 Cl2 Fe N6 -","- C25 H28 Cl2 Fe N6 -","- C100 H112 Cl8 Fe4 N24 -","4","1","","Britovsek, George J. P.; Gibson, Vernon C.; Kimberley, Brian S.; Mastroianni, Sergio; Redshaw, Carl; Solan, Gregory A.; White, Andrew J. P.; Williams, David J.","Bis(imino)pyridyl iron and cobalt complexes: the effect of nitrogen substituents on ethylene oligomerisation and polymerisation","Journal of the Chemical Society, Dalton Transactions","2001","","10","1639","","10.1039/b101173l","","","1.54178","CuKα","","0.0795","0.0529","","0.1479","0.1284","","","","1.037","1.073","1.073","","","","","has coordinates","176453","2020-10-21","18:00:00","" "7010614","8.9087","0.0006","17.1327","0.0012","11.0544","0.0006","90","","94.074","0.006","90","","1682.97","0.19","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C13 H21 Cl2 Fe N5 -","- C13 H21 Cl2 Fe N5 -","- C52 H84 Cl8 Fe4 N20 -","4","1","","Britovsek, George J. P.; Gibson, Vernon C.; Kimberley, Brian S.; Mastroianni, Sergio; Redshaw, Carl; Solan, Gregory A.; White, Andrew J. P.; Williams, David J.","Bis(imino)pyridyl iron and cobalt complexes: the effect of nitrogen substituents on ethylene oligomerisation and polymerisation","Journal of the Chemical Society, Dalton Transactions","2001","","10","1639","","10.1039/b101173l","","","1.54178","CuKα","","0.0725","0.0512","","0.1306","0.1181","","","","1.06","1.125","1.125","","","","","has coordinates","176453","2020-10-21","18:00:00","" "7010615","20.698","0.002","20.698","0.002","33.803","0.003","90","","90","","90","","14481","2","293","2","293","2","","","","","","","","5","I 41/a :2","-I 4ad","88","","","","- C34.5 H32 Cl5 Co N5 -","- C34.5 H32 Cl5 Co N5 -","- C552 H512 Cl80 Co16 N80 -","16","1","","Britovsek, George J. P.; Gibson, Vernon C.; Kimberley, Brian S.; Mastroianni, Sergio; Redshaw, Carl; Solan, Gregory A.; White, Andrew J. P.; Williams, David J.","Bis(imino)pyridyl iron and cobalt complexes: the effect of nitrogen substituents on ethylene oligomerisation and polymerisation","Journal of the Chemical Society, Dalton Transactions","2001","","10","1639","","10.1039/b101173l","","","0.71073","MoKα","","0.1141","0.0581","","0.1461","0.1177","","","","0.994","1.085","1.085","","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00","" "7010616","8.982","0.002","13.436","0.002","13.797","0.002","90","","102.87","0.01","90","","1623.2","0.5","296.2","","296.2","","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C29 H33 Cl F6 N P3 Pd -","- C29 H33 Cl F6 N P3 Pd -","- C58 H66 Cl2 F12 N2 P6 Pd2 -","2","1","","Chatterjee, Swarup; George, Mark D.; Salem, Geoffrey; Willis, Anthony C.","Optically active asymmetric di(tertiary phosphines). Crystal and molecular structure of [SP-4-3-(SP,S )]-{1-[(2-chlorophenyl)methylphosphino]-2-(dimethylphosphino)benzene-P,P ' }{1-[1-(dimethylamino)ethyl]naphthyl-C 2,N }palladium(II) hexafluorophosphate","Journal of the Chemical Society, Dalton Transactions","2001","","12","1890","","10.1039/b101182k","","","0.7107","MoKα","","0.0549","0.0311","","0.0282","","0.026","","","1.418","","","1.515","","","","has coordinates","176453","2020-10-21","18:00:00","" "7010617","11.0101","0.0007","10.4007","0.0007","15.1835","0.0009","90","","90","","90","","1738.7","0.19","200","3","200","3","","","","","","","crystal provided by C. Aubauer","3","P n a 21","P 2c -2n","33","(PI4)(GaI4)","tetraiodophosphonium-tetraiodogallate","","- Ga I8 P -","- Ga I8 P -","- Ga4 I32 P4 -","4","1","","Christoph Aubauer; Martin Kaupp; Thomas M. Klapötke; Heinrich Nöth; Holger Piotrowski; Wolfgang Schnick; Jürgen Senker; Max Suter","Characterisation of the tetrahalophosphonium cations PBrnI4 − n+ (0 ≤ n ≤ 4) by 31P MAS NMR, IR and Raman spectroscopy and the crystal structures of PI4+AlCl4−, PI4+AlBr4− and PI4+GaI4−","J. Chem. Soc., Dalton Trans.","2001","","12","1880","1889","10.1039/b101197i","","","0.71073","MoKα","","0.0516","0.0377","","","0.0758","0.0785","","","","","","0.941","","","","has coordinates","213973","2020-10-21","18:00:00","" "7010618","6.523","0.006","15.808","0.014","14.339","0.013","90","","92.092","0.014","90","","1478","2","193","2","193","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Tetraiodophosphonium tetrachloroaluminate","","- Al Cl4 I4 P -","- Al Cl4 I4 P -","- Al4 Cl16 I16 P4 -","4","1","","Christoph Aubauer; Martin Kaupp; Thomas M. Klapötke; Heinrich Nöth; Holger Piotrowski; Wolfgang Schnick; Jürgen Senker; Max Suter","Characterisation of the tetrahalophosphonium cations PBrnI4 − n+ (0 ≤ n ≤ 4) by 31P MAS NMR, IR and Raman spectroscopy and the crystal structures of PI4+AlCl4−, PI4+AlBr4− and PI4+GaI4−","J. Chem. Soc., Dalton Trans.","2001","","12","1880","1889","10.1039/b101197i","","","0.71073","MoKα","","0.0613","0.044","","","0.1023","0.1099","","","","","","1.053","","","","has coordinates,has disorder","211332","2020-10-21","18:00:00","" "7010619","6.6475","0.0008","16.471","0.002","14.5339","0.0019","90","","91.832","0.002","90","","1590.5","0.3","188","2","188","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","tetraiodophosphonium-tetrabromoaluminate","","- Al Br4 I4 P -","- Al Br4 I4 P -","- Al4 Br16 I16 P4 -","4","1","","Christoph Aubauer; Martin Kaupp; Thomas M. Klapötke; Heinrich Nöth; Holger Piotrowski; Wolfgang Schnick; Jürgen Senker; Max Suter","Characterisation of the tetrahalophosphonium cations PBrnI4 − n+ (0 ≤ n ≤ 4) by 31P MAS NMR, IR and Raman spectroscopy and the crystal structures of PI4+AlCl4−, PI4+AlBr4− and PI4+GaI4−","J. Chem. Soc., Dalton Trans.","2001","","12","1880","1889","10.1039/b101197i","","","0.71073","MoKα","","0.058","0.0447","","","0.108","0.1145","","","","","","1.032","","","","has coordinates,has disorder","211332","2020-10-21","18:00:00","" "7010620","19.472","0.003","7.613","0.002","21.797","0.004","90","","110.793","0.015","90","","3020.7","1.1","293","2","293","2","","","","","","","synthesis as described","6","P 1 21/n 1","-P 2yn","14","","","","- C28 H33 Cl2 Cu N5 O8 -","- C28 H33 Cl2 Cu N5 O8 -","- C112 H132 Cl8 Cu4 N20 O32 -","4","1","","Di Casa, Michela; Fabbrizzi, Luigi; Licchelli, Maurizio; Poggi, Antonio; Sacchi, Donata; Zema, Michele","A novel fluorescence redox switch based on the formal NiII/NiI couple †","Journal of the Chemical Society, Dalton Transactions","2001","","11","1671","","10.1039/b101310f","","","0.71073","MoKα","","0.1241","0.0624","","0.188","0.156","","","","1.033","1.114","1.114","","","","","has coordinates","179810","2020-10-21","18:00:00","" "7010621","6.922","0.005","18.364","0.01","11.729","0.01","90","","101.91","0.06","90","","1458.8","1.8","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C26 H30 F12 N4 Ni P2 -","- C26 H30 F12 N4 Ni P2 -","- C52 H60 F24 N8 Ni2 P4 -","2","1","","Di Casa, Michela; Fabbrizzi, Luigi; Licchelli, Maurizio; Poggi, Antonio; Sacchi, Donata; Zema, Michele","A novel fluorescence redox switch based on the formal NiII/NiI couple †","Journal of the Chemical Society, Dalton Transactions","2001","","11","1671","","10.1039/b101310f","","","0.71073","MoKα","","0.2961","0.102","","","0.2292","0.316","","","","","","0.844","","","","has coordinates","213973","2020-10-21","18:00:00","" "7010622","21.556","0.004","23.387","0.005","23.239","0.005","90","","92.58","0.03","90","","11704","4","143","2","143","2","","","","","","","","7","I 1 2/a 1","-I 2ya","15","","","","- C43 H58 Eu F9 N8 O18 S3 -","- C43 H48 Eu F9 N8 O18 S3 -","- C344 H384 Eu8 F72 N64 O144 S24 -","8","1","","Zucchi, Gaël; Scopelliti, Rosario; Bünzli, Jean-Claude G.","Importance of the chromophore orientation to the ligand-to-metal energy transfer in lanthanide complexes with pendant-arm fitted cyclen derivatives","Journal of the Chemical Society, Dalton Transactions","2001","","13","1975","","10.1039/b101312m","","","0.7107","MoKα","","0.0831","0.0656","","","0.1958","0.2097","","","","","","1.061","","","","has coordinates","179810","2020-10-21","18:00:00","" "7010623","13.239","0.003","35.095","0.007","29.656","0.006","90","","91.13","0.03","90","","13776","5","143","2","143","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C97 H134 F18 Lu2 N24 O54 S6 -","- C97 H92 F18 Lu2 N24 O54 S6 -","- C388 H368 F72 Lu8 N96 O216 S24 -","4","1","","Zucchi, Gaël; Scopelliti, Rosario; Bünzli, Jean-Claude G.","Importance of the chromophore orientation to the ligand-to-metal energy transfer in lanthanide complexes with pendant-arm fitted cyclen derivatives","Journal of the Chemical Society, Dalton Transactions","2001","","13","1975","","10.1039/b101312m","","","0.7107","MoKα","","0.1412","0.0929","","","0.2511","0.2781","","","","","","1.006","","","","has coordinates","179810","2020-10-21","18:00:00","" "7010624","12.897","0.002","12.942","0.005","19.237","0.003","87.85","0.03","84.358","0.01","86.51","0.03","3187.8","1.4","143","2","143","2","","","","","","","","7","P -1","-P 1","2","","","","- C46 H56 Eu F9 N12 O24 S3 -","- C46 H56 Eu F9 N12 O24 S3 -","- C92 H112 Eu2 F18 N24 O48 S6 -","2","1","","Zucchi, Gaël; Scopelliti, Rosario; Bünzli, Jean-Claude G.","Importance of the chromophore orientation to the ligand-to-metal energy transfer in lanthanide complexes with pendant-arm fitted cyclen derivatives","Journal of the Chemical Society, Dalton Transactions","2001","","13","1975","","10.1039/b101312m","","","0.7107","MoKα","","0.1116","0.1055","","","0.2858","0.2917","","","","","","1.132","","","","has coordinates","179810","2020-10-21","18:00:00","" "7010627","12.952","0.012","14.602","0.012","15.286","0.013","70.36","0.06","71.35","0.06","85.15","0.07","2579","4","273.2","","273.2","","","","","","","","","6","P -1","-P 1","2","","","","- C101 H109 Cl4 N15 Ni2 O15 -","- C101 H109 Cl4 N15 Ni2 O15 -","- C101 H109 Cl4 N15 Ni2 O15 -","1","0.5","","Paul K. Bowyer; David StC. Black; Donald C. Craig; A. David Rae; Anthony C. Willis","Indole-based mono- and poly-nuclear acyclic chelating systems: syntheses and selected transition metal complexes","J. Chem. Soc., Dalton Trans.","2001","","13","1948","1958","10.1039/b101350p","","","0.7107","MoKα","","0.152","0.074","","0.121","","0.101","","","1.296","","","1.53","","","","has coordinates","213973","2020-10-21","18:00:00","" "7010628","13.342","0.003","20.47","0.005","20.763","0.005","90","","128.417","0.008","90","","4443","1.9","294","","","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C47 H35 Cl5 N4 Ni O4 -","- C47 H35 Cl5 N4 Ni O4 -","- C188 H140 Cl20 N16 Ni4 O16 -","4","1","","Paul K. Bowyer; David StC. Black; Donald C. Craig; A. David Rae; Anthony C. Willis","Indole-based mono- and poly-nuclear acyclic chelating systems: syntheses and selected transition metal complexes","J. Chem. Soc., Dalton Trans.","2001","","13","1948","1958","10.1039/b101350p","","","0.71073","MoKα","","","0.066","","","","0.101","","","","","","1.79","","","","has coordinates","213973","2020-10-21","18:00:00","" "7010629","7.089","0.001","9.418","0.002","12.493","0.002","87.77","0.03","82.66","0.03","75.22","0.03","799.9","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C17 H11 N2 O4 Re -","- C17 H11 N2 O4 Re -","- C34 H22 N4 O8 Re2 -","2","1","","Czerwieniec, Rafał; Kapturkiewicz, Andrzej; Anulewicz-Ostrowska, Romana; Nowacki, Jacek","Monomeric and dimeric Re(i)(tricarbonyl)(8-quinolinato) complexes","Journal of the Chemical Society, Dalton Transactions","2001","","19","2756","2761","10.1039/b101357m","","","0.71073","MoKα","","0.0277","0.0248","","0.0622","0.0595","","","","1.152","1.152","1.152","","","","","has coordinates","180543","2020-10-21","18:00:00","" "7010630","9.785","0.002","14.327","0.003","16.454","0.003","90","","90","","90","","2306.7","0.8","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C24 H12 N2 O8 Re2 -","- C24 H12 N2 O8 Re2 -","- C96 H48 N8 O32 Re8 -","4","1","","Czerwieniec, Rafał; Kapturkiewicz, Andrzej; Anulewicz-Ostrowska, Romana; Nowacki, Jacek","Monomeric and dimeric Re(i)(tricarbonyl)(8-quinolinato) complexes","Journal of the Chemical Society, Dalton Transactions","2001","","19","2756","2761","10.1039/b101357m","","","0.71073","MoKα","","0.0546","0.0403","","0.0917","0.0826","","","","1.058","1.066","1.066","","","","","has coordinates","180543","2020-10-21","18:00:00","" "7010631","12","0.01","14.988","0.005","13.697","0.006","90","","113.61","0.03","90","","2257","2","296.2","","","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C17 H26 Ag F3 N2 O7 S -","- C17 H26 Ag F3 N2 O7 S -","- C68 H104 Ag4 F12 N8 O28 S4 -","4","1","","Habata, Yoichi; Yamashita, Yoshitomo; Akabori, Sadatoshi","A [3.3]paracyclophane-like silver complex with 4'-pyridylmethyl-armed monoaza 15-crown-5 ether","Journal of the Chemical Society, Dalton Transactions","2001","","7","966","","10.1039/b101391m","","","0.7107","MoKα","","","0.053","","","","0.1512","","","","","","1.376","","","","has coordinates","176453","2020-10-21","18:00:00","" "7010632","9.5","0.01","10.901","0.01","17.79","0.01","90","","90","","90","","1842","3","296.2","","","","","","","","","","","7","P n m a","-P 2ac 2n","62","","","","- C13 H22 Ag F3 N2 O5 S -","- C13 H22 Ag F3 N2 O5 S -","- C52 H88 Ag4 F12 N8 O20 S4 -","4","0.5","","Habata, Yoichi; Yamashita, Yoshitomo; Akabori, Sadatoshi","A [3.3]paracyclophane-like silver complex with 4'-pyridylmethyl-armed monoaza 15-crown-5 ether","Journal of the Chemical Society, Dalton Transactions","2001","","7","966","","10.1039/b101391m","","","0.7107","MoKα","","","0.0649","","","","0.1785","","","","","","1.123","","","","has coordinates","176453","2020-10-21","18:00:00","" "7010633","13.886","0.0019","13.8899","0.0019","17.18","0.002","99.535","0.002","102.458","0.002","117.597","0.002","2729.1","0.6","160","2","160","2","","","","","","","","6","P -1","-P 1","2","","","","- C28 H66 Mo3 O31 S4 Se4 -","- C28 H28 Mo3 O31 S4 Se4 -","- C56 H56 Mo6 O62 S8 Se8 -","2","1","","Hernandez-Molina, Rita; Elsegood, Mark R. J.; Clegg, William; Sykes, A. G.","Formation of Group 14 and 15 heteroatom derivatives of trinuclear [M3Se4(H2O)9]4+ (M = Mo, W) and the decreased reactivity of [W3S4(H2O)9]4+","Journal of the Chemical Society, Dalton Transactions","2001","","14","2173","","10.1039/b101399h","","","0.71073","MoKα","","0.1438","0.0707","","","0.1599","0.1776","","","","","","0.926","","","","has coordinates,has disorder","213973","2020-10-21","18:00:00","" "7010634","11.9215","0.0007","15.4869","0.0007","16.9541","0.0008","101.655","0.002","96.056","0.002","109.195","0.002","2844.8","0.3","160","2","160","2","","","","","","","","6","P -1","-P 1","2","","","","- C28 H69 O32.5 S4 Se4 W3 -","- C28 H28 O32.5 S4 Se4 W3 -","- C56 H56 O65 S8 Se8 W6 -","2","1","","Hernandez-Molina, Rita; Elsegood, Mark R. J.; Clegg, William; Sykes, A. G.","Formation of Group 14 and 15 heteroatom derivatives of trinuclear [M3Se4(H2O)9]4+ (M = Mo, W) and the decreased reactivity of [W3S4(H2O)9]4+","Journal of the Chemical Society, Dalton Transactions","2001","","14","2173","","10.1039/b101399h","","","0.71073","MoKα","","0.0741","0.0454","","","0.1041","0.1108","","","","","","0.963","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00","" "7010635","12.3516","0.0011","34.072","0.003","11.9253","0.0011","90","","92.645","0.004","90","","5013.3","0.8","160","2","160","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C56 H108 As Mo6 O50 S8 Se8 -","- C56 H108 As Mo6 O50 S8 Se8 -","- C112 H216 As2 Mo12 O100 S16 Se16 -","2","0.5","","Hernandez-Molina, Rita; Elsegood, Mark R. J.; Clegg, William; Sykes, A. G.","Formation of Group 14 and 15 heteroatom derivatives of trinuclear [M3Se4(H2O)9]4+ (M = Mo, W) and the decreased reactivity of [W3S4(H2O)9]4+","Journal of the Chemical Society, Dalton Transactions","2001","","14","2173","","10.1039/b101399h","","","0.71073","MoKα","","0.0631","0.036","","","0.0712","0.0764","","","","","","0.927","","","","has coordinates","211332","2020-10-21","18:00:00","" "7010636","13.076","0.0004","10.055","0.0005","12.722","0.0004","90","","86.809","0.002","90","","1670.08","0.11","110","2","110","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C13 H29 Mo P2 -","- C13 H29 Mo P2 -","- C52 H116 Mo4 P8 -","4","1","","Grognec, Erwan Le; Poli, Rinaldo; Richard, Philippe","A reinvestigation of compound CpMo(PMe3)2(CH3)2: alkylation by single electron transfer and radical addition?","Journal of the Chemical Society, Dalton Transactions","2001","","15","2251","","10.1039/b101441m","","","0.7107","MoKα","","0.0271","0.0239","","","0.0563","0.0583","","","","","","1.045","","","","has coordinates","211332","2020-10-21","18:00:00","" "7010637","7.34","0.0007","10.2514","0.0008","10.873","0.001","90","","96.5","0.01","90","","812.88","0.13","123","2","123","2","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","Dinatrium trihydrogentriphosphide-ammonia(1/8)","","- H27 N8 Na2 P3 -","- H27 N8 Na2 P3 -","- H54 N16 Na4 P6 -","2","0.5","","Korber, Nikolaus; Aschenbrenner, Jürgen","The first catena-trihydrogen triphosphide: synthesis and crystal structure of [Na(NH3)5][Na(NH3)3(P3H3)]","Journal of the Chemical Society, Dalton Transactions","2001","","8","1165","","10.1039/b101533h","","","0.71073","MoKα","","0.0455","0.0315","","","0.0745","0.0787","","","","","","1.008","","","","has coordinates","213973","2020-10-21","18:00:00","" "7010638","12.219","0.003","10.842","0.003","13.006","0.003","90","","94.14","0.01","90","","1718.5","0.7","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H23 Ag N4 O4 -","- C15 H23 Ag N4 O4 -","- C60 H92 Ag4 N16 O16 -","4","1","","Zheng, Shao-Liang; Tong, Ming-Liang; Zhu, Hai-Liang; Fang, Yue; Chen, Xiao-Ming","Syntheses and structures of three two-dimensional silver(I)‒hexamethylenetetramine co-ordination polymers with new topological motifs","Journal of the Chemical Society, Dalton Transactions","2001","","13","2049","","10.1039/b101539g","","","0.71073","MoKα","","0.04","0.0321","","","0.0815","0.0857","","","","","","1.056","","","","has coordinates","179810","2020-10-21","18:00:00","" "7010639","24.066","0.017","10.856","0.007","18.75","0.008","90","","120.81","0.01","90","","4207","4","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C20 H22 Ag2 N4 O6 -","- C20 H22 Ag2 N4 O6 -","- C160 H176 Ag16 N32 O48 -","8","1","","Zheng, Shao-Liang; Tong, Ming-Liang; Zhu, Hai-Liang; Fang, Yue; Chen, Xiao-Ming","Syntheses and structures of three two-dimensional silver(I)‒hexamethylenetetramine co-ordination polymers with new topological motifs","Journal of the Chemical Society, Dalton Transactions","2001","","13","2049","","10.1039/b101539g","","","0.71073","MoKα","","0.0846","0.0503","","","0.1174","0.1328","","","","","","1.028","","","","has coordinates","179810","2020-10-21","18:00:00","" "7010640","17.059","0.01","11.247","0.005","24.52","0.008","90","","90","","90","","4704","4","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C19 H28 Ag2 N8 O6 S -","- C19 H28 Ag2 N8 O6 S -","- C152 H224 Ag16 N64 O48 S8 -","8","1","","Zheng, Shao-Liang; Tong, Ming-Liang; Zhu, Hai-Liang; Fang, Yue; Chen, Xiao-Ming","Syntheses and structures of three two-dimensional silver(I)‒hexamethylenetetramine co-ordination polymers with new topological motifs","Journal of the Chemical Society, Dalton Transactions","2001","","13","2049","","10.1039/b101539g","","","0.71073","MoKα","","0.105","0.0543","","","0.1122","0.1303","","","","","","1.008","","","","has coordinates","179810","2020-10-21","18:00:00","" "7010641","9.0749","0.0004","16.4893","0.0009","12.8905","0.0006","90","","95.753","0.002","90","","1919.2","0.16","296.2","","","","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C15 H11 Cl2 F6 N4 O P Ru -","- C15 H11 Cl2 F6 N4 O P Ru -","- C60 H44 Cl8 F24 N16 O4 P4 Ru4 -","4","1","","Hirano, Toshiyuki; Ueda, Koji; Mukaida, Masao; Nagao, Hirotaka; Oi, Takao","Reactions of [RuCl2(NO)(terpy)]+ (terpy = 2,2' : 6',2″-terpyridine) with mono anions such as NO2‒, Br‒ and N3‒, and structural studies on terpyridineruthenium having a nitrosyl ligand","Journal of the Chemical Society, Dalton Transactions","2001","","16","2341","","10.1039/b101546j","","","0.7107","MoKα","","","0.0377","","","","0.0471","","","","","","1.276","","","","has coordinates","176453","2020-10-21","18:00:00","" "7010642","9.7439","0.0005","13.9922","0.0008","14.654","0.001","90","","106.286","0.002","90","","1917.7","0.2","296.2","","","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C15 H12 F6 N5 O4 P Ru -","- C15 H11 F6 N5 O4 P Ru -","- C60 H44 F24 N20 O16 P4 Ru4 -","4","1","","Hirano, Toshiyuki; Ueda, Koji; Mukaida, Masao; Nagao, Hirotaka; Oi, Takao","Reactions of [RuCl2(NO)(terpy)]+ (terpy = 2,2' : 6',2″-terpyridine) with mono anions such as NO2‒, Br‒ and N3‒, and structural studies on terpyridineruthenium having a nitrosyl ligand","Journal of the Chemical Society, Dalton Transactions","2001","","16","2341","","10.1039/b101546j","","","0.7107","MoKα","","","0.0598","","","","0.0957","","","","","","1.077","","","","has coordinates","176453","2020-10-21","18:00:00","" "7010643","10.254","0.002","8.545","0.002","24.593","0.002","90","","96.93","0.01","90","","2139.1","0.7","296.2","","","","","","","","","","","8","P 1 2/n 1","-P 2yac","13","","","","- C16 H15 Cl F6 N4 O2.5 P Ru -","- C16 H14 Cl F6 N4 O2.5 P Ru -","- C64 H56 Cl4 F24 N16 O10 P4 Ru4 -","4","1","","Hirano, Toshiyuki; Ueda, Koji; Mukaida, Masao; Nagao, Hirotaka; Oi, Takao","Reactions of [RuCl2(NO)(terpy)]+ (terpy = 2,2' : 6',2″-terpyridine) with mono anions such as NO2–, Br– and N3–, and structural studies on terpyridineruthenium having a nitrosyl ligand","Journal of the Chemical Society, Dalton Transactions","2001","","16","2341","","10.1039/b101546j","","","0.7107","MoKα","","","0.0447","","","","0.0603","","","","","","1.97","","","","has coordinates","288178","2023-12-08","09:51:07","" "7010644","9.187","0.001","16.638","0.001","13.1219","0.0009","90","","95.479","0.005","90","","1996.6","0.3","298.2","","","","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C15 H11 Br2 F6 N4 O P Ru -","- C15 H11 Br2 F6 N4 O P Ru -","- C60 H44 Br8 F24 N16 O4 P4 Ru4 -","4","1","","Hirano, Toshiyuki; Ueda, Koji; Mukaida, Masao; Nagao, Hirotaka; Oi, Takao","Reactions of [RuCl2(NO)(terpy)]+ (terpy = 2,2' : 6',2″-terpyridine) with mono anions such as NO2‒, Br‒ and N3‒, and structural studies on terpyridineruthenium having a nitrosyl ligand","Journal of the Chemical Society, Dalton Transactions","2001","","16","2341","","10.1039/b101546j","","","0.7107","MoKα","","","0.031","","","","0.0389","","","","","","0.999","","","","has coordinates","176453","2020-10-21","18:00:00","" "7010645","17.8519","0.0008","10.3946","0.0006","19.1659","0.0008","90","","100.148","0.008","90","","3500.9","0.3","294","","294","","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C37 H38 Au B Mo N O3 P -","- C37 H38 Au B Mo N O3 P -","- C148 H152 Au4 B4 Mo4 N4 O12 P4 -","4","1","","Braunstein, Pierre; Cura, Elisabeth; Herberich, Gerhard E.","Heterometallic complexes and clusters with 2-boratanaphthalene ligands †","Journal of the Chemical Society, Dalton Transactions","2001","","11","1754","","10.1039/b101556g","","","0.71073","Mo-Kα","","0.03","0.022","","6","","0.031","","","9.87","","","1.031","","","","has coordinates","213973","2020-10-21","18:00:00","" "7010646","8.8882","0.0004","20.8012","0.0008","11.9776","0.0006","90","","103.372","0.005","90","","2154.44","0.17","173","","173","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C40 H54 B2 Mo2 O6 P2 Pd2 -","- C40 H54 B2 Mo2 O6 P2 Pd2 -","- C80 H108 B4 Mo4 O12 P4 Pd4 -","2","0.5","","Braunstein, Pierre; Cura, Elisabeth; Herberich, Gerhard E.","Heterometallic complexes and clusters with 2-boratanaphthalene ligands †","Journal of the Chemical Society, Dalton Transactions","2001","","11","1754","","10.1039/b101556g","","","0.71073","Mo-Kα","","0.054","0.029","","0.677","","0.043","","","9.99","","","1.004","","","","has coordinates","213973","2020-10-21","18:00:00","" "7010647","12.0187","0.0002","18.5098","0.0006","20.4035","0.0006","90","","98.989","0.005","90","","4483.3","0.2","173","","173","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C45 H55 Ag B2 Mo2 N2 O6 -","- C45 H55 Ag B2 Mo2 N2 O6 -","- C180 H220 Ag4 B8 Mo8 N8 O24 -","4","1","","Braunstein, Pierre; Cura, Elisabeth; Herberich, Gerhard E.","Heterometallic complexes and clusters with 2-boratanaphthalene ligands †","Journal of the Chemical Society, Dalton Transactions","2001","","11","1754","","10.1039/b101556g","","","0.71073","Mo-Kα","","0.065","0.029","","0.798","","0.031","","","29.933","","","1.053","","","","has coordinates","213973","2020-10-21","18:00:00","" "7010648","9.2428","0.0006","9.7821","0.0006","12.3798","0.0005","78.225","0.005","87.103","0.005","67.449","0.005","1011.49","0.11","173","","173","","","","","","","","","7","P -1","-P 1","2","","","","- C38 H46 B2 Hg Mo2 N2 O6 -","- C38 H32 B2 Hg0.5 Mo2 N2 O6 -","- C38 H32 B2 Hg0.5 Mo2 N2 O6 -","1","0.5","","Braunstein, Pierre; Cura, Elisabeth; Herberich, Gerhard E.","Heterometallic complexes and clusters with 2-boratanaphthalene ligands †","Journal of the Chemical Society, Dalton Transactions","2001","","11","1754","","10.1039/b101556g","","","0.71073","Mo-Kα","","0.063","0.043","","0.633","","0.058","","","11.963","","","1.037","","","","has coordinates","213973","2020-10-21","18:00:00","" "7010649","6.959","0.003","11.7","0.005","14.974","0.007","108.223","0.008","98.723","0.008","93.164","0.008","1137.8","0.9","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C17 H38 N2 P2 Se2 -","- C17 H38 N2 P2 Se2 -","- C34 H76 N4 P4 Se4 -","2","1","","Rodriguez i Zubiri, Mireia; Clarke, Matthew L.; Foster, Douglas F.; Cole-Hamilton, David J.; Slawin, Alexandra M. Z.; Woollins, J. Derek","P‒N bond formation as a route to a highly electron rich bidentate phosphine ligand and its application in homogenous catalysis","Journal of the Chemical Society, Dalton Transactions","2001","","7","969","","10.1039/b101656n","","","0.71073","MoKα","","0.2312","0.113","","0.4165","0.2636","","","","0.841","0.987","0.987","","","","","has coordinates","211196","2020-10-21","18:00:00","" "7010650","7.005","0.002","19.61","0.006","14.601","0.004","90","","90.19","0.02","90","","2005.7","1","166","2","166","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","VO(acac-NMe2)2","Bis(N,N'-dimethylacetylacetamido)oxovanadium(IV)","","- C18 H26 N2 O5 V -","- C18 H26 N2 O5 V -","- C72 H104 N8 O20 V4 -","4","1","","Debbie C. Crans; A. Raza Khan; Mohammed Mahroof-Tahir; Sujit Mondal; Susie M. Miller; Agnete la Cour; Oren P. Anderson; Tamás Jakusch; Tamás Kiss","Bis(acetylamido)oxovanadium(IV) complexes: solid state and solution studies","J. Chem. Soc., Dalton Trans.","2001","","22","3337","3345","10.1039/b101718g","","","0.71073","MoKα","","0.0887","0.0613","","0.1823","0.1604","","","","1.04","1.093","1.093","","","","","has coordinates","179810","2020-10-21","18:00:00","" "7010651","14.1402","0.0002","9.6023","0.0001","16.4655","0.0002","89","","89","","90","","2234.98","0.05","273.2","","273.2","","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C14 H32 Cl2 N6 Ni O8 -","- C14 H32 Cl2 N6 Ni O8 -","- C56 H128 Cl8 N24 Ni4 O32 -","4","0.5","","Graham, Bim; Spiccia, Leone; Bond, Alan M.; Hearn, Milton T. W.; Kepert, Christopher M.","Structural, spectroscopic and electrochemical studies of nickel(II) “sandwich” complexes with ligands featuring tethered 1,4,7-triazacyclononane macrocycles †","Journal of the Chemical Society, Dalton Transactions","2001","","15","2232","","10.1039/b101766g","","","0.7107","MoKalpha","","","0.0368","","","0.0424","","","","","4.091","4.091","","","","","has coordinates","176453","2020-10-21","18:00:00","" "7010652","9.5317","0.0003","15.6344","0.0005","16.8035","0.0004","92.521","0.002","91.116","0.002","105.705","0.001","2407","0.12","273.2","","273.2","","","","","","","","","6","P -1","-P 1","2","","","","- C27 H71 Cl4 N9 Ni2 O26 -","- C27 H51 Cl4 N9 Ni2 O26 -","- C54 H102 Cl8 N18 Ni4 O52 -","2","1","","Graham, Bim; Spiccia, Leone; Bond, Alan M.; Hearn, Milton T. W.; Kepert, Christopher M.","Structural, spectroscopic and electrochemical studies of nickel(II) “sandwich” complexes with ligands featuring tethered 1,4,7-triazacyclononane macrocycles †","Journal of the Chemical Society, Dalton Transactions","2001","","15","2232","","10.1039/b101766g","","","0.7107","MoKalpha","","","0.0919","","","0.1038","","","","","3.895","3.895","","","","","has coordinates","176453","2020-10-21","18:00:00","" "7010653","12.2267","0.0002","21.7198","0.0003","14.1548","0.0002","90","","98.806","0.001","90","","3714.66","0.1","293","2","293","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C32.25 H30.25 Cl4.25 N O0.75 P2 Pt S0.75 -","- C32.25 H30.25 Cl4.25 N O0.75 P2 Pt S0.75 -","- C129 H121 Cl17 N4 O3 P8 Pt4 S3 -","4","1","","Aucott, Stephen M.; Slawin, Alexandra M. Z.; Woollins, J. Derek","Synthesis of chelate complexes and the dichalcogen derivatives of the unsymmetrical diphosphine ligand Ph2PNHC6H4PPh2. Molecular structure of [PtCl2(Ph2PNHC6H4PPh2)]·0.75dmso·0.75CHCl3","Journal of the Chemical Society, Dalton Transactions","2001","","15","2279","","10.1039/b101772l","","","0.71073","MoKα","","0.0396","0.033","","0.1088","0.0893","","","","1.04","1.081","1.081","","","","","has coordinates","179810","2020-10-21","18:00:00","" "7010654","11.603","0.003","23.586","0.004","13.649","0.002","90","","97.24","0.02","90","","3705.5","1.3","220","2","220","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C40 H42 Cu N8 O2 -","- C40 H42 Cu N8 O2 -","- C160 H168 Cu4 N32 O8 -","4","1","","Emeleus, Lucy C.; Cupertino, Domenico C.; Harris, Steven G.; Owens, Susan; Parsons, Simon; Swart, Ronald M.; Tasker, Peter A.; White, David J.","Diazopyrazolones as weak solvent extractants for copper from ammonia leach solutions †","Journal of the Chemical Society, Dalton Transactions","2001","","8","1239","","10.1039/b101780m","","","1.54184","CuKα","","0.0843","0.0613","","","0.1567","0.1732","","","","","","1.029","","","","has coordinates","211332","2020-10-21","18:00:00","" "7010655","8.307","0.004","11.311","0.006","16.415","0.008","75.87","0.04","75.79","0.04","71.58","0.04","1395.1","1.3","220","2","220","2","","","","","","","","5","P -1","-P 1","2","","","","- C32 H26 Cu N8 O2 -","- C32 H26 Cu N8 O2 -","- C64 H52 Cu2 N16 O4 -","2","1","","Emeleus, Lucy C.; Cupertino, Domenico C.; Harris, Steven G.; Owens, Susan; Parsons, Simon; Swart, Ronald M.; Tasker, Peter A.; White, David J.","Diazopyrazolones as weak solvent extractants for copper from ammonia leach solutions †","Journal of the Chemical Society, Dalton Transactions","2001","","8","1239","","10.1039/b101780m","","","1.54184","CuKα","","0.0781","0.0616","","0.2222","0.209","","","","1.132","1.211","1.211","","","","","has coordinates","211332","2020-10-21","18:00:00","" "7010656","12.28","0.005","13.615","0.005","14.172","0.005","113.737","0.016","95.127","0.016","113.635","0.014","1896.2","1.3","220","2","220","2","","","","","","","","5","P -1","-P 1","2","","","","- C40 H42 N8 O2 Zn -","- C40 H42 N8 O2 Zn -","- C80 H84 N16 O4 Zn2 -","2","1","","Emeleus, Lucy C.; Cupertino, Domenico C.; Harris, Steven G.; Owens, Susan; Parsons, Simon; Swart, Ronald M.; Tasker, Peter A.; White, David J.","Diazopyrazolones as weak solvent extractants for copper from ammonia leach solutions †","Journal of the Chemical Society, Dalton Transactions","2001","","8","1239","","10.1039/b101780m","","","1.54184","CuKα","","0.0433","0.0343","","","0.0952","0.1003","","","","","","0.994","","","","has coordinates","211332","2020-10-21","18:00:00","" "7010657","10.5849","0.0012","14.896","0.002","15.153","0.002","76.735","0.006","79.025","0.006","77.539","0.007","2245.6","0.5","220","2","220","2","","","","","","","","5","P -1","-P 1","2","","","","- C46 H60 N6 Ni O6 -","- C46 H60 N6 Ni O6 -","- C92 H120 N12 Ni2 O12 -","2","1","","Emeleus, Lucy C.; Cupertino, Domenico C.; Harris, Steven G.; Owens, Susan; Parsons, Simon; Swart, Ronald M.; Tasker, Peter A.; White, David J.","Diazopyrazolones as weak solvent extractants for copper from ammonia leach solutions †","Journal of the Chemical Society, Dalton Transactions","2001","","8","1239","","10.1039/b101780m","","","1.54184","CuKα","","0.0583","0.0469","","0.1335","0.1252","","","","1.026","1.065","1.065","","","","","has coordinates,has disorder","211332","2020-10-21","18:00:00","" "7010658","12.965","0.006","15.604","0.006","15.584","0.006","75.83","0.03","85.67","0.03","86.5","0.04","3045","2","220","2","220","2","","","","","","","","5","P -1","-P 1","2","","","","- C63 H75 Co N12 O6 -","- C63 H75 Co N12 O6 -","- C126 H150 Co2 N24 O12 -","2","1","","Emeleus, Lucy C.; Cupertino, Domenico C.; Harris, Steven G.; Owens, Susan; Parsons, Simon; Swart, Ronald M.; Tasker, Peter A.; White, David J.","Diazopyrazolones as weak solvent extractants for copper from ammonia leach solutions †","Journal of the Chemical Society, Dalton Transactions","2001","","8","1239","","10.1039/b101780m","","","0.71073","MoKα","","0.1758","0.0846","","","0.1764","0.2211","","","","","","0.99","","","","has coordinates","211332","2020-10-21","18:00:00","" "7010659","11.274","0.002","16.244","0.003","14.3527","0.0015","90","","96.465","0.009","90","","2611.8","0.7","183","2","183","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C28 H30 Al2 Fe N2 O2 -","- C28 H30 Al2 Fe N2 O2 -","- C112 H120 Al8 Fe4 N8 O8 -","4","0.5","","Vernon C. Gibson; Nicholas J. Long; Edward L. Marshall; Philip J. Oxford; Andrew J. P. White; David J. Williams","The synthesis and metal coordination chemistry of new 1,1'-N-substituted ferrocenediyl ligands derived from 1,1'-diaminoferrocene","J. Chem. Soc., Dalton Trans.","2001","","8","1162","1164","10.1039/b101795k","","","0.71073","MoKα","","0.0667","0.0431","","0.1095","0.0965","","","","1.012","1.068","1.068","","","","","has coordinates","176453","2020-10-21","18:00:00","" "7010660","21.218","0.0004","10.6229","0.0002","16.4624","0.0004","90","","90","","90","","3710.57","0.13","298","2","298","2","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C43 H42 Fe N O P Pd -","- C43 H42 Fe N O P Pd -","- C172 H168 Fe4 N4 O4 P4 Pd4 -","4","1","","Félix A. Jalón; Blanca R. Manzano; Felipe Gómez-de la Torre; Ana M. López-Agenjo; Ana M. Rodríguez; Walter Weissensteiner; Thomas Sturm; José Mahía; Miguel Maestro","NMR study on the coordination of dibenzylideneacetone to chiral palladium(0) units. Fluxional behaviour including an intramolecular double bond exchange","J. Chem. Soc., Dalton Trans.","2001","","16","2417","2424","10.1039/b101912k","","","0.71073","MoKα","","0.0923","0.0456","","","0.0736","0.0881","","","","","","1.015","","","","has coordinates","179810","2020-10-21","18:00:00","" "7010661","7.539","0.008","8.272","0.004","12.473","0.002","81.78","0.03","82.77","0.05","88.05","0.08","763.6","0.9","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C14 H20 Cl Ir N2 S -","- C14 H20 Cl Ir N2 S -","- C28 H40 Cl2 Ir2 N4 S2 -","2","1","","Rojas, Sergio; Fierro, José Luis García; Fandos, Rosa; Rodríguez, Ana; Terreros, Pilar","Synthesis, structure and hydroformylation activity of monomer rhodium and iridium pyrimidine thiolate complexes","Journal of the Chemical Society, Dalton Transactions","2001","","15","2316","","10.1039/b101915p","","","0.7107","MoKα","","0.0308","0.0253","","0.0857","0.074","","","","0.718","0.659","0.659","","","","","has coordinates","179810","2020-10-21","18:00:00","" "7010662","6.9019","0.0002","13.3935","0.0004","11.2534","0.0001","90","","103.257","0.002","90","","1012.55","0.04","178.2","","178.2","","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C8 H7 N2 O2 Rh S -","- C8 H7 N2 O2 Rh S -","- C32 H28 N8 O8 Rh4 S4 -","4","1","","Rojas, Sergio; Fierro, José Luis García; Fandos, Rosa; Rodríguez, Ana; Terreros, Pilar","Synthesis, structure and hydroformylation activity of monomer rhodium and iridium pyrimidine thiolate complexes","Journal of the Chemical Society, Dalton Transactions","2001","","15","2316","","10.1039/b101915p","","","0.7107","MoKα","","","0.0266","","","0.0277","","","","","0.96","0.96","","","","","has coordinates","176453","2020-10-21","18:00:00","" "7010663","14.578","0.009","14.578","0.009","26.47","0.02","90","","90","","120","","4872","6","296.2","","","","","","","","","","","8","R -3 :H","-R 3","148","","","","- C12 H36 Cl3 Ir2 N6 O12 S6 V -","- C12 H36 Cl3 Ir2 N6 O12 S6 V -","- C72 H216 Cl18 Ir12 N36 O72 S36 V6 -","6","0.333333","","Miyashita, Yoshitaro; Hamajima, Masato; Yamada, Yasunori; Fujisawa, Kiyoshi; Okamoto, Ken-ichi","Synthesis, characterization and reactivity of linear-type S-bridged trinuclear complexes containing vanadium(III) ion. Crystal structures of [VIII{M(aet)3}2](ClO4)3 (M = RhIII, IrIII; aet = 2-aminoethanethiolate)†","Journal of the Chemical Society, Dalton Transactions","2001","","14","2089","","10.1039/b101965l","","","0.7107","MoKα","","","0.0417","","","","0.0474","","","","","","1.36","","","","has coordinates","176453","2020-10-21","18:00:00","" "7010664","14.517","0.004","14.517","0.004","26.68","0.005","90","","90","","120","","4869","2","296.2","","","","","","","","","","","8","R -3 :H","-R 3","148","","","","- C12 H36 Cl3 N6 O12 Rh2 S6 V -","- C12 H36 Cl3 N6 O12 Rh2 S6 V -","- C72 H216 Cl18 N36 O72 Rh12 S36 V6 -","6","0.333333","","Miyashita, Yoshitaro; Hamajima, Masato; Yamada, Yasunori; Fujisawa, Kiyoshi; Okamoto, Ken-ichi","Synthesis, characterization and reactivity of linear-type S-bridged trinuclear complexes containing vanadium(III) ion. Crystal structures of [VIII{M(aet)3}2](ClO4)3 (M = RhIII, IrIII; aet = 2-aminoethanethiolate)†","Journal of the Chemical Society, Dalton Transactions","2001","","14","2089","","10.1039/b101965l","","","0.7107","MoKα","","","0.0484","","","","0.0703","","","","","","1.296","","","","has coordinates","176453","2020-10-21","18:00:00","" "7010665","21.3363","0.0005","21.3363","0.0005","15.5207","0.0006","90","","90","","90","","7065.6","0.4","200","1","200","1","","","","","","","","6","I 41/a :2","-I 4ad","88","","","","- C34 H28 Br4 N8 O14 Re4 -","- C34 H28 Br4 N8 O14 Re4 -","- C136 H112 Br16 N32 O56 Re16 -","4","0.25","","T. Rajendran; Bala Manimaran; Fang-Yuan Lee; Po-Jui Chen; Su-Ching Lin; Gene-Hsiang Lee; Shie-Ming Peng; Yu-Ju Chen; Kuang-Lieh Lu","Self-assembly of tetrametallic square [Re4(CO)12Br4(μ-pz)4] (pz = pyrazine) from [Re(CO)4Br(pz)]. A mechanistic approach","J. Chem. Soc., Dalton Trans.","2001","","22","3346","3351","10.1039/b101992i","","","0.71073","MoKα","","0.0713","0.0483","","","0.1404","0.1674","","","","","","1.088","","","","has coordinates,has disorder","179810","2020-10-21","18:00:00","" "7010666","15.2109","0.0006","11.7281","0.0005","14.1821","0.0006","90","","90","","90","","2530.02","0.18","298","","298","","","","","","","","hydrothermal reaction","6","F d d 2","F 2 -2d","43","","","","- C2 H14 N6 O6 P2 Zn -","- C2 H14 N6 O6 P2 Zn -","- C16 H112 N48 O48 P16 Zn8 -","8","0.5","","Harrison, William T. A.; Phillips, Mark L. F.; Nenoff, Tina M.","(CN3H6)2·Zn(HPO3)2: An open-framework zincophosphite built up from polyhedral 12-rings","Journal of the Chemical Society, Dalton Transactions","2001","","17","2459","","10.1039/b102007m","","","0.71073","MoKα","","","0.0203","","","","0.0246","","","","","","1.03","","","","has coordinates","176453","2020-10-21","18:00:00","" "7010667","14.448","0.001","14.68","0.001","16.137","0.001","101.58","0.01","90.07","0.01","96.13","0.01","3332.9","0.4","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","","","- C26.5 H53 B10 N O2 Si -","- C24.485 H35 B10 N O2 Si -","- C97.94 H140 B40 N4 O8 Si4 -","4","2","","Batsanov, Andrei S.; Goeta, Andrés E.; Howard, Judith A. K.; Hughes, Andrew K.; Malget, John M.","The synthesis of closo- and nido-(aminoalkyl)dicarbaboranes: a re-examination of contradictory literature reports, crystal structure of [7-{H3N(CH2)3}-7,8-C2B9H11]·NH2NH2†","Journal of the Chemical Society, Dalton Transactions","2001","","12","1820","","10.1039/b102009i","","","0.71073","MoKα","","0.1319","0.0835","","","0.2354","0.275","","","","","","1.04","","","","has coordinates","176453","2020-10-21","18:00:00","" "7010668","11.267","0.003","17.101","0.004","17.462","0.004","90","","95.638","0.004","90","","3348.2","1.4","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C28 H54 B9 N2 O2 -","- C28 H55 B9 N2 O2 -","- C112 H220 B36 N8 O8 -","4","1","","Batsanov, Andrei S.; Goeta, Andrés E.; Howard, Judith A. K.; Hughes, Andrew K.; Malget, John M.","The synthesis of closo- and nido-(aminoalkyl)dicarbaboranes: a re-examination of contradictory literature reports, crystal structure of [7-{H3N(CH2)3}-7,8-C2B9H11]·NH2NH2†","Journal of the Chemical Society, Dalton Transactions","2001","","12","1820","","10.1039/b102009i","","","0.71073","MoKα","","0.1186","0.0653","","","0.1634","0.2012","","","","","","1.014","","","","has coordinates","213973","2020-10-21","18:00:00","" "7010669","10.707","0.002","12.477","0.002","20.805","0.004","90","","90","","90","","2779.4","0.9","120","2","120","2","","","","","","","","4","C 2 2 21","C 2c 2","20","","","","- C5 H24 B9 N3 -","- C5 H24 B9 N3 -","- C40 H192 B72 N24 -","8","1","","Batsanov, Andrei S.; Goeta, Andrés E.; Howard, Judith A. K.; Hughes, Andrew K.; Malget, John M.","The synthesis of closo- and nido-(aminoalkyl)dicarbaboranes: a re-examination of contradictory literature reports, crystal structure of [7-{H3N(CH2)3}-7,8-C2B9H11]·NH2NH2†","Journal of the Chemical Society, Dalton Transactions","2001","","12","1820","","10.1039/b102009i","","","0.71073","MoKα","","0.0546","0.0446","","","0.1083","0.1148","","","","","","1.078","","","","has coordinates","213973","2020-10-21","18:00:00","" "7010670","9.43","0.002","23.019","0.005","12.14","0.003","90","","103.43","0.01","90","","2563.2","1","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H40 B9 N3 O3 -","- C18 H40 B9 N3 O3 -","- C72 H160 B36 N12 O12 -","4","1","","Batsanov, Andrei S.; Goeta, Andrés E.; Howard, Judith A. K.; Hughes, Andrew K.; Malget, John M.","The synthesis of closo- and nido-(aminoalkyl)dicarbaboranes: a re-examination of contradictory literature reports, crystal structure of [7-{H3N(CH2)3}-7,8-C2B9H11]·NH2NH2†","Journal of the Chemical Society, Dalton Transactions","2001","","12","1820","","10.1039/b102009i","","","0.71073","MoKα","","0.0902","0.051","","","0.1106","0.1313","","","","","","1.024","","","","has coordinates","179810","2020-10-21","18:00:00","" "7010671","12.4604","0.0006","8.4351","0.0006","22.9507","0.0015","90","","104.261","0.004","90","","2337.9","0.3","173","2","173","2","","","","","","","synthesis as described","5","P 1 21/n 1","-P 2yn","14","[(C7H12N3)2TiCl2].toluene","","","- C21 H32 Cl2 N6 Ti -","- C21 H32 Cl2 N6 Ti -","- C84 H128 Cl8 N24 Ti4 -","4","1","","Coles, Martyn P.; Hitchcock, Peter B.","Titanium complexes incorporating bicyclic guanidinate ligands. Structure of a novel titanium‒aluminium complex","Journal of the Chemical Society, Dalton Transactions","2001","","8","1169","","10.1039/b102034j","","x-ray","0.71073","MoKα","","0.0619","0.0405","","","0.0834","0.0914","","","","","","1.006","","","","has coordinates","213973","2020-10-21","18:00:00","" "7010672","32.1612","0.0012","8.7247","0.0006","22.3495","0.0011","90","","120.135","0.003","90","","5423.6","0.5","173","2","173","2","","","","","","","synthesis as described","6","C 1 2/c 1","-C 2yc","15","[TiCl(CLAlMe3)(C7H12N3)2AlMe2]","","","- C19 H39 Al2 Cl2 N6 Ti -","- C19 H39 Al2 Cl2 N6 Ti -","- C152 H312 Al16 Cl16 N48 Ti8 -","8","1","","Coles, Martyn P.; Hitchcock, Peter B.","Titanium complexes incorporating bicyclic guanidinate ligands. Structure of a novel titanium‒aluminium complex","Journal of the Chemical Society, Dalton Transactions","2001","","8","1169","","10.1039/b102034j","","x-ray","0.71073","MoKα","","0.0792","0.0464","","","0.0927","0.1058","","","","","","1.021","","","","has coordinates,has disorder","213973","2020-10-21","18:00:00","" "7010673","10.9438","0.001","13.4026","0.0013","16.912","0.002","90","","97.921","0.002","90","","2456.9","0.4","298","2","298","2","","","","","","","-","5","P 1 21/n 1","-P 2yn","14","","","","- C27.5 H20 N3 O3.5 V -","- C27.5 H20 N3 O3.5 V -","- C110 H80 N12 O14 V4 -","4","1","","Manos, Manolis J.; Tasiopoulos, Anastasios J.; Raptopoulou, Catherine; Terzis, Aris; Woollins, J. Derek; Slawin, Alexandra M. Z.; Keramidas, Anastasios D.; Kabanos, Themistoklis A.","Unexpected reduction of vanadium(IV) to vanadium(III) in the presence of the chelate ligands 2,2'-bipyridine (bpy) and 1,8-hydroxyquinoline (Hquin)","Journal of the Chemical Society, Dalton Transactions","2001","","10","1556","","10.1039/b102095l","","","0.71073","MoKα","","0.0573","0.0412","","0.1708","0.1326","","","","0.916","0.969","0.969","","","","","has coordinates","176453","2020-10-21","18:00:00","" "7010674","12.616","0.002","12.451","0.002","14.337","0.003","90","","115.699","0.006","90","","2029.3","0.6","298","","298","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C18 H21 Cl2 N2 O3 V -","- C18 H21 Cl2 N2 O3 V -","- C72 H84 Cl8 N8 O12 V4 -","4","1","","Manos, Manolis J.; Tasiopoulos, Anastasios J.; Raptopoulou, Catherine; Terzis, Aris; Woollins, J. Derek; Slawin, Alexandra M. Z.; Keramidas, Anastasios D.; Kabanos, Themistoklis A.","Unexpected reduction of vanadium(IV) to vanadium(III) in the presence of the chelate ligands 2,2'-bipyridine (bpy) and 1,8-hydroxyquinoline (Hquin)","Journal of the Chemical Society, Dalton Transactions","2001","","10","1556","","10.1039/b102095l","","","0.7107","MoKα","","0.1267","0.069","","0.2357","0.184","","","","1.1","1.141","1.141","","","","","has coordinates","179810","2020-10-21","18:00:00","" "7010675","14.915","0.015","15.029","0.014","11.091","0.012","90.15","0.03","99.02","0.04","107.11","0.03","2344","4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C40 H72 N2 O8 V2 -","- C40 H72 N2 O8 V2 -","- C80 H144 N4 O16 V4 -","2","1","","Manos, Manolis J.; Tasiopoulos, Anastasios J.; Raptopoulou, Catherine; Terzis, Aris; Woollins, J. Derek; Slawin, Alexandra M. Z.; Keramidas, Anastasios D.; Kabanos, Themistoklis A.","Unexpected reduction of vanadium(IV) to vanadium(III) in the presence of the chelate ligands 2,2'-bipyridine (bpy) and 1,8-hydroxyquinoline (Hquin)","Journal of the Chemical Society, Dalton Transactions","2001","","10","1556","","10.1039/b102095l","","","0.71073","MoKα","","0.1078","0.091","","0.2555","0.2328","","","","1.067","1.102","1.102","","","","","has coordinates","179810","2020-10-21","18:00:00","" "7010676","10.444","0.009","11.479","0.009","20.085","0.005","90","","90.24","0.05","90","","2408","3","180","2","180","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C32 H80 N8 O12 Ti4 -","- C32 H80 N8 O12 Ti4 -","- C64 H160 N16 O24 Ti8 -","2","0.5","","Brian F. G. Johnson; Marek C. Klunduk; Timothy J. O'Connell; Calum McIntosh; John Ridland","The compound [Ti4O4{OCH2CH2N(CH3)2}8] containing the new Ti4O4 cluster core","J. Chem. Soc., Dalton Trans.","2001","","10","1553","1555","10.1039/b102099o","","","0.71073","MoKα","","0.0941","0.0629","","","0.1513","0.1668","","","","","","0.995","","","","has coordinates,has disorder","179810","2020-10-21","18:00:00","" "7010677","10.192","0.002","15.336","0.003","16.322","0.005","90","","90","","90","","2551.2","1.1","150","2","150","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C28 H26 Cl2 Mn N3 O3 -","- C28 H26 Cl2 Mn N3 O3 -","- C112 H104 Cl8 Mn4 N12 O12 -","4","1","","Lewis, Elizabeth A.; Lindsay Smith, John R.; Walton, Paul H.; Archibald, Stephen J.; Foxon, Simon P.; Giblin, Gerard M. P.","Tuning the metal-based redox potentials of manganese cis,cis-1,3,5-triaminocyclohexane complexes","Journal of the Chemical Society, Dalton Transactions","2001","","8","1159","","10.1039/b102103f","","","0.71069","MoKα","","0.0934","0.0371","","","0.0823","0.1022","","","","","","1.03","","","","has coordinates,has disorder","179810","2020-10-21","18:00:00","" "7010678","36.598","0.013","7.8891","0.0012","22.623","0.007","90","","126.725","0.015","90","","5235","3","150","2","150","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C27 H24 F6 Mn N3 O3 P -","- C27 H24 F6 Mn N3 O3 P -","- C216 H192 F48 Mn8 N24 O24 P8 -","8","1","","Lewis, Elizabeth A.; Lindsay Smith, John R.; Walton, Paul H.; Archibald, Stephen J.; Foxon, Simon P.; Giblin, Gerard M. P.","Tuning the metal-based redox potentials of manganese cis,cis-1,3,5-triaminocyclohexane complexes","Journal of the Chemical Society, Dalton Transactions","2001","","8","1159","","10.1039/b102103f","","","0.71069","MoKα","","0.2395","0.0686","","","0.1734","0.2525","","","","","","0.977","","","","has coordinates","213973","2020-10-21","18:00:00","" "7010679","16.5828","0.0012","9.5349","0.0009","31.467","0.003","90","","90","","90","","4975.4","0.8","153","2","153","2","","","","","","","","5","C m c a","-C 2ac 2","64","","","","- C25 H31 Cl O3 Ru4 -","- C25 H31 Cl O3 Ru4 -","- C200 H248 Cl8 O24 Ru32 -","8","","","Chérioux, Frédéric; Maisse-François, Aline; Neels, Antonia; Stoeckli-Evans, Helen; Süss-Fink, Georg","Nucleophilic addition reactions on the electron-deficient cluster dication [H4Ru4(C6H6)4]2+: synthesis and structural characterisation of the water-soluble cluster cations [H3Ru4(C6H6)4(CO)]+and [H3Ru4(C6H6)4(OH)]2+†","Journal of the Chemical Society, Dalton Transactions","2001","","14","2184","","10.1039/b102108g","","","0.71073","MoKα","","0.0439","0.0397","","","0.0951","0.099","","","","","","1.045","","","","has coordinates","179810","2020-10-21","18:00:00","" "7010680","9.4441","0.001","16.2936","0.0013","11.2913","0.0012","90","","106.534","0.012","90","","1665.6","0.3","153","2","153","2","","","","","","","","5","C 1 m 1","C -2y","8","","","","- C24 H46 Cl2 O10 Ru4 -","- C24 H27 Cl2 O10 Ru4 -","- C48 H54 Cl4 O20 Ru8 -","2","0.5","","Chérioux, Frédéric; Maisse-François, Aline; Neels, Antonia; Stoeckli-Evans, Helen; Süss-Fink, Georg","Nucleophilic addition reactions on the electron-deficient cluster dication [H4Ru4(C6H6)4]2+: synthesis and structural characterisation of the water-soluble cluster cations [H3Ru4(C6H6)4(CO)]+and [H3Ru4(C6H6)4(OH)]2+†","Journal of the Chemical Society, Dalton Transactions","2001","","14","2184","","10.1039/b102108g","","","0.71073","MoKα","","0.0435","0.0345","","","0.0734","0.0755","","","","","","0.952","","","","has coordinates","179810","2020-10-21","18:00:00","" "7010681","30.157","0.006","7.7196","0.0015","22.875","0.005","90","","94.68","0.03","90","","5307.5","1.9","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C12 H36 Co2 N8 S5 Sb2 -","- C12 H36 Co2 N8 S5 Sb2 -","- C96 H288 Co16 N64 S40 Sb16 -","8","1","","Stähler, Ralph; Bensch, Wolfgang","Thioantimonate(III) anions acting as bridging ligands in neutral transition metal complexes: solvothermal synthesis and characterisation of the two novel compounds [Co(C6H18N4)]2Sb4S8 and [Co(C6H18N4)]2Sb2S5 containing [Sb4S8]4‒ and [Sb2S5]4‒ anions","Journal of the Chemical Society, Dalton Transactions","2001","","17","2518","","10.1039/b102273n","","","0.71073","MoKα","","0.0311","0.0235","","","0.0561","0.0586","","","","","","1.013","","","","has coordinates","213973","2020-10-21","18:00:00","" "7010682","17.936","0.004","13.442","0.003","14","0.003","90","","101.73","0.03","90","","3304.9","1.3","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C12 H36 Co2 N8 S8 Sb4 -","- C12 H36 Co2 N8 S8 Sb4 -","- C48 H144 Co8 N32 S32 Sb16 -","4","1","","Stähler, Ralph; Bensch, Wolfgang","Thioantimonate(III) anions acting as bridging ligands in neutral transition metal complexes: solvothermal synthesis and characterisation of the two novel compounds [Co(C6H18N4)]2Sb4S8 and [Co(C6H18N4)]2Sb2S5 containing [Sb4S8]4‒ and [Sb2S5]4‒ anions","Journal of the Chemical Society, Dalton Transactions","2001","","17","2518","","10.1039/b102273n","","","0.71073","MoKα","","0.0369","0.0236","","","0.0521","0.055","","","","","","1.037","","","","has coordinates","213973","2020-10-21","18:00:00","" "7010683","9.5957","0.0002","9.739","0.0002","12.1048","0.0002","79.93","0.001","87.593","0.001","86.115","0.001","1110.71","0.04","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C22 H22 Cl2 N2 O2 Pt S -","- C22 H22 Cl2 N2 O2 Pt S -","- C44 H44 Cl4 N4 O4 Pt2 S2 -","2","1","","Wagner, Gabriele; Haukka, Matti","Stereoselective [2 + 3] cycloaddition of nitrones to platinum-bound organonitriles. First enantioselective synthesis of Δ4-1,2,4-oxadiazolines†","Journal of the Chemical Society, Dalton Transactions","2001","","18","2690","","10.1039/b102291c","","","0.71073","MoKα","","0.0229","0.0214","","","0.0522","0.0531","","","","","","1.06","","","","has coordinates","179810","2020-10-21","18:00:00","" "7010684","20.397","0.0018","20.397","0.0018","17.347","0.003","90","","90","","120","","6250.1","1.3","173","2","173","2","","","","","","","","5","R 3 :H","R 3","146","","","","- C45 H49 B N9 Tl -","- C45 H49 B N9 Tl -","- C270 H294 B6 N54 Tl6 -","6","0.666667","","Motson, Graham R.; Mamula, Olimpia; Jeffery, John C.; McCleverty, Jon A.; Ward, Michael D.; von Zelewsky, Alex","A C3-symmetric chiral hexadentate podand ligand based on a tris(pyrazolyl)borate core","Journal of the Chemical Society, Dalton Transactions","2001","","9","1389","","10.1039/b102295b","","","0.71073","MoKα","","0.0327","0.0261","","","0.0489","0.0502","","","","","","0.921","","","","has coordinates","213973","2020-10-21","18:00:00","" "7010685","12.6126","0.0017","17.623","0.002","24.975","0.004","90","","90","","90","","5551.2","1.3","173","2","173","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C48 H55 B Cl6 N11 O6 Tb -","- C48 H55 B Cl6 N11 O6 Tb -","- C192 H220 B4 Cl24 N44 O24 Tb4 -","4","1","","Motson, Graham R.; Mamula, Olimpia; Jeffery, John C.; McCleverty, Jon A.; Ward, Michael D.; von Zelewsky, Alex","A C3-symmetric chiral hexadentate podand ligand based on a tris(pyrazolyl)borate core","Journal of the Chemical Society, Dalton Transactions","2001","","9","1389","","10.1039/b102295b","","","0.71073","MoKα","","0.0416","0.0357","","","0.0893","0.0914","","","","","","1.008","","","","has coordinates,has disorder","213973","2020-10-21","18:00:00","" "7010686","14.0454","0.0017","14.0454","0.0017","42.091","0.006","90","","90","","120","","7191","1.6","293","2","293","2","","","","","","","","6","R -3 c :H","-R 3 2""c","167","","","","- C8 H23 Al11 N4 O48 P12 -","- Al11 O48 P12 -","- Al66 O288 P72 -","6","0.166667","","Wang, Kaixue; Yu, Jihong; Shi, Zhan; Miao, Peng; Yan, Wenfu; Xu, Ruren","Synthesis and characterization of a new three-dimensional aluminophosphate [Al11P12O48][C4H12N2][C4H11N2] with an Al/P ratio of 11 ∶ 12","Journal of the Chemical Society, Dalton Transactions","2001","","12","1809","","10.1039/b102327f","","","0.71073","MoKα","","0.1139","0.0696","","","0.1908","0.2117","","","","","","1.081","","","","has coordinates","179810","2020-10-21","18:00:00","" "7010687","12.2579","0.001","5.501","0.0004","16.8746","0.0013","90","","101.188","0.001","90","","1116.24","0.15","223","2","223","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C8 H30 Cu2 N4 O15 P4 -","- C8 H20 Cu2 N4 O15 P4 -","- C16 H40 Cu4 N8 O30 P8 -","2","0.5","","Song, Hui-Hua; Zheng, Li-Min; Liu, Yong-Jiang; Xin, Xin-Quan; Jacobson, Allan J.; Decurtins, Silvio","Syntheses, structures and magnetic properties of two copper(Ii) diphosphonates: [NH3(CH2)2NH3]2[Cu2(hedp)2]·H2O and [NH3CH(CH3)CH2NH3]2[Cu2(hedp)2] (hedp = 1-hydroxyethylidenediphosphonate)","Journal of the Chemical Society, Dalton Transactions","2001","","22","3274","","10.1039/b102346m","","","0.71073","MoKα","","0.0304","0.0295","","","0.0843","0.0849","","","","","","1.178","","","","has coordinates","179810","2020-10-21","18:00:00","" "7010688","22.41","0.005","5.4507","0.001","18.89","0.003","90","","107.13","0.02","90","","2205.1","0.8","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C10 H32 Cu2 N4 O14 P4 -","- C10 H32 Cu2 N4 O14 P4 -","- C40 H128 Cu8 N16 O56 P16 -","4","0.5","","Song, Hui-Hua; Zheng, Li-Min; Liu, Yong-Jiang; Xin, Xin-Quan; Jacobson, Allan J.; Decurtins, Silvio","Syntheses, structures and magnetic properties of two copper(Ii) diphosphonates: [NH3(CH2)2NH3]2[Cu2(hedp)2]·H2O and [NH3CH(CH3)CH2NH3]2[Cu2(hedp)2] (hedp = 1-hydroxyethylidenediphosphonate)","Journal of the Chemical Society, Dalton Transactions","2001","","22","3274","","10.1039/b102346m","","","0.71073","MoKα","","0.0388","0.0276","","","0.0709","0.0752","","","","","","1.052","","","","has coordinates","179810","2020-10-21","18:00:00","" "7010689","10.275","0.003","23.194","0.003","13.061","0.002","90","","108.11","0.02","90","","2958.5","1.1","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C44 H60 Cl6 Cu4 N10 O16 -","- C44 H60 Cl6 Cu4 N10 O16 -","- C88 H120 Cl12 Cu8 N20 O32 -","2","0.5","","Gou, Shaohua; Qian, Ming; Yu, Zhi; Duan, Chunying; Sun, Xuefeng; Huang, Wei","Synthesis, molecular structure and magnetic properties of tetranuclear copper(ii) complexes with pendant-arm macrocyclic ligands","Journal of the Chemical Society, Dalton Transactions","2001","","21","3232","","10.1039/b102366g","","","0.71073","MoKα","","0.0953","0.0511","","0.1747","0.1189","","","","1.064","1.064","1.064","","","","","has coordinates,has disorder","179810","2020-10-21","18:00:00","" "7010690","8.415","0.0002","12.8962","0.0002","15.3722","0.0002","90.4394","0.0006","99.6345","0.0005","93.8131","0.0004","1640.74","0.05","173","2","173","2","","","","","","","","8","P -1","-P 1","2","","","","- C27.5 H37 B Cl Cu F4 N6 S3 -","- C27 H36 B Cu F4 N6 S3 -","- C54 H72 B2 Cu2 F8 N12 S6 -","2","1","","Voo, Janis K.; Lam, K. C.; Rheingold, Arnold L.; Riordan, Charles G.","Synthesis, characterization and reactivity of copper(I) imidazole complexes based on a cavitand ligand design†","Journal of the Chemical Society, Dalton Transactions","2001","","12","1803","","10.1039/b102480a","","","0.71073","MoKα","","0.0561","0.0538","","","0.2023","0.2063","","","","","","1.793","","","","has coordinates","176453","2020-10-21","18:00:00","" "7010691","18.6841","0.0002","8.2017","0.0002","19.1047","0.0002","90","","100.873","0.0003","90","","2875.07","0.08","193","2","193","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C24 H33 B Cu F4 N5 S2 -","- C24 H33 B Cu F4 N5 S2 -","- C96 H132 B4 Cu4 F16 N20 S8 -","4","1","","Voo, Janis K.; Lam, K. C.; Rheingold, Arnold L.; Riordan, Charles G.","Synthesis, characterization and reactivity of copper(I) imidazole complexes based on a cavitand ligand design†","Journal of the Chemical Society, Dalton Transactions","2001","","12","1803","","10.1039/b102480a","","","0.71073","MoKα","","0.0631","0.0514","","","0.1686","0.1843","","","","","","1.458","","","","has coordinates","179810","2020-10-21","18:00:00","" "7010692","13.7029","0.0001","13.7029","0.0001","25.8838","0.0001","90","","90","","90","","4860.19","0.05","218","2","218","2","","","","","","","","8","P 41 21 2","P 4abw 2nw","92","","","","- C16.5 H27 B Cl F11 O P Rh -","- C16.5 H27 B Cl F11 O P Rh -","- C132 H216 B8 Cl8 F88 O8 P8 Rh8 -","8","1","","Hughes, Russell P.; Lindner, Danielle C.; Smith, Jeremy M.; Zhang, Donghui; Incarvito, Christopher D.; Lam, Kin-Chung; Liable-Sands, Louise M.; Sommer, Roger D.; Rheingold, Arnold L.","Water, water, everywhere.† Synthesis and structures of perfluoroalkyl rhodium and iridium(III) compounds containing water ligands","Journal of the Chemical Society, Dalton Transactions","2001","","15","2270","","10.1039/b102482p","","","0.71073","MoKα","","0.0641","0.0426","","0.0806","0.0737","","","","1.091","1.12","1.12","","","","","has coordinates","176453","2020-10-21","18:00:00","" "7010693","13.7243","0.0004","13.7243","0.0004","26.0997","0.0007","90","","90","","90","","4916","0.2","198","2","198","2","","","","","","","","8","P 41 21 2","P 4abw 2nw","92","","","","- C16.5 H27 B Cl F11 Ir O P -","- C16.5 H25 B Cl F11 Ir O P -","- C132 H200 B8 Cl8 F88 Ir8 O8 P8 -","8","1","","Hughes, Russell P.; Lindner, Danielle C.; Smith, Jeremy M.; Zhang, Donghui; Incarvito, Christopher D.; Lam, Kin-Chung; Liable-Sands, Louise M.; Sommer, Roger D.; Rheingold, Arnold L.","Water, water, everywhere.† Synthesis and structures of perfluoroalkyl rhodium and iridium(III) compounds containing water ligands","Journal of the Chemical Society, Dalton Transactions","2001","","15","2270","","10.1039/b102482p","","","0.71073","MoKα","","0.0883","0.0517","","0.1004","0.0868","","","","1.084","1.11","1.11","","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00","" "7010694","17.8926","0.0002","8.4162","0.0002","32.0068","0.0002","90","","99.5855","0.0005","90","","4752.54","0.13","173","2","173","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C16 H26 F8 Ir O4 P S -","- C16 H24 F8 Ir O4 P S -","- C128 H192 F64 Ir8 O32 P8 S8 -","8","2","","Hughes, Russell P.; Lindner, Danielle C.; Smith, Jeremy M.; Zhang, Donghui; Incarvito, Christopher D.; Lam, Kin-Chung; Liable-Sands, Louise M.; Sommer, Roger D.; Rheingold, Arnold L.","Water, water, everywhere.† Synthesis and structures of perfluoroalkyl rhodium and iridium(III) compounds containing water ligands","Journal of the Chemical Society, Dalton Transactions","2001","","15","2270","","10.1039/b102482p","","","0.71073","MoKα","","0.0618","0.0523","","","0.1679","0.1781","","","","","","1.367","","","","has coordinates","179810","2020-10-21","18:00:00","" "7010695","7.9856","0.0002","10.2371","0.0002","15.1273","0.0004","83.216","0.001","85.286","0.002","82.055","0.001","1213.47","0.05","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C17 H26 F10 O4 P Rh S -","- C17 H26 F10 O4 P Rh S -","- C34 H52 F20 O8 P2 Rh2 S2 -","2","1","","Hughes, Russell P.; Lindner, Danielle C.; Smith, Jeremy M.; Zhang, Donghui; Incarvito, Christopher D.; Lam, Kin-Chung; Liable-Sands, Louise M.; Sommer, Roger D.; Rheingold, Arnold L.","Water, water, everywhere.† Synthesis and structures of perfluoroalkyl rhodium and iridium(III) compounds containing water ligands","Journal of the Chemical Society, Dalton Transactions","2001","","15","2270","","10.1039/b102482p","","","0.71073","MoKα","","0.0464","0.0454","","","0.1122","0.113","","","","","","1.134","","","","has coordinates","179810","2020-10-21","18:00:00","" "7010696","8.7018","0.0002","11.1491","0.0002","13.578","0.0002","80.5213","0.0005","76.3566","0.0005","81.7157","0.0007","1255.02","0.04","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C17 H26 F10 Ir O4 P S -","- C17 H24 F10 Ir O4 P S -","- C34 H48 F20 Ir2 O8 P2 S2 -","2","1","","Hughes, Russell P.; Lindner, Danielle C.; Smith, Jeremy M.; Zhang, Donghui; Incarvito, Christopher D.; Lam, Kin-Chung; Liable-Sands, Louise M.; Sommer, Roger D.; Rheingold, Arnold L.","Water, water, everywhere.† Synthesis and structures of perfluoroalkyl rhodium and iridium(III) compounds containing water ligands","Journal of the Chemical Society, Dalton Transactions","2001","","15","2270","","10.1039/b102482p","","","0.71073","MoKα","","0.0741","0.0714","","","0.2745","0.2764","","","","","","2.518","","","","has coordinates,has disorder","179810","2020-10-21","18:00:00","" "7010697","12.9162","0.0003","34.8748","0.0006","13.292","0.0003","90","","98.6911","0.0003","90","","5918.6","0.2","223","2","223","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C49 H41 B Cl2 F31 Ir O1.5 P -","- C49 H38 B Cl2 F31 Ir O1.5 P -","- C196 H152 B4 Cl8 F124 Ir4 O6 P4 -","4","1","","Hughes, Russell P.; Lindner, Danielle C.; Smith, Jeremy M.; Zhang, Donghui; Incarvito, Christopher D.; Lam, Kin-Chung; Liable-Sands, Louise M.; Sommer, Roger D.; Rheingold, Arnold L.","Water, water, everywhere.† Synthesis and structures of perfluoroalkyl rhodium and iridium(III) compounds containing water ligands","Journal of the Chemical Society, Dalton Transactions","2001","","15","2270","","10.1039/b102482p","","","0.71073","MoKα","","0.1155","0.0877","","","0.2404","0.2607","","","","","","1.824","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00","" "7010698","9.3292","0.0002","35.4589","0.0007","10.4739","0.0002","90","","107.029","0.0007","90","","3312.89","0.12","173","2","173","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C31 H34 B F11 Ir O2 P -","- C31 H30 B F11 Ir O2 P -","- C124 H120 B4 F44 Ir4 O8 P4 -","4","1","","Hughes, Russell P.; Lindner, Danielle C.; Smith, Jeremy M.; Zhang, Donghui; Incarvito, Christopher D.; Lam, Kin-Chung; Liable-Sands, Louise M.; Sommer, Roger D.; Rheingold, Arnold L.","Water, water, everywhere.† Synthesis and structures of perfluoroalkyl rhodium and iridium(III) compounds containing water ligands","Journal of the Chemical Society, Dalton Transactions","2001","","15","2270","","10.1039/b102482p","","","0.71073","MoKα","","0.0415","0.0378","","","0.1221","0.1273","","","","","","1.083","","","","has coordinates,has disorder","179810","2020-10-21","18:00:00","" "7010699","7.956","0.01","28.043","0.006","15.47","0.01","90","","91.54","0.08","90","","3450","5","296.2","","296.2","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C33 H30 Cl2 Mo N2 O10 P -","- C33 H30 Cl2 Mo N2 O10 P -","- C132 H120 Cl8 Mo4 N8 O40 P4 -","4","1","","Smith, Paul D.; Cooney, J. Jon A.; McInnes, Eric J. L.; Beddoes, Roy L.; Collison, David; Harben, Spencer M.; Helliwell, Madeleine; Mabbs, Frank E.; Mandel, Alexander; Powell, Annie K.; Garner, C. David","New molybdenum(v) analogues of Amavadin and their redox properties","Journal of the Chemical Society, Dalton Transactions","2001","","20","3108","","10.1039/b102531g","","","1.5418","CuKα","","","0.0981","","","0.1297","","","","","3.581","3.581","","","","","has coordinates","209484","2020-10-21","18:00:00","" "7010700","28.23","0.01","30.29","0.01","11.64","0.01","90","","90","","90","","9953","10","293.2","","293.2","","","","","","","","","6","F d d d :2","-F 2uv 2vw","70","","","","- C18 H24 Mo N2 Na O10 -","- C36 H48 Mo N4 Na O20 -","- C288 H384 Mo8 N32 Na8 O160 -","8","0.25","","Smith, Paul D.; Cooney, J. Jon A.; McInnes, Eric J. L.; Beddoes, Roy L.; Collison, David; Harben, Spencer M.; Helliwell, Madeleine; Mabbs, Frank E.; Mandel, Alexander; Powell, Annie K.; Garner, C. David","New molybdenum(v) analogues of Amavadin and their redox properties","Journal of the Chemical Society, Dalton Transactions","2001","","20","3108","","10.1039/b102531g","","","1.5418","CuKα","","0.1355","0.0638","","0.0589","0.0532","","","","1.644","1.944","1.944","","","","","has coordinates","287753","2023-11-23","09:34:44","" "7010701","10.361","0.001","13.921","0.001","6.847","0.001","90","","90","","90","","987.58","0.19","293","2","293","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C12 H21 Mo N2 O12 -","- C12 H21 Mo N2 O12 -","- C24 H42 Mo2 N4 O24 -","2","0.5","","Smith, Paul D.; Cooney, J. Jon A.; McInnes, Eric J. L.; Beddoes, Roy L.; Collison, David; Harben, Spencer M.; Helliwell, Madeleine; Mabbs, Frank E.; Mandel, Alexander; Powell, Annie K.; Garner, C. David","New molybdenum(v) analogues of Amavadin and their redox properties","Journal of the Chemical Society, Dalton Transactions","2001","","20","3108","","10.1039/b102531g","","","0.71073","MoKα","","0.0297","0.0279","","0.076","0.0749","","","","1.098","1.106","1.106","","","","","has coordinates","179811","2020-10-21","18:00:00","" "7010702","12.299","0.01","14.264","0.011","15.317","0.019","63.29","0.08","81.12","0.09","77.38","0.06","2338","4","293","","293","","","","","","","","","6","P -1","-P 1","2","","","","- C45 H48 Cl2 N5 Na O13 -","- C45 H48 Cl2 N5 Na O13 -","- C90 H96 Cl4 N10 Na2 O26 -","2","1","","Adam, Kenneth R.; Atkinson, Ian M.; Kim, Jeong; Lindoy, Leonard F.; Matthews, Owen A.; Meehan, George V.; Raciti, Fiona; Skelton, Brian W.; Svenstrup, Niels; White, Allan H.","Macrocyclic ligand design. A synthetic, solvent extraction, computational and NMR study of the effect of cryptand flexibility on sodium ion affinity†","Journal of the Chemical Society, Dalton Transactions","2001","","16","2388","","10.1039/b102585f","","","0.71073","MoKα","","0.281","0.132","","0.139","","0.139","","","2.034","","","1.982","","","","has coordinates","176432","2020-10-21","18:00:00","" "7010703","13.5088","0.0004","13.5088","0.0004","24.371","0.002","90","","90","","90","","4447.4","0.4","293","2","293","1","","","","","","","","7","I 41 c d","I 4bw -2c","110","Complex 1","","","- C14 H24 Fe2 N2 Ni O2 S6 -","- C14 H24 Fe2 N2 Ni O2 S6 -","- C112 H192 Fe16 N16 Ni8 O16 S48 -","8","0.5","","Smith, Matt C.; Longhurst, Steven; Barclay, J. Elaine; Cramer, Stephen P.; Davies, Sian C.; Hughes, David L.; Gu, Wei-Wei; Evans, David J.","Nickel(II) in an almost regular tetrahedral thiolate environment: a first generation synthetic analogue of the active site of nickel CO-dehydrogenase","Journal of the Chemical Society, Dalton Transactions","2001","","9","1387","","10.1039/b102607k","","","0.71069","Mo-Kα","","0.0665","0.0565","","0.1372","0.1268","","","","1.078","1.123","1.123","","","","","has coordinates","179811","2020-10-21","18:00:00","" "7010704","8.5594","0.0019","6.0337","0.0013","11.022","0.002","90","","105.967","0.003","90","","547.3","0.2","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C4 H20 Al2 N2 -","- C4 H20 Al2 N2 -","- C8 H40 Al4 N4 -","2","0.5","","Tang, Christina Y.; Coxall, Robert A.; Downs, Anthony J.; Greene, Tim M.; Parsons, Simon","Oligomeric structures of the crystalline dimethylamine adducts Me2(H)N·MH3 (M = Al or Ga) and the dimethylamido derivative [Me2NGaH2]3","Journal of the Chemical Society, Dalton Transactions","2001","","14","2141","","10.1039/b102667b","","","0.71073","MoKα","","0.0281","0.0257","","","0.0773","0.0786","","","","","","1.015","","","","has coordinates","179811","2020-10-21","18:00:00","" "7010705","16.965","0.005","6.365","0.002","10.395","0.003","90","","102.29","0.02","90","","1096.8","0.6","150","2","150","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C2 H10 Ga N -","- C2 H10 Ga N -","- C16 H80 Ga8 N8 -","8","1","","Tang, Christina Y.; Coxall, Robert A.; Downs, Anthony J.; Greene, Tim M.; Parsons, Simon","Oligomeric structures of the crystalline dimethylamine adducts Me2(H)N·MH3 (M = Al or Ga) and the dimethylamido derivative [Me2NGaH2]3","Journal of the Chemical Society, Dalton Transactions","2001","","14","2141","","10.1039/b102667b","","","0.71073","MoKα","","0.0563","0.0365","","","0.0847","0.0953","","","","","","1.043","","","","has coordinates","211332","2020-10-21","18:00:00","" "7010706","17.146","0.002","6.3918","0.0012","10.4809","0.0015","90","","102.835","0.011","90","","1119.9","0.3","230","2","230","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C2 H10 Ga N -","- C2 H10 Ga N -","- C16 H80 Ga8 N8 -","8","1","","Tang, Christina Y.; Coxall, Robert A.; Downs, Anthony J.; Greene, Tim M.; Parsons, Simon","Oligomeric structures of the crystalline dimethylamine adducts Me2(H)N·MH3 (M = Al or Ga) and the dimethylamido derivative [Me2NGaH2]3","Journal of the Chemical Society, Dalton Transactions","2001","","14","2141","","10.1039/b102667b","","","0.71073","MoKα","","0.1151","0.0423","","","0.0624","0.0766","","","","","","0.951","","","","has coordinates","179811","2020-10-21","18:00:00","" "7010707","6.4821","0.0011","8.7304","0.0014","25.35","0.004","90","","92.795","0.003","90","","1432.9","0.4","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C6 H24 Ga3 N3 -","- C6 H24 Ga3 N3 -","- C24 H96 Ga12 N12 -","4","1","","Tang, Christina Y.; Coxall, Robert A.; Downs, Anthony J.; Greene, Tim M.; Parsons, Simon","Oligomeric structures of the crystalline dimethylamine adducts Me2(H)N·MH3 (M = Al or Ga) and the dimethylamido derivative [Me2NGaH2]3","Journal of the Chemical Society, Dalton Transactions","2001","","14","2141","","10.1039/b102667b","","","0.71073","MoKα","","0.0489","0.0334","","","0.0629","0.0646","","","","","","0.78","","","","has coordinates","179811","2020-10-21","18:00:00","" "7010708","7.6548","0.0012","11.9968","0.0018","12.832","0.002","90","","103.836","0.003","90","","1144.2","0.3","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","Cd(N,N'-meen)2(2,6nds)","bis(N,N'-dimethylethylenediamine)-cadmium(II) naphthalene-2,6-disulfonate","","- C18 H30 Cd N4 O6 S2 -","- C18 H30 Cd N4 O6 S2 -","- C36 H60 Cd2 N8 O12 S4 -","2","0.5","","Cai, Jiwen; Chen, Cai-Hong; Feng, Xiao-Long; Liao, Cheng-Zhu; Chen, Xiao-Ming","A novel supramolecular synthon for H-bonded coordination networks: syntheses and structures of extended 2-dimensional cadmium(II) arenedisulfonates","Journal of the Chemical Society, Dalton Transactions","2001","","16","2370","","10.1039/b102729h","","","0.71073","MoKα","","0.0328","0.0255","","","0.071","0.074","","","","","","1.07","","","","has coordinates","179811","2020-10-21","18:00:00","" "7010709","8.4306","0.0014","8.5243","0.0014","8.5607","0.0014","87.652","0.003","67.476","0.002","88.91","0.003","567.8","0.16","293","2","293","2","","","","","","","","6","P -1","-P 1","2","Cd(N,N'-meen)2(1,5nds)","bis(N,N'-dimethylethylenediamine)-cadmium(II) naphthalene-1,5-disulfonate","","- C18 H30 Cd N4 O6 S2 -","- C18 H30 Cd N4 O6 S2 -","- C18 H30 Cd N4 O6 S2 -","1","0.5","","Cai, Jiwen; Chen, Cai-Hong; Feng, Xiao-Long; Liao, Cheng-Zhu; Chen, Xiao-Ming","A novel supramolecular synthon for H-bonded coordination networks: syntheses and structures of extended 2-dimensional cadmium(II) arenedisulfonates","Journal of the Chemical Society, Dalton Transactions","2001","","16","2370","","10.1039/b102729h","","","0.71073","MoKα","","0.0402","0.0371","","","0.0915","0.0934","","","","","","1.032","","","","has coordinates","179811","2020-10-21","18:00:00","" "7010710","7.6031","0.001","9.0127","0.0012","9.5933","0.0013","73.237","0.002","84.119","0.002","72.192","0.002","599.21","0.14","293","2","293","2","","","","","","","","6","P -1","-P 1","2","Cd(N,N'-meen)2(bpds)","bis(N,N'-dimethylethylenediamine)-cadmium(II) 4,4'-biphenyldisulfonate","","- C20 H32 Cd N4 O6 S2 -","- C20 H32 Cd N4 O6 S2 -","- C20 H32 Cd N4 O6 S2 -","1","0.5","","Cai, Jiwen; Chen, Cai-Hong; Feng, Xiao-Long; Liao, Cheng-Zhu; Chen, Xiao-Ming","A novel supramolecular synthon for H-bonded coordination networks: syntheses and structures of extended 2-dimensional cadmium(II) arenedisulfonates","Journal of the Chemical Society, Dalton Transactions","2001","","16","2370","","10.1039/b102729h","","","0.71073","MoKα","","0.0348","0.0324","","","0.0862","0.088","","","","","","1.023","","","","has coordinates","179811","2020-10-21","18:00:00","" "7010711","8.4953","0.0011","9.6732","0.0013","14.0313","0.0018","90","","90.412","0.002","90","","1153","0.3","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","Cd(N-meen)2(2,6nds).2H2O","bis(N-methylethylenediamine)-cadmium(II) naphthalene-2,6-disulfonate dihydrate","","- C16 H30 Cd N4 O8 S2 -","- C16 H26 Cd N4 O8 S2 -","- C32 H52 Cd2 N8 O16 S4 -","2","0.5","","Cai, Jiwen; Chen, Cai-Hong; Feng, Xiao-Long; Liao, Cheng-Zhu; Chen, Xiao-Ming","A novel supramolecular synthon for H-bonded coordination networks: syntheses and structures of extended 2-dimensional cadmium(II) arenedisulfonates","Journal of the Chemical Society, Dalton Transactions","2001","","16","2370","","10.1039/b102729h","","","0.71073","MoKα","","0.0328","0.0286","","","0.0788","0.0809","","","","","","1.078","","","","has coordinates","179811","2020-10-21","18:00:00","" "7010712","9.279","0.001","10.3777","0.0009","11.271","0.001","112.207","0.002","94.849","0.003","114.17","0.004","879.19","0.15","193.2","","193.2","","","","","","","","","5","P -1","-P 1","2","","","","- C20 H14 Co N2 O5 -","- C20 H12 Co N2 O5 -","- C40 H24 Co2 N4 O10 -","2","1","","Sun, Daofeng; Cao, Rong; Liang, Yucang; Shi, Qian; Su, Weiping; Hong, Maochun","Hydrothermal syntheses, structures and properties of terephthalate-bridged polymeric complexes with zig-zag chain and channel structures","Journal of the Chemical Society, Dalton Transactions","2001","","16","2335","","10.1039/b102888j","","","0.7107","MoKα","","0.031","0.031","","","0.0406","0.0406","","","","","","2.516","","","","has coordinates","176453","2020-10-21","18:00:00","" "7010713","15.286","0.007","10.143","0.003","10.49","0.004","90","","93.77","0.03","90","","1622.9","1.1","293","2","293","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C20 H12 Cu N2 O4 -","- C20 H12 Cu N2 O4 -","- C80 H48 Cu4 N8 O16 -","4","1","","Sun, Daofeng; Cao, Rong; Liang, Yucang; Shi, Qian; Su, Weiping; Hong, Maochun","Hydrothermal syntheses, structures and properties of terephthalate-bridged polymeric complexes with zig-zag chain and channel structures","Journal of the Chemical Society, Dalton Transactions","2001","","16","2335","","10.1039/b102888j","","","0.71073","MoKα","","0.0404","0.0309","","","0.072","0.0785","","","","","","1.05","","","","has coordinates","179811","2020-10-21","18:00:00","" "7010714","9.1894","0.0004","10.5765","0.0005","11.5636","0.0006","114.621","0.001","91.562","0.002","115.147","0.001","895.92","0.08","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H14 N2 O5 Zn -","- C20 H14 N2 O5 Zn -","- C40 H28 N4 O10 Zn2 -","2","1","","Sun, Daofeng; Cao, Rong; Liang, Yucang; Shi, Qian; Su, Weiping; Hong, Maochun","Hydrothermal syntheses, structures and properties of terephthalate-bridged polymeric complexes with zig-zag chain and channel structures","Journal of the Chemical Society, Dalton Transactions","2001","","16","2335","","10.1039/b102888j","","","0.71073","MoKα","","0.0557","0.0444","","","0.113","0.1205","","","","","","1.049","","","","has coordinates","213973","2020-10-21","18:00:00","" "7010715","23.099","0.003","10.5089","0.0005","16.804","0.002","90","","135.783","0.003","90","","2844.7","0.5","193.2","","193.2","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C16 H10 Cd Cl N2 O2 -","- C16 H10 Cd Cl N2 O2 -","- C128 H80 Cd8 Cl8 N16 O16 -","8","1","","Sun, Daofeng; Cao, Rong; Liang, Yucang; Shi, Qian; Su, Weiping; Hong, Maochun","Hydrothermal syntheses, structures and properties of terephthalate-bridged polymeric complexes with zig-zag chain and channel structures","Journal of the Chemical Society, Dalton Transactions","2001","","16","2335","","10.1039/b102888j","","","0.7107","MoKα","","0.0154","0.0154","","","0.0252","0.0252","","","","","","1.891","","","","has coordinates","176453","2020-10-21","18:00:00","" "7010716","17.51","0.006","10.394","0.003","9.373","0.004","90","","95.88","0.02","90","","1696.9","1.1","293","2","293","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C20 H12 Mn N2 O4 -","- C20 H12 Mn N2 O4 -","- C80 H48 Mn4 N8 O16 -","4","1","","Sun, Daofeng; Cao, Rong; Liang, Yucang; Shi, Qian; Su, Weiping; Hong, Maochun","Hydrothermal syntheses, structures and properties of terephthalate-bridged polymeric complexes with zig-zag chain and channel structures","Journal of the Chemical Society, Dalton Transactions","2001","","16","2335","","10.1039/b102888j","","","0.71073","MoKα","","0.0451","0.0372","","0.105","0.0973","","","","1.054","1.057","1.057","","","","","has coordinates","179811","2020-10-21","18:00:00","" "7010717","14.962","0.002","7.5234","0.0009","15.804","0.002","90","","102.137","0.009","90","","1739.2","0.4","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Diaqua(glycylglycianato)copper(II) hydrate","","- C4 H12 Cu N2 O6 -","- C4 H12 Cu N2 O6 -","- C32 H96 Cu8 N16 O48 -","8","2","","Bytheway, Ian; Figgis, Brian N.; Sobolev, Alexandre N.","Charge density in Cu(glygly)(OH2)2·H2O at 10 K and the reproducibility of atomic orbital populations","Journal of the Chemical Society, Dalton Transactions","2001","","22","3285","","10.1039/b102891j","","","0.71073","MoKα","","0.0289","0.0248","","","0.0661","0.069","","","","","","1.163","","","","has coordinates","179811","2020-10-21","18:00:00","" "7010718","14.8413","0.0009","7.4402","0.0005","15.765","0.002","90","","102.242","0.005","90","","1701.2","0.3","10.2","0.8","10.2","0.8","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Diaqua(glycylglycianato)copper(II) hydrate","","- C4 H12 Cu N2 O6 -","- C4 H12 Cu N2 O6 -","- C32 H96 Cu8 N16 O48 -","8","2","","Bytheway, Ian; Figgis, Brian N.; Sobolev, Alexandre N.","Charge density in Cu(glygly)(OH2)2·H2O at 10 K and the reproducibility of atomic orbital populations","Journal of the Chemical Society, Dalton Transactions","2001","","22","3285","","10.1039/b102891j","","","0.71073","MoKα","","0.0324","0.0252","","","0.0608","0.0638","","","","","","1.108","","","","has coordinates","179811","2020-10-21","18:00:00","" "7010719","14.8413","0.0009","7.4402","0.0005","15.765","0.002","90","","102.242","0.005","90","","1701.2","0.3","10.2","0.8","10.2","0.8","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Diaqua(glycylglycianato)copper(II) hydrate","","- C4 H12 Cu N2 O6 -","- C4 H12 Cu N2 O6 -","- C32 H96 Cu8 N16 O48 -","8","2","","Bytheway, Ian; Figgis, Brian N.; Sobolev, Alexandre N.","Charge density in Cu(glygly)(OH2)2·H2O at 10 K and the reproducibility of atomic orbital populations","Journal of the Chemical Society, Dalton Transactions","2001","","22","3285","","10.1039/b102891j","","","0.71073","MoKα","","0.0333","0.0221","","","0.0299","0.0483","","","","","","1.4265","","","","has coordinates","179811","2020-10-21","18:00:00","" "7010720","14.8413","0.0009","7.4402","0.0005","15.765","0.002","90","","102.242","0.005","90","","1701.2","0.3","10.2","0.8","10.2","0.8","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Diaqua(glycylglycianato)copper(II) hydrate","","- C4 H12 Cu N2 O6 -","- C4 H12 Cu N2 O6 -","- C32 H96 Cu8 N16 O48 -","8","2","","Bytheway, Ian; Figgis, Brian N.; Sobolev, Alexandre N.","Charge density in Cu(glygly)(OH2)2·H2O at 10 K and the reproducibility of atomic orbital populations","Journal of the Chemical Society, Dalton Transactions","2001","","22","3285","","10.1039/b102891j","","","0.71073","MoKα","","0.0273","0.0223","","","","0.0509","","","","","","1.4824","","","","has coordinates","179811","2020-10-21","18:00:00","" "7010721","16.344","0.004","16.344","0.004","26.728","0.007","90","","90","","120","","6183","3","293","2","293","2","","","","","","","","6","R -3 c :H","-R 3 2""c","167","","","","- C18 H36 Gd Mo6 N3 O33 -","- C18 H24 Gd Mo6 N3 O33 -","- C108 H144 Gd6 Mo36 N18 O198 -","6","0.166667","","Wu, Chuan-De; Lu, Can-Zhong; Liu, Jia-Cheng; Zhuang, Hong-Hui; Huang, Jin-Shun","A new heterometalate anion [GdMo6(CH3CHOCOO)6O15]3– with a nine-coordinate gadolinium encapsulated at the center","Journal of the Chemical Society, Dalton Transactions","2001","","21","3202","","10.1039/b102926f","","","0.71073","MoKα","","","0.0302","","","0.0949","0.1107","","","","","","0.846","","","","has coordinates","179811","2020-10-21","18:00:00","" "7010722","25.788","0.005","8.499","0.002","18.441","0.004","90","","100.269","0.004","90","","3977","1.5","150","2","150","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C17 H17 B Mo N6 O S2 -","- C17 H17 B Mo N6 O S2 -","- C136 H136 B8 Mo8 N48 O8 S16 -","8","1","","Hughes, Andrew K.; Malget, John M.; Goeta, Andres E.","Synthesis of a rare tridentate dithiocarboxylato complex of molybdenum(IV)","Journal of the Chemical Society, Dalton Transactions","2001","","13","1927","","10.1039/b102947a","","","0.71073","MoKα","","0.0585","0.0459","","","0.0947","0.0988","","","","","","1.171","","","","has coordinates","179811","2020-10-21","18:00:00","" "7010723","11.71","0.004","13.228","0.004","28.161","0.008","90.576","0.016","95.76","0.02","112.525","0.019","4003","2","297","2","297","2","","","","","","","","7","P -1","-P 1","2","","","","- C14 H72 Cu4 N14 O68 P2 W17 -","- C14 H72 Cu4 N14 O68 P2 W17 -","- C28 H144 Cu8 N28 O136 P4 W34 -","2","1","","Yan, Bangbo; Xu, Yan; Bu, Xianhui; Goh, Ngoh K.; Chia, Lian S.; Stucky, Galen D.","Hydrothermal syntheses and structures of three one-dimensional heteropolytungstates formed by Dawson or Keggin cluster units","Journal of the Chemical Society, Dalton Transactions","2001","","13","2009","","10.1039/b103024h","","","0.71073","MoKα","","0.1117","0.0653","","","0.1425","0.1573","","","","","","1.044","","","","has coordinates","179811","2020-10-21","18:00:00","" "7010724","11.724","0.003","13.239","0.003","29.571","0.006","89.303","0.012","79.36","0.014","66.705","0.012","4133.8","1.7","300","2","300","2","","","","","","","","7","P -1","-P 1","2","","","","- C15 H75 Cu4.5 N15 O68 P2 W17 -","- C15 H75 Cu4.5 N15 O68 P2 W17 -","- C30 H150 Cu9 N30 O136 P4 W34 -","2","1","","Yan, Bangbo; Xu, Yan; Bu, Xianhui; Goh, Ngoh K.; Chia, Lian S.; Stucky, Galen D.","Hydrothermal syntheses and structures of three one-dimensional heteropolytungstates formed by Dawson or Keggin cluster units","Journal of the Chemical Society, Dalton Transactions","2001","","13","2009","","10.1039/b103024h","","","0.71073","MoKα","","0.127","0.0732","","","0.1534","0.1709","","","","","","1.041","","","","has coordinates","176453","2020-10-21","18:00:00","" "7010725","16.331","0.003","25.873","0.004","10.726","0.002","90","","118.902","0.014","90","","3967.6","1.3","293","2","293","2","","","","","","","","7","C 1 m 1","C -2y","8","","","","- C25 H27 Co1.5 N7.5 O21.5 P0.5 W5.5 -","- C25 H27 Co1.5 N7.5 O21.5 P0.5 W5.5 -","- C100 H108 Co6 N30 O86 P2 W22 -","4","1","","Yan, Bangbo; Xu, Yan; Bu, Xianhui; Goh, Ngoh K.; Chia, Lian S.; Stucky, Galen D.","Hydrothermal syntheses and structures of three one-dimensional heteropolytungstates formed by Dawson or Keggin cluster units","Journal of the Chemical Society, Dalton Transactions","2001","","13","2009","","10.1039/b103024h","","","0.71073","MoKα","","0.0513","0.0404","","","0.0763","0.0798","","","","","","1.046","","","","has coordinates","176453","2020-10-21","18:00:00","" "7010726","10.5585","0.0001","11.4729","0.0001","21.2337","0.0002","90","","98.7539","0.0005","90","","2542.22","0.04","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","cis(Cl)-[Ru(4,4'-TBubpy)(CO)2Cl2]","","","- C21 H26 Cl4 N2 O2 Ru -","- C21 H24 Cl4 N2 O2 Ru -","- C84 H96 Cl16 N8 O8 Ru4 -","4","1","","Toni-J. J. Kinnunen; Matti Haukka; Matti Nousiainen; Antti Patrikka; Tapani A. Pakkanen","Electron withdrawing and electron donating effects of 4,4'-bipyridine substituents on ruthenium mono(bipyridine) complexes","J. Chem. Soc., Dalton Trans.","2001","","18","2649","2654","10.1039/b103067c","","","0.71073","MoKα","","0.0418","0.038","","","0.0954","0.0985","","","","","","1.06","","","","has coordinates,has disorder","179811","2020-10-21","18:00:00","" "7010727","12.1131","0.0001","13.9583","0.0002","15.9437","0.0002","90","","90","","90","","2695.73","0.06","120","2","120","2","","","","","","","","6","P n m a","-P 2ac 2n","62","trans(Cl)-[Ru(4,4'-TBubpy)(CO)2Cl2]","","","- C21 H25 Cl5 N2 O2 Ru -","- C21 H24 Cl5 N2 O2 Ru -","- C84 H96 Cl20 N8 O8 Ru4 -","4","0.5","","Toni-J. J. Kinnunen; Matti Haukka; Matti Nousiainen; Antti Patrikka; Tapani A. Pakkanen","Electron withdrawing and electron donating effects of 4,4'-bipyridine substituents on ruthenium mono(bipyridine) complexes","J. Chem. Soc., Dalton Trans.","2001","","18","2649","2654","10.1039/b103067c","","","0.71073","MoKα","","0.0501","0.0461","","","0.1194","0.1242","","","","","","1.064","","","","has coordinates,has disorder","213973","2020-10-21","18:00:00","" "7010728","21.6703","0.0009","38.6235","0.0005","7.8367","0.0002","90","","90","","90","","6559.2","0.3","120","2","120","2","","","","","","","","6","F d d 2","F 2 -2d","43","trans(Cl)-[Ru(4,4'-NObpy)(CO)2Cl2]","","","- C12 H6 Cl2 N4 O6 Ru -","- C12 H6 Cl2 N4 O6 Ru -","- C192 H96 Cl32 N64 O96 Ru16 -","16","1","","Toni-J. J. Kinnunen; Matti Haukka; Matti Nousiainen; Antti Patrikka; Tapani A. Pakkanen","Electron withdrawing and electron donating effects of 4,4'-bipyridine substituents on ruthenium mono(bipyridine) complexes","J. Chem. Soc., Dalton Trans.","2001","","18","2649","2654","10.1039/b103067c","","","0.71073","MoKα","","0.0275","0.0242","","","0.0458","0.0467","","","","","","1.078","","","","has coordinates","213973","2020-10-21","18:00:00","" "7010729","12.9936","0.0003","26.5886","0.0007","12.1315","0.0003","90","","99.9532","0.0016","90","","4128.13","0.18","120","2","120","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","trans(Cl)-[Ru(4,4'-phosbpy)(CO)2Cl2]","","","- C12 H17 Cl2 N2 O11.5 P2 Ru -","- C12 H17 Cl2 N2 O11.5 P2 Ru -","- C96 H136 Cl16 N16 O92 P16 Ru8 -","8","2","","Toni-J. J. Kinnunen; Matti Haukka; Matti Nousiainen; Antti Patrikka; Tapani A. Pakkanen","Electron withdrawing and electron donating effects of 4,4'-bipyridine substituents on ruthenium mono(bipyridine) complexes","J. Chem. Soc., Dalton Trans.","2001","","18","2649","2654","10.1039/b103067c","","","0.71073","MoKα","","0.1034","0.0605","","","0.125","0.1443","","","","","","1.117","","","","has coordinates","176453","2020-10-21","18:00:00","" "7010730","9.8788","0.0004","9.9646","0.0005","10.6567","0.0005","72.402","0.002","74.689","0.003","69.284","0.002","920.65","0.08","120","2","120","2","","","","","","","","6","P -1","-P 1","2","[Ru(4,4'-diClbpy)(COOMe)(CO)Cl2]","","","- C14.5 H11 Cl3 N2 O4.5 Ru -","- C14.5 H11 Cl3 N2 O4.5 Ru -","- C29 H22 Cl6 N4 O9 Ru2 -","2","1","","Toni-J. J. Kinnunen; Matti Haukka; Matti Nousiainen; Antti Patrikka; Tapani A. Pakkanen","Electron withdrawing and electron donating effects of 4,4'-bipyridine substituents on ruthenium mono(bipyridine) complexes","J. Chem. Soc., Dalton Trans.","2001","","18","2649","2654","10.1039/b103067c","","","0.71073","MoKα","","0.0284","0.0257","","","0.0612","0.0624","","","","","","1.081","","","","has coordinates","176453","2020-10-21","18:00:00","" "7010731","9.7708","0.0004","15.1394","0.0006","12.6876","0.0005","90","","109.957","0.001","90","","1764.1","0.12","301","2","301","2","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","Chlorodimethyl(2-diphenylphosphinoethyl-C,O)stannane","","- C16 H20 Cl O P Sn -","- C16 H20 Cl O P Sn -","- C64 H80 Cl4 O4 P4 Sn4 -","4","1","","Harrison, William T. A.; Howie, R. Alan; Munro, Craig M.; Wardell, James L.","Monomer‒polymer forms of solid, unsolvated, 5-coordinate halodimethyl(2-diphenylphosphinylethyl)stannanes, XMe2SnCH2CH2P(O)Ph2 (X = Cl, Br or I). Effects of different recrystallisation media","Journal of the Chemical Society, Dalton Transactions","2001","","18","2593","","10.1039/b103107b","","","0.71073","MoKα","","0.0242","0.0195","","","0.0499","0.052","","","","","","1.03","","","","has coordinates","213973","2020-10-21","18:00:00","" "7010732","9.815","0.0004","15.2192","0.0007","12.8056","0.0006","90","","109.608","0.001","90","","1801.93","0.14","301","2","301","2","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","Bromodimethyl(2-diphenylphosphinoethyl-C,O)stannane","","- C16 H20 Br O P Sn -","- C16 H20 Br O P Sn -","- C64 H80 Br4 O4 P4 Sn4 -","4","1","","Harrison, William T. A.; Howie, R. Alan; Munro, Craig M.; Wardell, James L.","Monomer‒polymer forms of solid, unsolvated, 5-coordinate halodimethyl(2-diphenylphosphinylethyl)stannanes, XMe2SnCH2CH2P(O)Ph2 (X = Cl, Br or I). Effects of different recrystallisation media","Journal of the Chemical Society, Dalton Transactions","2001","","18","2593","","10.1039/b103107b","","","0.71073","MoKα","","0.0329","0.0239","","","0.0584","0.061","","","","","","1.032","","","","has coordinates","213973","2020-10-21","18:00:00","" "7010733","13.6367","0.0005","10.3643","0.0004","13.8351","0.0006","90","","95.749","0.001","90","","1945.55","0.13","301","2","301","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Iododimethyl(2-diphenylphosphinoethyl-C,O)stannane","","- C16 H20 I O P Sn -","- C16 H20 I O P Sn -","- C64 H80 I4 O4 P4 Sn4 -","4","1","","Harrison, William T. A.; Howie, R. Alan; Munro, Craig M.; Wardell, James L.","Monomer‒polymer forms of solid, unsolvated, 5-coordinate halodimethyl(2-diphenylphosphinylethyl)stannanes, XMe2SnCH2CH2P(O)Ph2 (X = Cl, Br or I). Effects of different recrystallisation media","Journal of the Chemical Society, Dalton Transactions","2001","","18","2593","","10.1039/b103107b","","","0.71073","MoKα","","0.0372","0.0293","","","0.0741","0.0796","","","","","","1.031","","","","has coordinates","213973","2020-10-21","18:00:00","" "7010734","13.5071","0.0012","10.2104","0.0009","13.8162","0.001","90","","95.722","0.002","90","","1895.9","0.3","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Iododimethy(2-diphenylphosphinoethyl-C,O)stannane","","- C16 H20 I O P Sn -","- C16 H20 I O P Sn -","- C64 H80 I4 O4 P4 Sn4 -","4","1","","Harrison, William T. A.; Howie, R. Alan; Munro, Craig M.; Wardell, James L.","Monomer‒polymer forms of solid, unsolvated, 5-coordinate halodimethyl(2-diphenylphosphinylethyl)stannanes, XMe2SnCH2CH2P(O)Ph2 (X = Cl, Br or I). Effects of different recrystallisation media","Journal of the Chemical Society, Dalton Transactions","2001","","18","2593","","10.1039/b103107b","","","0.71073","MoKα","","0.119","0.0503","","","0.1067","0.1366","","","","","","1.014","","","","has coordinates","213973","2020-10-21","18:00:00","" "7010735","10.9789","0.0004","12.3397","0.0005","15.0045","0.0006","86.385","0.001","82.308","0.001","78.483","0.001","1972.52","0.13","301","2","301","2","","","","","","","","7","P -1","-P 1","2","","Dimethyl(2-diphenylphosphinoethyl-C,O)(thiocyanato-N)stannane","","- C17 H20 N O P S Sn -","- C17 H20 N O P S Sn -","- C68 H80 N4 O4 P4 S4 Sn4 -","4","2","","Harrison, William T. A.; Howie, R. Alan; Munro, Craig M.; Wardell, James L.","Monomer‒polymer forms of solid, unsolvated, 5-coordinate halodimethyl(2-diphenylphosphinylethyl)stannanes, XMe2SnCH2CH2P(O)Ph2 (X = Cl, Br or I). Effects of different recrystallisation media","Journal of the Chemical Society, Dalton Transactions","2001","","18","2593","","10.1039/b103107b","","","0.71073","MoKα","","0.0368","0.0271","","","0.069","0.0743","","","","","","1.014","","","","has coordinates","213973","2020-10-21","18:00:00","" "7010736","10.9671","0.0004","11.814","0.0005","13.7591","0.0005","90","","90","","90","","1782.7","0.12","301","2","301","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","Catena[chlorodimethyl(2-diphenylphosphinoethyl)stannane]","","- C16 H20 Cl O P Sn -","- C16 H20 Cl O P Sn -","- C64 H80 Cl4 O4 P4 Sn4 -","4","1","","Harrison, William T. A.; Howie, R. Alan; Munro, Craig M.; Wardell, James L.","Monomer‒polymer forms of solid, unsolvated, 5-coordinate halodimethyl(2-diphenylphosphinylethyl)stannanes, XMe2SnCH2CH2P(O)Ph2 (X = Cl, Br or I). Effects of different recrystallisation media","Journal of the Chemical Society, Dalton Transactions","2001","","18","2593","","10.1039/b103107b","","","0.71073","MoKα","","0.0204","0.0183","","","0.0426","0.0432","","","","","","0.998","","","","has coordinates","213973","2020-10-21","18:00:00","" "7010737","10.8817","0.0005","11.8135","0.0005","13.9015","0.0005","90","","90","","90","","1787.05","0.13","301","2","301","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","Catena[bromodimethyl(2-diphenylphosphinoethyl)stannane]","","- C16 H20 Br O P Sn -","- C16 H20 Br O P Sn -","- C64 H80 Br4 O4 P4 Sn4 -","4","1","","Harrison, William T. A.; Howie, R. Alan; Munro, Craig M.; Wardell, James L.","Monomer‒polymer forms of solid, unsolvated, 5-coordinate halodimethyl(2-diphenylphosphinylethyl)stannanes, XMe2SnCH2CH2P(O)Ph2 (X = Cl, Br or I). Effects of different recrystallisation media","Journal of the Chemical Society, Dalton Transactions","2001","","18","2593","","10.1039/b103107b","","","0.71073","MoKα","","0.0276","0.0222","","","0.0465","0.0478","","","","","","0.957","","","","has coordinates","213973","2020-10-21","18:00:00","" "7010738","10.784","0.0004","11.9471","0.0005","14.238","0.0006","90","","90","","90","","1834.39","0.13","301","2","301","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","Catena[iododimethyl(2-diphenylphosphinoethyl)stannane]","","- C16 H20 I O P Sn -","- C16 H20 I O P Sn -","- C64 H80 I4 O4 P4 Sn4 -","4","1","","Harrison, William T. A.; Howie, R. Alan; Munro, Craig M.; Wardell, James L.","Monomer‒polymer forms of solid, unsolvated, 5-coordinate halodimethyl(2-diphenylphosphinylethyl)stannanes, XMe2SnCH2CH2P(O)Ph2 (X = Cl, Br or I). Effects of different recrystallisation media","Journal of the Chemical Society, Dalton Transactions","2001","","18","2593","","10.1039/b103107b","","","0.71073","MoKα","","0.0202","0.0185","","","0.043","0.0436","","","","","","1.014","","","","has coordinates","213973","2020-10-21","18:00:00","" "7010739","18.6594","0.0006","18.1992","0.0006","14.8395","0.0004","90","","111.396","0.002","90","","4692","0.3","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Bis[2-(pyrazol-1-yl)-6-(3-{2,4,6-trimethylphenyl}pyrazol-1-yl)pyridine]- copper(II) diperchlorate dinitromethane solvate, alpha modification","","- C42 H44 Cl2 Cu N12 O12 -","- C42 H44 Cl2 Cu N12 O12 -","- C168 H176 Cl8 Cu4 N48 O48 -","4","1","","Solanki, Nayan K.; Leech, Michael A.; McInnes, Eric J. L.; Zhao, Jing P.; Mabbs, Frank E.; Feeder, Neil; Howard, Judith A. K.; Davies, John E.; Rawson, Jeremy M.; Halcrow, Malcolm A.","The effects of distal ligand substitution on the copper(II)/bis-(2,6-dipyrazol-1-ylpyridine) centre†","Journal of the Chemical Society, Dalton Transactions","2001","","14","2083","","10.1039/b103142m","","","0.71069","MoKα","","0.0689","0.0469","","","0.1116","0.1228","","","","","","1.025","","","","has coordinates,has disorder","179811","2020-10-21","18:00:00","" "7010740","18.598","0.0013","18.2528","0.0012","14.6183","0.001","90","","111.228","0.001","90","","4625.7","0.5","30","2","30","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Bis[2-(pyrazol-1-yl)-6-(3-{2,4,6-trimethylphenyl}pyrazol-1-yl)pyridine]- copper(II) diperchlorate dinitromethane solvate, alpha modification","","- C42 H44 Cl2 Cu N12 O12 -","- C42 H44 Cl2 Cu N12 O12 -","- C168 H176 Cl8 Cu4 N48 O48 -","4","1","","Solanki, Nayan K.; Leech, Michael A.; McInnes, Eric J. L.; Zhao, Jing P.; Mabbs, Frank E.; Feeder, Neil; Howard, Judith A. K.; Davies, John E.; Rawson, Jeremy M.; Halcrow, Malcolm A.","The effects of distal ligand substitution on the copper(II)/bis-(2,6-dipyrazol-1-ylpyridine) centre†","Journal of the Chemical Society, Dalton Transactions","2001","","14","2083","","10.1039/b103142m","","","0.71073","MoKα","","0.0333","0.0302","","","0.0812","0.0837","","","","","","1.032","","","","has coordinates","179811","2020-10-21","18:00:00","" "7010741","40.78","0.006","18.023","0.003","13.673","0.003","90","","90","","90","","10049","3","180","2","180","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","Bis[2-(pyrazol-1-yl)-6-(3-{2,4,6-trimethylphenyl}pyrazol-1-yl)pyridine]- copper(II) diperchlorate nitromethane solvate, beta modification","","- C42 H44 Cl2 Cu N12 O11.88 -","- C42 H44 Cl2 Cu N12 O11.875 -","- C336 H352 Cl16 Cu8 N96 O95 -","8","1","","Solanki, Nayan K.; Leech, Michael A.; McInnes, Eric J. L.; Zhao, Jing P.; Mabbs, Frank E.; Feeder, Neil; Howard, Judith A. K.; Davies, John E.; Rawson, Jeremy M.; Halcrow, Malcolm A.","The effects of distal ligand substitution on the copper(II)/bis-(2,6-dipyrazol-1-ylpyridine) centre†","Journal of the Chemical Society, Dalton Transactions","2001","","14","2083","","10.1039/b103142m","","","0.71073","MoKα","","0.1394","0.0887","","","0.2217","0.2736","","","","","","1.049","","","","has coordinates,has disorder","179811","2020-10-21","18:00:00","" "7010742","12.0031","0.0015","19.684","0.002","24.967","0.003","90","","99.955","0.002","90","","5810.1","1.2","31","2","31","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Bis[2,6-bis(3-{2,4,6-trimethylphenyl}pyrazol-1-yl)pyridine]copper(II) diperchlorate dinitromethane solvate","","- C60 H64 Cl2 Cu N12 O12 -","- C60 H64 Cl2 Cu N12 O12 -","- C240 H256 Cl8 Cu4 N48 O48 -","4","1","","Solanki, Nayan K.; Leech, Michael A.; McInnes, Eric J. L.; Zhao, Jing P.; Mabbs, Frank E.; Feeder, Neil; Howard, Judith A. K.; Davies, John E.; Rawson, Jeremy M.; Halcrow, Malcolm A.","The effects of distal ligand substitution on the copper(II)/bis-(2,6-dipyrazol-1-ylpyridine) centre†","Journal of the Chemical Society, Dalton Transactions","2001","","14","2083","","10.1039/b103142m","","","0.71073","MoKα","","0.0414","0.032","","","0.08","0.0847","","","","","","1.018","","","","has coordinates","179811","2020-10-21","18:00:00","" "7010743","13.936","0.005","14.757","0.005","15.72","0.005","90","","106.499","0.006","90","","3099.8","1.8","90","2","90","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","NacNacLi.THF","","","- C33 H49 Li N2 O -","- C33 H49 Li N2 O -","- C132 H196 Li4 N8 O4 -","4","0.5","","Stender, Matthias; Wright, Robert J.; Eichler, Barrett E.; Prust, Jörg; Olmstead, Marilyn M.; Roesky, Herbert W.; Power, Philip P.","The synthesis and structure of lithium derivatives of the sterically encumbered β-diketiminate ligand [{(2,6-Pri2H3C6)N(CH3)C}2CH]‒, and a modified synthesis of the aminoimine precursor","Journal of the Chemical Society, Dalton Transactions","2001","","23","3465","","10.1039/b103149j","","","0.71073","MoKα","","0.1356","0.075","","","0.1772","0.2159","","","","","","1.013","","","","has coordinates","213973","2020-10-21","18:00:00","" "7010744","12.4708","0.0014","14.0455","0.0016","15.1235","0.0017","90.765","0.003","91.189","0.003","102.979","0.003","2580.3","0.5","90","2","90","2","","","","","","","","4","P -1","-P 1","2","(NacNacLi)2","","","- C29 H39.5 Li N2 -","- C29 H39.5 Li N2 -","- C116 H158 Li4 N8 -","4","2","","Stender, Matthias; Wright, Robert J.; Eichler, Barrett E.; Prust, Jörg; Olmstead, Marilyn M.; Roesky, Herbert W.; Power, Philip P.","The synthesis and structure of lithium derivatives of the sterically encumbered β-diketiminate ligand [{(2,6-Pri2H3C6)N(CH3)C}2CH]‒, and a modified synthesis of the aminoimine precursor","Journal of the Chemical Society, Dalton Transactions","2001","","23","3465","","10.1039/b103149j","","","0.71073","MoKα","","0.1546","0.0769","","","0.1956","0.2406","","","","","","1.032","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00","" "7010745","15.053","0.005","17.944","0.006","20.034","0.005","90","","97.4","0.02","90","","5366","3","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","NacNacH","","","- C29 H42 N2 -","- C29 H42 N2 -","- C232 H336 N16 -","8","2","","Stender, Matthias; Wright, Robert J.; Eichler, Barrett E.; Prust, Jörg; Olmstead, Marilyn M.; Roesky, Herbert W.; Power, Philip P.","The synthesis and structure of lithium derivatives of the sterically encumbered β-diketiminate ligand [{(2,6-Pri2H3C6)N(CH3)C}2CH]‒, and a modified synthesis of the aminoimine precursor","Journal of the Chemical Society, Dalton Transactions","2001","","23","3465","","10.1039/b103149j","","","1.54178","CuKα","","0.0902","0.0628","","","0.1489","0.1659","","","","","","1.04","","","","has coordinates","213973","2020-10-21","18:00:00","" "7010746","32.8393","0.0011","16.7836","0.0006","33.375","0.0011","90","","112.275","0.001","90","","17022.3","1","90","2","90","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","[NacNacLi]12*hexane","","","- C354 H492 Li12 N24 -","- C354 H490 Li12 N24 -","- C708 H980 Li24 N48 -","2","0.5","","Stender, Matthias; Wright, Robert J.; Eichler, Barrett E.; Prust, Jörg; Olmstead, Marilyn M.; Roesky, Herbert W.; Power, Philip P.","The synthesis and structure of lithium derivatives of the sterically encumbered β-diketiminate ligand [{(2,6-Pri2H3C6)N(CH3)C}2CH]‒, and a modified synthesis of the aminoimine precursor","Journal of the Chemical Society, Dalton Transactions","2001","","23","3465","","10.1039/b103149j","","","0.71073","MoKα","","0.1708","0.0898","","","0.2448","0.2932","","","","","","0.945","","","","has coordinates,has disorder","213973","2020-10-21","18:00:00","" "7010747","47.323","0.006","10.1697","0.0009","19.9329","0.0012","90","","94.366","0.007","90","","9565.1","1.6","140","2","140","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","NacNacLi(Et2O)","","","- C33 H51 Li N2 O -","- C33 H51 Li N2 O -","- C396 H612 Li12 N24 O12 -","12","1.5","","Stender, Matthias; Wright, Robert J.; Eichler, Barrett E.; Prust, Jörg; Olmstead, Marilyn M.; Roesky, Herbert W.; Power, Philip P.","The synthesis and structure of lithium derivatives of the sterically encumbered β-diketiminate ligand [{(2,6-Pri2H3C6)N(CH3)C}2CH]‒, and a modified synthesis of the aminoimine precursor","Journal of the Chemical Society, Dalton Transactions","2001","","23","3465","","10.1039/b103149j","","","1.54178","CuKα","","0.0601","0.0474","","","0.1213","0.1313","","","","","","0.999","","","","has coordinates","179811","2020-10-21","18:00:00","" "7010748","18.0761","0.0002","21.1395","0.0002","19.3919","0.0002","90","","97.9872","0.0002","90","","7338.14","0.13","173","2","173","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C34 H38 Cu2 F6 N5 O4 P -","- C34 H38 Cu2 F6 N5 O4 P -","- C272 H304 Cu16 F48 N40 O32 P8 -","8","2","","Incarvito, Christopher; Lam, Matthew; Rhatigan, Brian; Rheingold, Arnold L.; Qin, C. Jin; Gavrilova, Anna L.; Bosnich, B.","Bimetallic reactivity. Preparations, properties and structures of complexes formed by unsymmetrical binucleating ligands bearing 4- and 6-coordinate sites supported by alkoxide bridges","Journal of the Chemical Society, Dalton Transactions","2001","","23","3478","","10.1039/b103164n","","","0.71073","MoKα","","0.0593","0.0467","","","0.1549","0.1718","","","","","","1.356","","","","has coordinates","179811","2020-10-21","18:00:00","" "7010749","11.7811","0.0002","16.6703","0.0003","19.1074","0.0002","96.1665","0.0002","96.5247","0.0006","96.2454","0.0005","3678.8","0.1","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C66 H75 Cu4 F18 N10 O7 P3 -","- C66 H73 Cu4 F18 N10 O7 P3 -","- C132 H146 Cu8 F36 N20 O14 P6 -","2","1","","Incarvito, Christopher; Lam, Matthew; Rhatigan, Brian; Rheingold, Arnold L.; Qin, C. Jin; Gavrilova, Anna L.; Bosnich, B.","Bimetallic reactivity. Preparations, properties and structures of complexes formed by unsymmetrical binucleating ligands bearing 4- and 6-coordinate sites supported by alkoxide bridges","Journal of the Chemical Society, Dalton Transactions","2001","","23","3478","","10.1039/b103164n","","","0.71073","MoKα","","0.1413","0.107","","","0.2743","0.2988","","","","","","2.024","","","","has coordinates","179811","2020-10-21","18:00:00","" "7010750","11.5418","0.0006","13.7097","0.0007","14.0734","0.0008","69.5232","0.0011","83.0061","0.0013","77.545","0.0011","2034.48","0.19","223","2","223","2","","","","","","","","7","P -1","-P 1","2","","","","- C66 H80 Cu4 F24 N14 O6 P4 -","- C66 H80 Cu4 F24 N14 O6 P4 -","- C66 H80 Cu4 F24 N14 O6 P4 -","1","0.5","","Incarvito, Christopher; Lam, Matthew; Rhatigan, Brian; Rheingold, Arnold L.; Qin, C. Jin; Gavrilova, Anna L.; Bosnich, B.","Bimetallic reactivity. Preparations, properties and structures of complexes formed by unsymmetrical binucleating ligands bearing 4- and 6-coordinate sites supported by alkoxide bridges","Journal of the Chemical Society, Dalton Transactions","2001","","23","3478","","10.1039/b103164n","","","0.71073","MoKα","","0.116","0.0727","","","0.1751","0.2101","","","","","","1.308","","","","has coordinates","179811","2020-10-21","18:00:00","" "7010751","10.3158","0.0002","12.0891","0.0002","17.6124","0.0002","74.0125","0.0002","81.8911","0.0005","71.7472","0.0007","2001.61","0.06","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C74 H92 Cu4 F12 N10 O10 P2 -","- C74 H92 Cu4 F12 N10 O10 P2 -","- C74 H92 Cu4 F12 N10 O10 P2 -","1","0.5","","Incarvito, Christopher; Lam, Matthew; Rhatigan, Brian; Rheingold, Arnold L.; Qin, C. Jin; Gavrilova, Anna L.; Bosnich, B.","Bimetallic reactivity. Preparations, properties and structures of complexes formed by unsymmetrical binucleating ligands bearing 4- and 6-coordinate sites supported by alkoxide bridges","Journal of the Chemical Society, Dalton Transactions","2001","","23","3478","","10.1039/b103164n","","","0.71073","MoKα","","0.0797","0.0637","","","0.1922","0.2148","","","","","","1.618","","","","has coordinates","179811","2020-10-21","18:00:00","" "7010752","12.1741","0.0002","13.5908","0.0002","16.5007","0.0002","79.2919","0.0008","68.9785","0.0003","79.8058","0.0008","2485.87","0.06","223","2","223","2","","","","","","","","7","P -1","-P 1","2","","","","- C43 H63 F6 Mn2 N5 O8 P -","- C43 H61 F6 Mn2 N5 O8 P -","- C86 H122 F12 Mn4 N10 O16 P2 -","2","1","","Incarvito, Christopher; Lam, Matthew; Rhatigan, Brian; Rheingold, Arnold L.; Qin, C. Jin; Gavrilova, Anna L.; Bosnich, B.","Bimetallic reactivity. Preparations, properties and structures of complexes formed by unsymmetrical binucleating ligands bearing 4- and 6-coordinate sites supported by alkoxide bridges","Journal of the Chemical Society, Dalton Transactions","2001","","23","3478","","10.1039/b103164n","","","0.71073","MoKα","","0.1035","0.0955","","","0.3149","0.3224","","","","","","2.723","","","","has coordinates","179811","2020-10-21","18:00:00","" "7010755","15.9459","0.0005","22.0822","0.0009","12.7695","0.0005","90.15","0.002","90.138","0.002","69.2587","0.0007","4205","0.3","103.2","","","","","","","","","","","7","P -1","-P 1","2","","","","- C40 H48 Cl2 N4 Na O9 Ru2 -","- C40 Cl2 N4 Na O10 Ru2 -","- C160 Cl8 N16 Na4 O40 Ru8 -","4","2","","Miyasaka, Hitoshi; Kachi-Terajima, Chihiro; Ishii, Tomohiko; Yamashita, Masahiro","A new metal‒metal bonded diruthenium(II,III) compound bridged by the dianionic tridentate ligand N-(2-pyridyl)-2-oxy-5-chlorobenzylaminate (5-Clsalpy2−)","Journal of the Chemical Society, Dalton Transactions","2001","","13","1929","","10.1039/b103186b","","","0.7107","MoKα","","","0.044","","","","0.112","","","","","","1.635","","","","has coordinates","176453","2020-10-21","18:00:00","" "7010756","9.5045","0.0012","16.499","0.002","18.014","0.002","90","","90","","90","","2824.9","0.6","160","2","160","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C19 H18 O9 Ru3 S Si2 -","- C19 H18 O9 Ru3 S Si2 -","- C76 H72 O36 Ru12 S4 Si8 -","4","1","","Alcalde, M. I.; Carty, A. J.; Chi, Y.; Delgado, E.; Donnadieu, B.; Hernández, E.; Dallmann, K.; Sánchez-Nieves, J.","Syntheses of new ruthenium clusters containing sulfur, ynyl and diynyl ligands. Crystal structures of [Ru3(CO)9(µ-η2-SCCSiMe3)(µ3-η2-CCSiMe3)], [Ru4(CO)12(µ4-S)(µ-η2-CCSiMe3)2] and [Ru4(CO)9(µ-CO)2(µ4-S)(µ4-η2-C(SiMe3)C(CCSiMe3)]","Journal of the Chemical Society, Dalton Transactions","2001","","17","2502","","10.1039/b103202j","","","0.71073","MoKα","","0.0169","0.0166","","","0.0424","0.0426","","","","","","1.08","","","","has coordinates","179811","2020-10-21","18:00:00","" "7010757","17.1122","0.0019","9.9572","0.0009","17.7322","0.0018","90","","101.522","0.012","90","","2960.5","0.5","160","2","160","2","","","","","","","","6","P 1 2/c 1","-P 2yc","13","","","","- C21 H18 O11 Ru4 S Si2 -","- C21 H18 O11 Ru4 S Si2 -","- C84 H72 O44 Ru16 S4 Si8 -","4","1","","Alcalde, M. I.; Carty, A. J.; Chi, Y.; Delgado, E.; Donnadieu, B.; Hernández, E.; Dallmann, K.; Sánchez-Nieves, J.","Syntheses of new ruthenium clusters containing sulfur, ynyl and diynyl ligands. Crystal structures of [Ru3(CO)9(µ-η2-SCCSiMe3)(µ3-η2-CCSiMe3)], [Ru4(CO)12(µ4-S)(µ-η2-CCSiMe3)2] and [Ru4(CO)9(µ-CO)2(µ4-S)(µ4-η2-C(SiMe3)C(CCSiMe3)]","Journal of the Chemical Society, Dalton Transactions","2001","","17","2502","","10.1039/b103202j","","","0.71073","MoKα","","0.0246","0.0198","","","0.0472","0.0502","","","","","","1.015","","","","has coordinates","179811","2020-10-21","18:00:00","" "7010758","9.8445","0.0009","12.8209","0.0012","27.638","0.003","99.767","0.012","95.019","0.011","97.193","0.011","3389.6","0.6","180","2","","","","","","","","","","6","P -1","-P 1","2","","","","- C22 H18 O12 Ru4 S Si2 -","- C22 H18 O12 Ru4 S Si2 -","- C88 H72 O48 Ru16 S4 Si8 -","4","2","","Alcalde, M. I.; Carty, A. J.; Chi, Y.; Delgado, E.; Donnadieu, B.; Hernández, E.; Dallmann, K.; Sánchez-Nieves, J.","Syntheses of new ruthenium clusters containing sulfur, ynyl and diynyl ligands. Crystal structures of [Ru3(CO)9(µ-η2-SCCSiMe3)(µ3-η2-CCSiMe3)], [Ru4(CO)12(µ4-S)(µ-η2-CCSiMe3)2] and [Ru4(CO)9(µ-CO)2(µ4-S)(µ4-η2-C(SiMe3)C(CCSiMe3)]","Journal of the Chemical Society, Dalton Transactions","2001","","17","2502","","10.1039/b103202j","","","0.71073","MoKα","","0.0464","0.0395","","","0.0968","0.1021","","","","","","1.009","","","","has coordinates","179811","2020-10-21","18:00:00","" "7010759","6.7183","0.0017","7.529","0.0019","8.789","0.002","94.93","0.04","107.6","0.03","112.43","0.04","381.3","0.2","150","2","150","2","","","","","","","","4","P -1","-P 1","2","1,2-di-butyltetrachlorodisilane","","","- C8 H18 Cl4 Si2 -","- C8 H18 Cl4 Si2 -","- C8 H18 Cl4 Si2 -","1","0.5","","Hinchley, Sarah L.; Smart, Bruce A.; Morrison, Carole; Robertson, Heather E.; Rankin, David W. H.; Coxall, Robert A.; Parsons, Simon; Zink, Robert; Siegl, Harald; Hassler, Karl; Mawhorter, Richard","Molecular structure of ButCl2SiSiCl2But in the gas phase by electron diffraction and ab initio calculations. Molecular structures of the compounds ButX2SiSiX2But (X = Cl, Br or I) by vibrational spectroscopy, X-ray crystallography and ab initio calculations†","Journal of the Chemical Society, Dalton Transactions","2001","","19","2916","","10.1039/b103315h","","","0.71073","MoKα","","0.0411","0.038","","","0.0925","0.0933","","","","","","0.944","","","","has coordinates","179811","2020-10-21","18:00:00","" "7010760","7.072","0.001","7.637","0.002","8.827","0.002","96.49","0.03","108.36","0.03","114.02","0.03","397","0.2","293","2","293","2","","","","","","","","4","P -1","-P 1","2","1,2-di-butyltetrabromodisilane","","","- C8 H18 Br4 Si2 -","- C8 H18 Br4 Si2 -","- C8 H18 Br4 Si2 -","1","0.5","","Hinchley, Sarah L.; Smart, Bruce A.; Morrison, Carole; Robertson, Heather E.; Rankin, David W. H.; Coxall, Robert A.; Parsons, Simon; Zink, Robert; Siegl, Harald; Hassler, Karl; Mawhorter, Richard","Molecular structure of ButCl2SiSiCl2But in the gas phase by electron diffraction and ab initio calculations. Molecular structures of the compounds ButX2SiSiX2But (X = Cl, Br or I) by vibrational spectroscopy, X-ray crystallography and ab initio calculations†","Journal of the Chemical Society, Dalton Transactions","2001","","19","2916","","10.1039/b103315h","","","0.71073","MoKα","","0.0924","0.0704","","0.1902","0.1696","","","","1.303","1.3","1.3","","","","","has coordinates","179811","2020-10-21","18:00:00","" "7010761","7.639","0.002","8.033","0.002","8.854","0.002","100.11","0.03","106.83","0.03","114.77","0.03","443.8","0.3","293","2","293","2","","","","","","","","4","P -1","-P 1","2","1,2-di-butyltetraiododisilane","","","- C8 H18 I4 Si2 -","- C8 H18 I4 Si2 -","- C8 H18 I4 Si2 -","1","0.5","","Hinchley, Sarah L.; Smart, Bruce A.; Morrison, Carole; Robertson, Heather E.; Rankin, David W. H.; Coxall, Robert A.; Parsons, Simon; Zink, Robert; Siegl, Harald; Hassler, Karl; Mawhorter, Richard","Molecular structure of ButCl2SiSiCl2But in the gas phase by electron diffraction and ab initio calculations. Molecular structures of the compounds ButX2SiSiX2But (X = Cl, Br or I) by vibrational spectroscopy, X-ray crystallography and ab initio calculations†","Journal of the Chemical Society, Dalton Transactions","2001","","19","2916","","10.1039/b103315h","","","0.71073","MoKα","","0.0661","0.0618","","","0.1669","0.1718","","","","","","1.171","","","","has coordinates","213973","2020-10-21","18:00:00","" "7010762","32.0941","0.0015","9.6173","0.0008","27.8404","0.0013","90","","112.655","0.004","90","","7930.1","0.9","293","2","293","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C80 H112 Ce N16 -","- C80 H112 Ce N16 -","- C320 H448 Ce4 N64 -","4","1","","Garrido Montalban, Antonio; Michel, Sarah L. J.; Baum, Sven M.; Vesper, Benjamin J.; White, Andrew J. P.; Williams, David J.; Barrett, Anthony G. M.; Hoffman, Brian M.","Lanthanide porphyrazine sandwich complexes: synthetic, structural and spectroscopic investigations","Journal of the Chemical Society, Dalton Transactions","2001","","22","3269","","10.1039/b103346h","","","1.54178","CuKα","","0.0676","0.0526","","0.1398","0.1272","","","","1.051","1.06","1.06","","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00","" "7010763","8.758","0.011","17.54","0.023","18.56","0.025","90","","90","","90","","2851","6","293","2","293","2","","","","","","","","5","P 2 21 21","P 2bc 2","18","","","","- C44 H80 Mo4 N4 O18 -","- C44 H80 Mo4 N4 O18 -","- C88 H160 Mo8 N8 O36 -","2","0.5","","Susana M. O. Quintal; Helena I. S. Nogueira; Helena M. Carapuça; Vitor Félix; Michael G. B. Drew","Polynuclear molybdenum and tungsten complexes of 3-hydroxypicolinic acid and the crystal structures of (nBu4N)2[Mo4O12(picOH)2] and (nHex4N)2[Mo2O6(picOH)2]","J. Chem. Soc., Dalton Trans.","2001","","21","3196","3201","10.1039/b103348b","","","0.71073","MoKα","","0.0748","0.0481","","","0.114","0.1291","","","","","","1.129","","","","has coordinates","179811","2020-10-21","18:00:00","" "7010764","15.233","0.021","15.273","0.023","16.196","0.027","90","","115.7","0.01","90","","3395","9","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C60 H112 Mo2 N4 O12 -","- C60 H112 Mo2 N4 O12 -","- C120 H224 Mo4 N8 O24 -","2","0.5","","Susana M. O. Quintal; Helena I. S. Nogueira; Helena M. Carapuça; Vitor Félix; Michael G. B. Drew","Polynuclear molybdenum and tungsten complexes of 3-hydroxypicolinic acid and the crystal structures of (nBu4N)2[Mo4O12(picOH)2] and (nHex4N)2[Mo2O6(picOH)2]","J. Chem. Soc., Dalton Trans.","2001","","21","3196","3201","10.1039/b103348b","","","0.71073","MoKα","","0.0912","0.0546","","","0.1416","0.1634","","","","","","1.125","","","","has coordinates","179811","2020-10-21","18:00:00","" "7010765","7.614","0.002","18.192","0.004","13.584","0.003","90","","98.89","0.03","90","","1859","0.8","100","0.2","100","0.2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C9 H31 B9 N3 Ta -","- C9 H31 B9 N3 Ta -","- C36 H124 B36 N12 Ta4 -","4","1","","Fox, Mark A.; Howard, Judith A. K.; Hughes, Andrew K.; Malget, John M.; Yufit, Dimitrii S.","Synthesis of isomeric B-methylated tantalum carboranes, (Me2N)3TaC2B9H10Me†","Journal of the Chemical Society, Dalton Transactions","2001","","15","2263","","10.1039/b103353k","","","0.71073","MoKα","","0.023","0.022","","","0.0507","0.051","","","","","","0.982","","","","has coordinates","213973","2020-10-21","18:00:00","" "7010766","11.572","0.001","15.864","0.001","13.054","0.001","90","","91.508","0.007","90","","2395.6","0.3","301.2","","301.2","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C20 H12 F3 N4 O6 Re S2 -","- C20 H12 F3 N4 O6 Re S2 -","- C80 H48 F12 N16 O24 Re4 S8 -","4","1","","Kam-Wing Lo, Kenneth; Chun-Ming Ng, Dominic; Hui, Wai-Ki; Cheung, Kung-Kai","Luminescent rhenium(i) polypyridine complexes with an isothiocyanate moiety‒versatile labelling reagents for biomolecules","Journal of the Chemical Society, Dalton Transactions","2001","","18","2634","","10.1039/b103371a","","","0.7107","MoKalpha","","","0.0355","","","0.0537","","","","","2.205","2.205","","","","","has coordinates","176453","2020-10-21","18:00:00","" "7010767","9.466","0.003","9.48","0.003","11.519","0.002","75.88","0.018","81.362","0.018","80.03","0.02","981","0.5","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C18 H20 Cl2 Cu N4 O S -","- C18 H20 Cl2 Cu N4 O S -","- C36 H40 Cl4 Cu2 N8 O2 S2 -","2","1","","Vaidyanathan, Mathrubootham; Balamurugan, Ramalingam; Sivagnanam, Usha; Palaniandavar, Mallayan","Synthesis, structure, spectra and redox of Cu(ii) complexes of chelating bis(benzimidazole)—thioether ligands as models for electron transfer blue copper proteins","Journal of the Chemical Society, Dalton Transactions","2001","","23","3498","","10.1039/b103511h","","","0.7107","MoKα","","0.0555","0.0487","","","0.1474","0.1533","","","","","","1.135","","","","has coordinates","179811","2020-10-21","18:00:00","" "7010768","10.9367","0.0005","15.628","0.0006","17.6216","0.0008","90","","100.969","0.0015","90","","2956.8","0.2","293","2","293","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C23 H28 Cl2 Cu N6 O8 S2 -","- C23 H28 Cl2 Cu N6 O8 S2 -","- C92 H112 Cl8 Cu4 N24 O32 S8 -","4","1","","Vaidyanathan, Mathrubootham; Balamurugan, Ramalingam; Sivagnanam, Usha; Palaniandavar, Mallayan","Synthesis, structure, spectra and redox of Cu(ii) complexes of chelating bis(benzimidazole)—thioether ligands as models for electron transfer blue copper proteins","Journal of the Chemical Society, Dalton Transactions","2001","","23","3498","","10.1039/b103511h","","","0.71073","MoKα","","0.1334","0.068","","","0.1688","0.2132","","","","","","0.984","","","","has coordinates","179811","2020-10-21","18:00:00","" "7010769","6.883","0.0003","20.9508","0.0013","7.5354","0.0005","90","","92.868","0.001","90","","1085.28","0.11","303","2","303","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","lead succinate","Lead succinate","","- C4 H4 O4 Pb -","- C4 H4 O4 Pb -","- C32 H32 O32 Pb8 -","8","2","","Foreman, Mark R. St J.; Plater, M. John; Skakle, Janet M. S.","Synthesis and characterisation of polymeric and oligomeric lead(II) carboxylates","Journal of the Chemical Society, Dalton Transactions","2001","","12","1897","","10.1039/b103519n","","","0.71073","MoKα","","0.0523","0.0381","","","0.1029","0.1081","","","","","","1.137","","","","has coordinates","211332","2020-10-21","18:00:00","" "7010770","16.888","0.0007","17.5052","0.0007","17.0201","0.0007","90","","93.845","0.001","90","","5020.3","0.4","303","2","303","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Pb-Ph-","","- C56 H36 O13 Pb3 -","- C56 H36 O13 Pb3 -","- C224 H144 O52 Pb12 -","4","1","","Foreman, Mark R. St J.; Plater, M. John; Skakle, Janet M. S.","Synthesis and characterisation of polymeric and oligomeric lead(II) carboxylates","Journal of the Chemical Society, Dalton Transactions","2001","","12","1897","","10.1039/b103519n","","","0.71073","MoKα","","0.079","0.0362","","","0.0638","0.0742","","","","","","0.859","","","","has coordinates","211196","2020-10-21","18:00:00","" "7010771","11.2919","0.0012","11.971","0.0014","16.0512","0.0016","70.171","0.004","75.406","0.005","74.713","0.002","1937","0.4","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C12 Cl18 O15 Pb3 -","- C12 Cl18 O15 Pb3 -","- C24 Cl36 O30 Pb6 -","2","1","","Foreman, Mark R. St J.; Plater, M. John; Skakle, Janet M. S.","Synthesis and characterisation of polymeric and oligomeric lead(II) carboxylates","Journal of the Chemical Society, Dalton Transactions","2001","","12","1897","","10.1039/b103519n","","","0.71073","MoKα","","0.1409","0.0657","","","0.1474","0.1734","","","","","","0.882","","","","has coordinates","213973","2020-10-21","18:00:00","" "7010772","12.5336","0.0008","7.1979","0.0005","18.7487","0.0012","90","","102.772","0.001","90","","1649.58","0.19","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C14 H10 N2 O9 Pb -","- C14 H10 N2 O9 Pb -","- C56 H40 N8 O36 Pb4 -","4","1","","Foreman, Mark R. St J.; Plater, M. John; Skakle, Janet M. S.","Synthesis and characterisation of polymeric and oligomeric lead(II) carboxylates","Journal of the Chemical Society, Dalton Transactions","2001","","12","1897","","10.1039/b103519n","","","0.71073","MoKα","","0.1113","0.0445","","","0.0623","0.0738","","","","","","0.848","","","","has coordinates","211332","2020-10-21","18:00:00","" "7010773","7.2864","0.0003","11.0392","0.0005","23.201","0.0011","90","","90","","90","","1866.2","0.14","298","2","298","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C14 H8 N4 O13 Pb -","- C14 H8 N4 O13 Pb -","- C56 H32 N16 O52 Pb4 -","4","1","","Foreman, Mark R. St J.; Plater, M. John; Skakle, Janet M. S.","Synthesis and characterisation of polymeric and oligomeric lead(II) carboxylates","Journal of the Chemical Society, Dalton Transactions","2001","","12","1897","","10.1039/b103519n","","","0.71073","MoKα","","0.0347","0.0251","","","0.0418","0.0434","","","","","","0.929","","","","has coordinates","213973","2020-10-21","18:00:00","" "7010774","15.6242","0.0002","15.6242","0.0002","20.2437","0.0005","90","","90","","120","","4279.73","0.13","133","2","133","2","","","","","","","","5","P 3 1 c","P 3 -2c","159","","","","- C42 H95 O18 P9 Pd16 -","- C42.019 H95.058 O18 P9 Pd16 -","- C84.038 H190.116 O36 P18 Pd32 -","2","0.333333","","Tran, Nguyet T.; Kawano, Masaki; Dahl, Lawrence F.","High-nuclearity palladium carbonyl trimethylphosphine clusters containing unprecedented face-condensed icosahedral-based transition-metal core geometries: proposed growth patterns from a centered Pd13 icosahedron†","Journal of the Chemical Society, Dalton Transactions","2001","","19","2731","","10.1039/b103547a","","","0.71073","MoKα","","0.0333","0.0321","","","0.0841","0.086","","","","","","1.18","","","","has coordinates,has disorder","213973","2020-10-21","18:00:00","" "7010775","16.4877","0.0002","16.4877","0.0002","38.2484","0.0004","90","","90","","120","","9004.59","0.18","133","2","133","2","","","","","","","","6","R 3 :H","R 3","146","","","","- C62.2 H119.4 Ni3 O22.3 P13 Pd29 -","- C62.2 H119.4 Ni3 O22.3 P13 Pd29 -","- C186.6 H358.2 Ni9 O66.9 P39 Pd87 -","3","0.333333","","Tran, Nguyet T.; Kawano, Masaki; Dahl, Lawrence F.","High-nuclearity palladium carbonyl trimethylphosphine clusters containing unprecedented face-condensed icosahedral-based transition-metal core geometries: proposed growth patterns from a centered Pd13 icosahedron†","Journal of the Chemical Society, Dalton Transactions","2001","","19","2731","","10.1039/b103547a","","","0.71073","MoKα","","0.0372","0.0342","","","0.0836","0.0877","","","","","","1.19","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00","" "7010776","16.629","0.0002","17.506","0.0002","25.0118","0.0003","75.353","0.002","89.019","0.002","83.392","0.002","6997.15","0.16","133","2","133","2","","","","","","","","5","P -1","-P 1","2","","","","- C68 H135 O23 P15 Pd35 -","- C68 H135 O23 P15 Pd35 -","- C136 H270 O46 P30 Pd70 -","2","1","","Tran, Nguyet T.; Kawano, Masaki; Dahl, Lawrence F.","High-nuclearity palladium carbonyl trimethylphosphine clusters containing unprecedented face-condensed icosahedral-based transition-metal core geometries: proposed growth patterns from a centered Pd13 icosahedron†","Journal of the Chemical Society, Dalton Transactions","2001","","19","2731","","10.1039/b103547a","","","0.71073","MoKα","","0.2234","0.1006","","","0.2254","0.2873","","","","","","0.955","","","","has coordinates","213973","2020-10-21","18:00:00","" "7010777","41.372","0.007","16.132","0.004","33.06","0.005","90","","128.381","0.01","90","","17296","6","297","2","297","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C71 H144 O23 P16 Pd39 -","- C71 H144 O23 P16 Pd39 -","- C284 H576 O92 P64 Pd156 -","4","0.5","","Tran, Nguyet T.; Kawano, Masaki; Dahl, Lawrence F.","High-nuclearity palladium carbonyl trimethylphosphine clusters containing unprecedented face-condensed icosahedral-based transition-metal core geometries: proposed growth patterns from a centered Pd13 icosahedron†","Journal of the Chemical Society, Dalton Transactions","2001","","19","2731","","10.1039/b103547a","","","0.71073","MoKα","","0.1952","0.1159","","","0.2387","0.2778","","","","","","1.155","","","","has coordinates,has disorder","213973","2020-10-21","18:00:00","" "7010778","22.7815","0.0003","22.7815","0.0003","28.0363","0.0004","90","","90","","120","","12601.3","0.3","133","2","133","2","","","","","","","","5","P -3 1 c","-P 3 2c","163","","","","- C113 H228 O36.5 P21 Pd59 -","- C112.742 H228 O36.242 P21 Pd59.258 -","- C225.484 H456 O72.484 P42 Pd118.516 -","2","0.166667","","Tran, Nguyet T.; Kawano, Masaki; Dahl, Lawrence F.","High-nuclearity palladium carbonyl trimethylphosphine clusters containing unprecedented face-condensed icosahedral-based transition-metal core geometries: proposed growth patterns from a centered Pd13 icosahedron†","Journal of the Chemical Society, Dalton Transactions","2001","","19","2731","","10.1039/b103547a","","","0.71073","MoKα","","0.1187","0.0546","","","0.1207","0.1455","","","","","","0.978","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00","" "7010779","14.838","0.003","15.446","0.003","19.174","0.004","90","","105.05","0.02","90","","4243.7","1.5","173","2","173","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C33 H57 Cl4 Li N2 O2 Si2 Zr -","- C33 H52 Cl4 Li N2 O2 Si2 Zr -","- C132 H208 Cl16 Li4 N8 O8 Si8 Zr4 -","4","1","","Hitchcock, Peter B.; Lappert, Michael F.; Layh, Marcus","The reactions of lithium trimethysilylmethyls with isocyanides; structures and reactions of the derived lithium 1-azaallyls, β-diketiminates and a 1-azabuta-1,3-dienyl-3-amide","Journal of the Chemical Society, Dalton Transactions","2001","","16","2409","","10.1039/b103553n","","","0.71073","MoKα","","0.0586","0.0403","","0.1045","0.0939","","","","1.019","1.046","1.046","","","","","has coordinates,has disorder","179811","2020-10-21","18:00:00","" "7010780","32.9","0.007","8.553","0.002","19.852","0.005","90","","113.77","0.02","90","","5112","2","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C25 H40 Li N3 Si -","- C25 H40 Li N3 Si -","- C200 H320 Li8 N24 Si8 -","8","1","","Hitchcock, Peter B.; Lappert, Michael F.; Layh, Marcus","The reactions of lithium trimethysilylmethyls with isocyanides; structures and reactions of the derived lithium 1-azaallyls, β-diketiminates and a 1-azabuta-1,3-dienyl-3-amide","Journal of the Chemical Society, Dalton Transactions","2001","","16","2409","","10.1039/b103553n","","","0.71073","MoKα","","0.1941","0.0884","","0.2225","0.1695","","","","1.011","1.134","1.134","","","","","has coordinates","179811","2020-10-21","18:00:00","" "7010781","10.887","0.003","11.272","0.002","14.266","0.003","87.11","0.02","76.64","0.02","84.46","0.02","1694.6","0.7","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C34 H49 Li N4 Si -","- C34 H49 Li N4 Si -","- C68 H98 Li2 N8 Si2 -","2","1","","Hitchcock, Peter B.; Lappert, Michael F.; Layh, Marcus","The reactions of lithium trimethysilylmethyls with isocyanides; structures and reactions of the derived lithium 1-azaallyls, β-diketiminates and a 1-azabuta-1,3-dienyl-3-amide","Journal of the Chemical Society, Dalton Transactions","2001","","16","2409","","10.1039/b103553n","","","0.71073","MoKα","","0.1075","0.0629","","0.1781","0.1486","","","","1.038","1.104","1.104","","","","","has coordinates","179811","2020-10-21","18:00:00","" "7010782","9.7777","0.0005","23.9675","0.0014","32.467","0.0018","90","","97.898","0.001","90","","7536.4","0.7","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C35 H39 Mo2 O5.5 Ru2 S3 -","- C35 H39 Mo2 O5.5 Ru2 S3 -","- C280 H312 Mo16 O44 Ru16 S24 -","8","1","","Adams, Harry; Morris, Michael J.; Mountford, Philip; Patel, Rushmiben; Spey, Sharon E.","A dimolybdenum complex with an alkyne ligand parallel to the metal‒metal bond: synthesis, structure and cluster formation reactions of [Mo2(µ-η1,η1-C2Ph2)(µ-S)(µ-SPri)2Cp2]","Journal of the Chemical Society, Dalton Transactions","2001","","18","2601","","10.1039/b103698j","","","0.71073","MoKα","","0.0693","0.0553","","","0.12","0.1266","","","","","","1.166","","","","has coordinates","176453","2020-10-21","18:00:00","" "7010783","10.2162","0.0007","24.5292","0.0016","11.6041","0.0008","90","","91.891","0.001","90","","2906.3","0.3","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C30 H34 Mo2 S3 -","- C30 H34 Mo2 S3 -","- C120 H136 Mo8 S12 -","4","1","","Adams, Harry; Morris, Michael J.; Mountford, Philip; Patel, Rushmiben; Spey, Sharon E.","A dimolybdenum complex with an alkyne ligand parallel to the metal‒metal bond: synthesis, structure and cluster formation reactions of [Mo2(µ-η1,η1-C2Ph2)(µ-S)(µ-SPri)2Cp2]","Journal of the Chemical Society, Dalton Transactions","2001","","18","2601","","10.1039/b103698j","","","0.71073","MoKα","","0.0908","0.063","","","0.1842","0.2401","","","","","","1.125","","","","has coordinates","179811","2020-10-21","18:00:00","" "7010784","34.187","0.006","7.8516","0.0013","41.618","0.007","90","","113.969","0.003","90","","10208","3","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C27 H20 Mo2 O3 Ru S2 -","- C27 H20 Mo2 O3 Ru S2 -","- C432 H320 Mo32 O48 Ru16 S32 -","16","2","","Adams, Harry; Morris, Michael J.; Mountford, Philip; Patel, Rushmiben; Spey, Sharon E.","A dimolybdenum complex with an alkyne ligand parallel to the metal‒metal bond: synthesis, structure and cluster formation reactions of [Mo2(µ-η1,η1-C2Ph2)(µ-S)(µ-SPri)2Cp2]","Journal of the Chemical Society, Dalton Transactions","2001","","18","2601","","10.1039/b103698j","","","0.71073","MoKα","","0.1257","0.057","","","0.0945","0.111","","","","","","0.874","","","","has coordinates","179811","2020-10-21","18:00:00","" "7010785","20.566","0.007","20.566","","12.563","0.007","90","","90","","90","","5314","3","293","2","293","2","","","","","","","synthesized by the authors, see text","7","I 4/m","-I 4","87","","","","- C15.6 H32.8 Cl3.8 N4 O0.8 P2 Re -","- C12 H25 Cl3 N4 P2 Re -","- C96 H200 Cl24 N32 P16 Re8 -","8","0.5","","Fortin, Sébastien; Fabre, Paul-Louis; Dartiguenave, Michèle; Beauchamp, André L.","Neutral and cationic biimidazoledihalogenobis(trimethylphosphine)rhenium(iii) complexes: ion-pairing, acid‒base and redox propertiesElectronic supplementary information (ESI) available: details of the structure determination and refinement for compounds 4, 5, 7 and 9·OPPh3. See http://www.rsc.org/suppdata/dt/b1/b103719f/","Journal of the Chemical Society, Dalton Transactions","2001","","23","3520","","10.1039/b103719f","","","1.54178","CuKα","","0.0557","0.0413","","0.1239","","0.1204","","","0.937","","","1.119","","","","has coordinates,has disorder","179811","2020-10-21","18:00:00","" "7010786","12.952","0.01","15.892","0.009","15.898","0.01","82.36","0.05","69.27","0.06","68.09","0.06","2839","4","293","2","293","2","","","","","","","synthesized by the authors, see text","7","P -1","-P 1","2","","","","- C16.4 H35 Br3 N4 O1.1 P2 Re -","- C12 H24 Br3 N4 P2 Re -","- C48 H96 Br12 N16 P8 Re4 -","4","2","","Fortin, Sébastien; Fabre, Paul-Louis; Dartiguenave, Michèle; Beauchamp, André L.","Neutral and cationic biimidazoledihalogenobis(trimethylphosphine)rhenium(iii) complexes: ion-pairing, acid‒base and redox properties","Journal of the Chemical Society, Dalton Transactions","2001","","23","3520","","10.1039/b103719f","","","1.54178","CuKα","","0.0489","0.0388","","0.1089","","0.1042","","","1.062","","","1.139","","","","has coordinates","192825","2020-10-21","18:00:00","" "7010787","12.048","0.005","9.15","0.003","18.308","0.005","90","","91.54","0.03","90","","2017.5","1.2","293","2","293","2","","","","","","","synthesized by the authors, see text","6","P 1 21/c 1","-P 2ybc","14","","","","- C12 H23 Cl2 N4 P2 Re -","- C12 H23 Cl2 N4 P2 Re -","- C48 H92 Cl8 N16 P8 Re4 -","4","1","","Fortin, Sébastien; Fabre, Paul-Louis; Dartiguenave, Michèle; Beauchamp, André L.","Neutral and cationic biimidazoledihalogenobis(trimethylphosphine)rhenium(iii) complexes: ion-pairing, acid‒base and redox propertiesElectronic supplementary information (ESI) available: details of the structure determination and refinement for compounds 4, 5, 7 and 9·OPPh3. See http://www.rsc.org/suppdata/dt/b1/b103719f/","Journal of the Chemical Society, Dalton Transactions","2001","","23","3520","","10.1039/b103719f","","","1.54178","CuKα","","0.0765","0.0581","","0.1524","","0.1444","","","0.902","","","1.042","","","","has coordinates","179811","2020-10-21","18:00:00","" "7010788","9.488","0.002","12.841","0.002","30.166","0.004","90","","101.66","0.01","90","","3599.4","1.1","293","2","293","2","","","","","","","synthesized by the authors, see text","7","P 1 21/c 1","-P 2ybc","14","","","","- C30 H38 I2 N4 O P3 Re -","- C30 H38 I2 N4 O P3 Re -","- C120 H152 I8 N16 O4 P12 Re4 -","4","1","","Fortin, Sébastien; Fabre, Paul-Louis; Dartiguenave, Michèle; Beauchamp, André L.","Neutral and cationic biimidazoledihalogenobis(trimethylphosphine)rhenium(iii) complexes: ion-pairing, acid‒base and redox propertiesElectronic supplementary information (ESI) available: details of the structure determination and refinement for compounds 4, 5, 7 and 9·OPPh3. See http://www.rsc.org/suppdata/dt/b1/b103719f/","Journal of the Chemical Society, Dalton Transactions","2001","","23","3520","","10.1039/b103719f","","","0.71073","MoKα","","0.0723","0.0409","","0.0924","","0.0809","","","1.07","","","1.1","","","","has coordinates,has disorder","179811","2020-10-21","18:00:00","" "7010789","17.649","0.002","12.0387","0.0016","19.374","0.002","90","","102.834","0.003","90","","4013.6","0.8","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C33 H34 Cl4 N10 O8 Ru -","- C33 H32 Cl4 N10 O8 Ru -","- C132 H128 Cl16 N40 O32 Ru4 -","4","1","","Byabartta, Prithwiraj; Dinda, Joydev; Santra, Prasanta Kumar; Sinha, Chittaranjan; Panneerselvam, Kaliyamoorthy; Liao, Fan-Ling; Lu, Tian-Huey","Heteroleptic tris-chelates of ruthenium(ii)-bipyridine-arylazoimidazoles: Synthesis, spectral characterisation and electrochemical properties. Single crystal X-ray structure of [(2,2'-bipyridine)-bis-{1-methyl-2-(p-tolylazo)imidazole}ruthenium(ii)] perchlorate","Journal of the Chemical Society, Dalton Transactions","2001","","19","2825","","10.1039/b103782j","","","0.71073","MoKα","","0.1423","0.0837","","","0.1961","0.2281","","","","","","1.053","","","","has coordinates","179811","2020-10-21","18:00:00","" "7010794","11.953","0.002","8.732","0.008","8.416","0.007","81.4","0.07","76.82","0.05","72.22","0.05","811.4","1.1","293","","293","","","","","","","","","5","P -1","-P 1","2","","","","- C13 H24 Au N Si2 -","- C13 H24 Au N Si2 -","- C26 H48 Au2 N2 Si4 -","2","1","","Tania R. van den Ancker; Suresh K. Bhargava; Fabian Mohr; Stavroula Papadopoulos; Colin L. Raston; Brian W. Skelton; Allan H. White","Syntheses and crystal structures of binuclear gold(I), silver(I) and copper(I) complexes containing bulky pyridyl functionalised alkyl ligands","J. Chem. Soc., Dalton Trans.","2001","","20","3069","3072","10.1039/b103865f","","","0.71073","MoKα","","0.042","0.038","","0.046","","0.045","","","1.85","","","1.93","","","","has coordinates","176432","2020-10-21","18:00:00","" "7010795","12.156","0.005","20.98","0.01","18.848","0.006","90","","110.78","0.03","90","","4494","3","293","","293","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C32 H64 Cu2 N2 Si6 -","- C32 H64 Cu2 N2 Si6 -","- C128 H256 Cu8 N8 Si24 -","4","1","","Tania R. van den Ancker; Suresh K. Bhargava; Fabian Mohr; Stavroula Papadopoulos; Colin L. Raston; Brian W. Skelton; Allan H. White","Syntheses and crystal structures of binuclear gold(I), silver(I) and copper(I) complexes containing bulky pyridyl functionalised alkyl ligands","J. Chem. Soc., Dalton Trans.","2001","","20","3069","3072","10.1039/b103865f","","","0.71073","MoKα","","0.076","0.048","","0.055","","0.051","","","1.675","","","1.999","","","","has coordinates","176432","2020-10-21","18:00:00","" "7010796","11.494","0.005","9.257","0.003","9.058","0.004","113.53","0.03","97.07","0.04","104.56","0.03","827.7","0.7","293","","293","","","","","","","","","5","P -1","-P 1","2","","","","- C13 H24 Cu N Si2 -","- C13 H24 Cu N Si2 -","- C26 H48 Cu2 N2 Si4 -","2","1","","Tania R. van den Ancker; Suresh K. Bhargava; Fabian Mohr; Stavroula Papadopoulos; Colin L. Raston; Brian W. Skelton; Allan H. White","Syntheses and crystal structures of binuclear gold(I), silver(I) and copper(I) complexes containing bulky pyridyl functionalised alkyl ligands","J. Chem. Soc., Dalton Trans.","2001","","20","3069","3072","10.1039/b103865f","","","0.71073","MoKα","","0.08","0.065","","0.075","","0.073","","","1.988","","","1.542","","","","has coordinates","176432","2020-10-21","18:00:00","" "7010797","10.3082","0.001","6.2577","0.0006","16.486","0.002","90","","90","","90","","1063.44","0.19","293","2","293","2","","","","","","","","7","P n m a","-P 2ac 2n","62","","","","?","- C3 H12 Al N O10 P S -","- C12 H48 Al4 N4 O40 P4 S4 -","4","0.5","","Zakowsky, Nadja; Wheatley, Paul S.; Bull, Ivor; Attfield, Martin P.; Morris, Russell E.","Synthesis and structure of an aluminium 3-aminopropylphosphonate sulfate hydrate","Journal of the Chemical Society, Dalton Transactions","2001","","19","2899","","10.1039/b103911n","","","0.6887","","","0.0921","0.0717","","0.2124","0.1929","","","","1.073","1.146","1.146","","","","","has coordinates","179811","2020-10-21","18:00:00","" "7010803","16.089","0.003","10.26","0.002","33.837","0.007","90","","96.8","0.02","90","","5546.3","1.9","293.2","","293.2","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C53 H46 Cl4 N8 O4 P2 Ru2 -","- C53 H46 Cl4 N8 O3.67 P2 Ru2 -","- C212 H184 Cl16 N32 O14.68 P8 Ru8 -","4","1","","Field, Leslie D.; Messerle, Barbara A.; Soler, Linnea; Buys, Irmi E.; Hambley, Trevor W.","Polypyrazolylmethane complexes of ruthenium","Journal of the Chemical Society, Dalton Transactions","2001","","13","1959","1965","10.1039/b103939n","","","1.5418","CuKa","","0.0671","0.045","","0.0505","","0.049","","","2.911","","","3.186","","","","has coordinates","205778","2020-10-21","18:00:00","" "7010804","20.022","0.004","20.022","0.004","20.022","0.004","90.73","0.02","90.73","0.02","90.73","0.02","8024","3","273.2","","273.2","","","","","","","","","7","R -3 :R","-P 3*","148","","","","- C56 H54 Cl2 N6 O2.2 P2.33 Ru -","- C55.6 H44 Cl2 N6 O2.06367 P2.11133 Ru -","- C333.6 H264 Cl12 N36 O12.382 P12.668 Ru6 -","6","1","","Field, Leslie D.; Messerle, Barbara A.; Soler, Linnea; Buys, Irmi E.; Hambley, Trevor W.","Polypyrazolylmethane complexes of ruthenium","Journal of the Chemical Society, Dalton Transactions","2001","","13","1959","1965","10.1039/b103939n","","","0.7107","MoKα","","0.0873","0.0476","","0.0544","","0.0514","","","1.861","","","2.172","","","","has coordinates","205778","2020-10-21","18:00:00","" "7010818","10.0447","0.0005","14.4768","0.0007","18.5427","0.0009","90","","90","","90","","2696.4","0.2","293","2","293","2","","","","","","","","7","P 21 c n","P -2n 2a","33","","","","- C27 H26 Cl2 N2 O P2 Pt -","- C27 H26 Cl2 N2 O P2 Pt -","- C108 H104 Cl8 N8 O4 P8 Pt4 -","4","1","","Slawin, Alexandra M. Z.; Wainwright, Matthew; Woollins, J. Derek","The preparation and coordination chemistry of phosphorus(iii) derivatives of dialkyl ureas and thioureas","Journal of the Chemical Society, Dalton Transactions","2001","","19","2724","","10.1039/b104122n","","","0.71073","MoKα","","0.0309","0.0209","","0.0457","0.0389","","","","0.828","0.885","0.885","","","","","has coordinates","179812","2020-10-21","18:00:00","" "7010819","9.864","0.0004","10.8209","0.0004","15.1644","0.0006","78.43","0.001","80.056","0.001","66.664","0.001","1448.16","0.1","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C29 H30 Cl2 N2 O P2 Pt -","- C29 H30 Cl2 N2 O P2 Pt -","- C58 H60 Cl4 N4 O2 P4 Pt2 -","2","1","","Slawin, Alexandra M. Z.; Wainwright, Matthew; Woollins, J. Derek","The preparation and coordination chemistry of phosphorus(iii) derivatives of dialkyl ureas and thioureas","Journal of the Chemical Society, Dalton Transactions","2001","","19","2724","","10.1039/b104122n","","","0.71073","MoKα","","0.0312","0.0257","","0.0724","0.059","","","","0.978","1.024","1.024","","","","","has coordinates","179812","2020-10-21","18:00:00","" "7010820","14.2866","0.0003","27.6453","0.0005","9.7662","0.0002","90","","92.632","0.001","90","","3853.16","0.13","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C37 H42 Cl4 N2 O P2 Pd2 -","- C37 H42 Cl4 N2 O P2 Pd2 -","- C148 H168 Cl16 N8 O4 P8 Pd8 -","4","1","","Slawin, Alexandra M. Z.; Wainwright, Matthew; Woollins, J. Derek","The preparation and coordination chemistry of phosphorus(iii) derivatives of dialkyl ureas and thioureas","Journal of the Chemical Society, Dalton Transactions","2001","","19","2724","","10.1039/b104122n","","","0.71073","MoKα","","0.1178","0.047","","0.1472","0.1041","","","","0.969","0.983","0.983","","","","","has coordinates","179812","2020-10-21","18:00:00","" "7010821","10.435","0.0002","18.7436","0.0003","15.6919","0.0001","90","","94.362","0.001","90","","3060.28","0.08","293","2","293","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C59 H62 Cl2 N4 O4 P4 Pd2 -","- C59 H62 Cl2 N4 O4 P4 Pd2 -","- C118 H124 Cl4 N8 O8 P8 Pd4 -","2","0.5","","Slawin, Alexandra M. Z.; Wainwright, Matthew; Woollins, J. Derek","The preparation and coordination chemistry of phosphorus(iii) derivatives of dialkyl ureas and thioureas","Journal of the Chemical Society, Dalton Transactions","2001","","19","2724","","10.1039/b104122n","","","0.71073","MoKα","","0.2169","0.1033","","0.354","0.2379","","","","0.891","1.153","1.153","","","","","has coordinates","179812","2020-10-21","18:00:00","" "7010822","12.0547","0.0001","17.0186","0.0002","14.662","","90","","94.485","0.001","90","","2998.76","0.04","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C31 H26 Mo N2 O5 P2 -","- C31 H26 Mo N2 O5 P2 -","- C124 H104 Mo4 N8 O20 P8 -","4","1","","Slawin, Alexandra M. Z.; Wainwright, Matthew; Woollins, J. Derek","The preparation and coordination chemistry of phosphorus(iii) derivatives of dialkyl ureas and thioureas","Journal of the Chemical Society, Dalton Transactions","2001","","19","2724","","10.1039/b104122n","","","0.71073","MoKα","","0.0386","0.0251","","0.079","0.0609","","","","0.95","0.978","0.978","","","","","has coordinates","179812","2020-10-21","18:00:00","" "7010823","14.5596","0.0005","15.4267","0.0005","16.1541","0.0005","90","","98.36","","90","","3589.8","0.2","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C30 H31 Au2 Cl5 N2 O P2 -","- C30 H31 Au2 Cl5 N2 O P2 -","- C120 H124 Au8 Cl20 N8 O4 P8 -","4","1","","Slawin, Alexandra M. Z.; Wainwright, Matthew; Woollins, J. Derek","The preparation and coordination chemistry of phosphorus(iii) derivatives of dialkyl ureas and thioureas","Journal of the Chemical Society, Dalton Transactions","2001","","19","2724","","10.1039/b104122n","","","0.71073","MoKα","","0.0747","0.0354","","0.1052","0.0752","","","","0.849","0.905","0.905","","","","","has coordinates","179812","2020-10-21","18:00:00","" "7010824","13.439","0.006","23.913","0.011","17.169","0.008","90","","90.84","0.03","90","","5517","4","223","2","223","2","","","","","","","","9","P 1 21 1","P 2yb","4","","[(SRu, RC, Spl)-chloro-(eta$6!-p-cymene)-(2-(1-N,N-dimethylaminoethyl)- 1-diphenylphosphino-ferrocene-N,P)-ruthenium(ii)] tetraphenylborate acetone diethylether solvate","","- C63.5 H70 B Cl Fe N O P Ru -","- C63.5 H70 B Cl Fe N O P Ru -","- C254 H280 B4 Cl4 Fe4 N4 O4 P4 Ru4 -","4","2","","Standfest-Hauser, Christina; Slugovc, Christian; Mereiter, Kurt; Schmid, Roland; Kirchner, Karl; Xiao, Li; Weissensteiner, Walter","Hydrogen-transfer catalyzed by half-sandwich Ru(ii) aminophosphine complexesElectronic supplementary information (ESI) available: experimental details and NMR data for 1c and 2c. See http://www.rsc.org/suppdata/dt/b1/b104128m/","Journal of the Chemical Society, Dalton Transactions","2001","","20","2989","","10.1039/b104128m","","","0.71073","MoKα","","0.0536","0.0451","","","0.108","0.1181","","","","","","1.051","","","","has coordinates","179812","2020-10-21","18:00:00","" "7010825","9.542","0.006","34.54","0.02","10.164","0.006","90","","109.67","0.03","90","","3154","3","223","2","223","2","","","","","","","","8","P 1 21 1","P 2yb","4","","[(RRu, RC, Spl)-bromo-(eta$5!-cyclopentadienyl)-(2-(1-N,N-dimethylaminoethyl)- 1-diphenylphosphino-ferrocene-N,P)-ruthenium(ii)] chloroform solvate","","- C32 H34 Br Cl3 Fe N P Ru -","- C32 H34 Br Cl3 Fe N P Ru -","- C128 H136 Br4 Cl12 Fe4 N4 P4 Ru4 -","4","2","","Standfest-Hauser, Christina; Slugovc, Christian; Mereiter, Kurt; Schmid, Roland; Kirchner, Karl; Xiao, Li; Weissensteiner, Walter","Hydrogen-transfer catalyzed by half-sandwich Ru(ii) aminophosphine complexesElectronic supplementary information (ESI) available: experimental details and NMR data for 1c and 2c. See http://www.rsc.org/suppdata/dt/b1/b104128m/","Journal of the Chemical Society, Dalton Transactions","2001","","20","2989","","10.1039/b104128m","","","0.71073","MoKα","","0.0489","0.0425","","","0.0991","0.1018","","","","","","1.004","","","","has coordinates","179812","2020-10-21","18:00:00","" "7010826","7.6216","0.0004","7.6954","0.0004","11.7788","0.0006","105.147","0.003","96.21","0.003","106.593","0.003","626.47","0.06","180","2","180","2","","","","","","","","6","P -1","-P 1","2","Zn(MTT)2","bis(3-hydroxy-4-methyl-2(3H)-thiazolethiolato-S,O)zinc(II)","","- C8 H8 N2 O2 S4 Zn -","- C8 H8 N2 O2 S4 Zn -","- C16 H16 N4 O4 S8 Zn2 -","2","1","","Bond, Andrew D.; Jones, William","Divalent complexes of 3-hydroxy-4-methyl-2(3H)-thiazolethione with Co–Zn: synthesis, X-ray crystal structures and the structure-directing influence of C–H⋯S interactionsElectronic supplementary information (ESI) available: lists of CSD refcodes retrieved from the database analyses and high-temperature PXRD profiles elucidating the solid-state structures of 3 and 4 following dehydration. See http://www.rsc.org/suppdata/dt/b1/b104203n/","Journal of the Chemical Society, Dalton Transactions","2001","","20","3045","","10.1039/b104203n","","","0.71073","MoKα","","0.0408","0.0313","","","0.0712","0.0758","","","","","","1.045","","","","has coordinates","213973","2020-10-21","18:00:00","" "7010827","4.0859","0.0002","12.7571","0.0008","11.9876","0.0007","90","","97.01","0.007","90","","620.17","0.06","298","2","298","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","Cu(MTT)2","bis(3-hydroxy-4-methyl-2(3H)-thiazolethiolato-S,O)copper(II)","","- C8 H8 Cu N2 O2 S4 -","- C8 H8 Cu0.5 N2 O2 S4 -","- C16 H16 Cu N4 O4 S8 -","2","0.5","","Bond, Andrew D.; Jones, William","Divalent complexes of 3-hydroxy-4-methyl-2(3H)-thiazolethione with Co–Zn: synthesis, X-ray crystal structures and the structure-directing influence of C–H⋯S interactionsElectronic supplementary information (ESI) available: lists of CSD refcodes retrieved from the database analyses and high-temperature PXRD profiles elucidating the solid-state structures of 3 and 4 following dehydration. See http://www.rsc.org/suppdata/dt/b1/b104203n/","Journal of the Chemical Society, Dalton Transactions","2001","","20","3045","","10.1039/b104203n","powder diffraction","","1.5406","Cu-Ka","","","","","","","","","","2.76","","","","","","","has coordinates","176453","2020-10-21","18:00:00","" "7010828","10.067","0.005","10.167","0.008","11.184","0.004","92.71","0.06","114","0.04","112.92","0.05","934","1.1","180","2","180","2","","","","","","","","6","P -1","-P 1","2","Ni(MTT)2","bis(3-hydroxy-4-methyl-2(3H)-thiazolethiolato-S,O)nickel(II)","","- C24 H24 N6 Ni3 O6 S12 -","- C24 H24 N6 Ni3 O6 S12 -","- C24 H24 N6 Ni3 O6 S12 -","1","0.5","","Bond, Andrew D.; Jones, William","Divalent complexes of 3-hydroxy-4-methyl-2(3H)-thiazolethione with Co–Zn: synthesis, X-ray crystal structures and the structure-directing influence of C–H⋯S interactionsElectronic supplementary information (ESI) available: lists of CSD refcodes retrieved from the database analyses and high-temperature PXRD profiles elucidating the solid-state structures of 3 and 4 following dehydration. See http://www.rsc.org/suppdata/dt/b1/b104203n/","Journal of the Chemical Society, Dalton Transactions","2001","","20","3045","","10.1039/b104203n","","","0.71073","MoKα","","0.1034","0.057","","","0.1134","0.1317","","","","","","1.009","","","","has coordinates","213973","2020-10-21","18:00:00","" "7010829","7.8258","0.0005","9.7175","0.0006","12.9919","0.0008","105.981","0.001","105.008","0.001","95.913","0.001","901.11","0.1","153","","153","","","","","","","","","6","P -1","-P 1","2","","","","- C38 H34 Cl2 Cu2 N2 S4 -","- C38 H34 Cl2 Cu2 N2 S4 -","- C38 H34 Cl2 Cu2 N2 S4 -","1","0.5","","Ball, Rachel J.; Genge, Anthony R. J.; Radford, Alison L.; Skelton, Brian W.; Tolhurst, Vicki-Anne; White, Allan H.","Complexes of late transition metals containing the mixed donor ligands 2,6-(RSCH2)2C5H3N (R = Ph, Me): Crystal structures of [{Cu(2,6-(PhSCH2)2C5H3N)(µ-X)}2] (X = Cl, Br) and [Ni(2,6-(PhSCH2)2C5H3N)Br2]","Journal of the Chemical Society, Dalton Transactions","2001","","19","2807","","10.1039/b104332n","","","0.71073","MoKα","","0.043","0.03","","0.038","","0.035","","","0.959","","","1.015","","","","has coordinates","176432","2020-10-21","18:00:00","" "7010830","10.035","0.002","13.133","0.006","7.866","0.002","105.25","0.03","96.69","0.02","106.58","0.03","937.8","0.6","293.2","","150.1","","","","","","","","","6","P -1","-P 1","2","","","","- C38 H34 Br2 Cu2 N2 S4 -","- C38 H34 Br2 Cu2 N2 S4 -","- C38 H34 Br2 Cu2 N2 S4 -","1","0.5","","Ball, Rachel J.; Genge, Anthony R. J.; Radford, Alison L.; Skelton, Brian W.; Tolhurst, Vicki-Anne; White, Allan H.","Complexes of late transition metals containing the mixed donor ligands 2,6-(RSCH2)2C5H3N (R = Ph, Me): Crystal structures of [{Cu(2,6-(PhSCH2)2C5H3N)(µ-X)}2] (X = Cl, Br) and [Ni(2,6-(PhSCH2)2C5H3N)Br2]","Journal of the Chemical Society, Dalton Transactions","2001","","19","2807","","10.1039/b104332n","","","0.71069","MoKα","","0.0819","0.0508","","","0.1456","0.1616","","","","","","1.15","","","","has coordinates","176453","2020-10-21","18:00:00","" "7010831","8.294","0.003","17.025","0.004","7.52","0.004","95.86","0.03","109.48","0.03","99.24","0.02","974.2","0.7","150.1","","150.1","","","","","","","","","6","P -1","-P 1","2","","","","- C19 H17 Br2 N Ni S2 -","- C19 H17 Br2 N Ni S2 -","- C38 H34 Br4 N2 Ni2 S4 -","2","1","","Ball, Rachel J.; Genge, Anthony R. J.; Radford, Alison L.; Skelton, Brian W.; Tolhurst, Vicki-Anne; White, Allan H.","Complexes of late transition metals containing the mixed donor ligands 2,6-(RSCH2)2C5H3N (R = Ph, Me): Crystal structures of [{Cu(2,6-(PhSCH2)2C5H3N)(µ-X)}2] (X = Cl, Br) and [Ni(2,6-(PhSCH2)2C5H3N)Br2]","Journal of the Chemical Society, Dalton Transactions","2001","","19","2807","","10.1039/b104332n","","","0.7107","MoKα","","0.0365","0.037","","0.041","","0.041","","","1.538","","","1.54","","","","has coordinates","176453","2020-10-21","18:00:00","" "7010835","10.599","0.0015","13.5789","0.0018","13.3087","0.0018","90","","105.815","0.003","90","","1842.9","0.4","153","2","153","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C33 H30 F12 N6 P2 Ru -","- C32.992 H30 F12 N6 P2 Ru -","- C65.984 H60 F24 N12 P4 Ru2 -","2","1","","Fletcher, Nicholas C.; Nieuwenhuyzen, Mark; Rainey, Sharon","The isolation and purification of tris-2,2'-bipyridine complexes of ruthenium(ii) containing unsymmetrical ligands","Journal of the Chemical Society, Dalton Transactions","2001","","18","2641","","10.1039/b104365j","","","0.71073","MoKα","","0.0643","0.0509","","","0.1249","0.1328","","","","","","1.023","","","","has coordinates,has disorder","179812","2020-10-21","18:00:00","" "7010836","8.198","0.004","8.531","0.004","9.462","0.006","107.85","0.04","106.44","0.05","94.05","0.04","595.1","0.6","180","2","180","2","","","","","","","","4","P -1","-P 1","2","","","","- C26 H30 Al2 N4 -","- C26 H30 Al2 N4 -","- C26 H30 Al2 N4 -","1","0.5","","Armstrong, David R.; Davies, Robert P.; Linton, David J.; Snaith, Ronald; Schooler, Paul; Wheatley, Andrew E. H.","The crystallographic observation of molecular lithium oxide: synthesis and solid-state structure of [Me2AlN(2-C5H4N)Ph]2(O)Li2·2THF†","Journal of the Chemical Society, Dalton Transactions","2001","","19","2838","","10.1039/b104388a","","","0.71073","MoKα","","0.0397","0.0367","","","0.106","0.1106","","","","","","0.688","","","","has coordinates","179812","2020-10-21","18:00:00","" "7010837","13.814","0.0004","17.674","0.0005","19.75","0.0005","90","","99.557","0.0018","90","","4755","0.2","180","2","180","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","rs0024","","","- C19 H33 Al Li N3 Si2 -","- C19 H33 Al Li N3 Si2 -","- C152 H264 Al8 Li8 N24 Si16 -","8","2","","Armstrong, David R.; Davies, Robert P.; Linton, David J.; Snaith, Ronald; Schooler, Paul; Wheatley, Andrew E. H.","The crystallographic observation of molecular lithium oxide: synthesis and solid-state structure of [Me2AlN(2-C5H4N)Ph]2(O)Li2·2THF†","Journal of the Chemical Society, Dalton Transactions","2001","","19","2838","","10.1039/b104388a","","","0.7107","MoKα","","0.0792","0.0543","","","0.148","0.1662","","","","","","1.063","","","","has coordinates","179812","2020-10-21","18:00:00","" "7010838","20.158","0.007","9.686","0.004","18.129","0.004","90","","90","","90","","3540","2","180","2","180","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C34 H46 Al2 Li2 N4 O3 -","- C34 H46 Al2 Li2 N4 O3 -","- C136 H184 Al8 Li8 N16 O12 -","4","1","","Armstrong, David R.; Davies, Robert P.; Linton, David J.; Snaith, Ronald; Schooler, Paul; Wheatley, Andrew E. H.","The crystallographic observation of molecular lithium oxide: synthesis and solid-state structure of [Me2AlN(2-C5H4N)Ph]2(O)Li2·2THF†","Journal of the Chemical Society, Dalton Transactions","2001","","19","2838","","10.1039/b104388a","","","0.71069","MoKα","","0.1453","0.07","","","0.1232","0.1513","","","","","","0.978","","","","has coordinates,has disorder","179812","2020-10-21","18:00:00","" "7010839","16.497","0.001","9.517","0.002","17.971","0.002","90","","94.13","","90","","2814.2","0.7","153","2","153","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C18 H42 Ag2 B2 F8 N8 -","- C18 H42 Ag2 B2 F8 N8 -","- C72 H168 Ag8 B8 F32 N32 -","4","1","","McKee, Vickie; Nelson, Jane; Speed, David J.; Town, Raewyn M.","Conformational and coordination plasticity in silver(i) cryptates","Journal of the Chemical Society, Dalton Transactions","2001","","24","3641","","10.1039/b104434f","","","0.71073","MoKα","","0.0832","0.0578","","","0.1492","0.1681","","","","","","1.034","","","","has coordinates,has disorder","213973","2020-10-21","18:00:00","" "7010840","33.92","0.006","43.787","0.003","11.445","0.002","90","","90","","90","","16999","4","153","2","153","2","","","","","","","","7","F d d 2","F 2 -2d","43","","","","- C24 H53 Ag3 F9 N8 O11.5 S3 -","- C24 H53 Ag3 F9 N8 O11.5 S3 -","- C384 H848 Ag48 F144 N128 O184 S48 -","16","1","","McKee, Vickie; Nelson, Jane; Speed, David J.; Town, Raewyn M.","Conformational and coordination plasticity in silver(i) cryptates","Journal of the Chemical Society, Dalton Transactions","2001","","24","3641","","10.1039/b104434f","","","0.71073","MoKα","","0.0615","0.0413","","","0.066","0.0717","","","","","","1.042","","","","has coordinates","176453","2020-10-21","18:00:00","" "7010844","19.964","0.001","12.6772","0.0006","11.2548","0.0003","90","","90","","90","","2848.5","0.2","180","2","180","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C19 H45 Li O4 Zn3 -","- C19 H45 Li O4 Zn3 -","- C76 H180 Li4 O16 Zn12 -","4","0.5","","Bond, Andrew D.; Linton, David J.; Schooler, Paul; Wheatley, Andrew E. H.","Solvent-dependent assembly of mixed-metal N,N′-diphenylbenzamidinate oxide and alkoxide complexes","Journal of the Chemical Society, Dalton Transactions","2001","","21","3173","","10.1039/b104444n","","","0.71073","MoKα","","0.0858","0.05","","","0.1293","0.1528","","","","","","1.068","","","","has coordinates","213973","2020-10-21","18:00:00","" "7010845","12.5676","0.0006","13.3855","0.0007","15.8867","0.0008","107.555","0.002","94.761","0.002","115.412","0.003","2230.4","0.2","180","2","180","2","","","","","","","","6","P -1","-P 1","2","","","","- C101 H106 Li2 N8 O6 Zn2 -","- C101 H106 Li2 N8 O6 Zn2 -","- C101 H106 Li2 N8 O6 Zn2 -","1","0.5","","Bond, Andrew D.; Linton, David J.; Schooler, Paul; Wheatley, Andrew E. H.","Solvent-dependent assembly of mixed-metal N,N′-diphenylbenzamidinate oxide and alkoxide complexes","Journal of the Chemical Society, Dalton Transactions","2001","","21","3173","","10.1039/b104444n","","","0.71073","MoKα","","0.0906","0.0566","","","0.1271","0.1421","","","","","","1.03","","","","has coordinates,has disorder","213973","2020-10-21","18:00:00","" "7010846","17.4711","0.0005","24.7419","0.0008","24.2561","0.0007","90","","90.718","0.002","90","","10484.3","0.5","180","2","180","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C128 H106 Li4 N12 O Zn2 -","- C128 H106 Li4 N12 O Zn2 -","- C512 H424 Li16 N48 O4 Zn8 -","4","0.5","","Bond, Andrew D.; Linton, David J.; Schooler, Paul; Wheatley, Andrew E. H.","Solvent-dependent assembly of mixed-metal N,N′-diphenylbenzamidinate oxide and alkoxide complexes","Journal of the Chemical Society, Dalton Transactions","2001","","21","3173","","10.1039/b104444n","","","0.71073","MoKα","","0.0911","0.0657","","","0.1619","0.1794","","","","","","1.03","","","","has coordinates,has disorder","213973","2020-10-21","18:00:00","" "7010847","7.69","0.001","8.358","0.002","12.149","0.004","70","0.02","80.87","0.02","83.58","0.02","723.1","0.3","273.2","","273.2","","","","","","","","","6","P -1","-P 1","2","","","","- C9 H21 Cl2 N3 O Pt -","- C9 H21 Cl2 N3 O Pt -","- C18 H42 Cl4 N6 O2 Pt2 -","2","1","","Cham, S. Tsuey; Diakos, Connie I.; Ellis, Leanne T.; Fenton, Ronald R.; Munk, Vivienne P.; Messerle, Barbara A.; Hambley, Trevor W.","Isomer formation in the binding of [PtCl2(cis-cyclohexane-1,3-diamine)] to oligonucleotides and the X-ray crystal structure of [PtCl2(cis-cyclohexane-1,3-diamine)]·dimethylformamide†","Journal of the Chemical Society, Dalton Transactions","2001","","19","2769","","10.1039/b104502b","","","0.7107","MoKα","","0.0229","0.0229","","0.0232","0.0232","","","","2.758","2.758","2.758","","","","","has coordinates","209482","2020-10-21","18:00:00","" "7010848","20.399","0.002","20.399","0.001","12.0635","0.0008","90","0.002","90","0.003","90","0.003","5019.9","0.6","296.2","","","","","","","","","","","4","I 4","I 4","79","","","","- C136 H92 Co N4 -","- C136 H92 Co N4 -","- C272 H184 Co2 N8 -","2","0.25","","Ishii, Tomohiko; Kanehama, Ryo; Aizawa, Naoko; Yamashita, Masahiro; Matsuzaka, Hiroyuki; Sugiura, Ken-ichi; Miyasaka, Hitoshi; Kodama, Takeshi; Kikuchi, Kouichi; Ikemoto, Isao; Tanaka, Hisaaki; Marumoto, Kazuhiro; Kuroda, Shin-Ichi","Fullerene C60 exhibiting a strong intermolecular interaction in a cocrystallite with C4 symmetrical cobalt tetrakis(di-tert-butylphenyl)porphyrin","Journal of the Chemical Society, Dalton Transactions","2001","","20","2975","","10.1039/b104514h","","","0.7107","MoKα","","","0.056","","","","0.1358","","","","","","1.944","","","","has coordinates","176453","2020-10-21","18:00:00","" "7010849","19.9711","0.0004","19.9711","0.0004","11.997","0.0002","90","","90","","90","","4784.94","0.16","83.2","","","","","","","","","","","4","I 4","I 4","79","","","","- C136 H92 Co N4 -","- C136 H92 Co N4 -","- C272 H184 Co2 N8 -","2","0.25","","Ishii, Tomohiko; Kanehama, Ryo; Aizawa, Naoko; Yamashita, Masahiro; Matsuzaka, Hiroyuki; Sugiura, Ken-ichi; Miyasaka, Hitoshi; Kodama, Takeshi; Kikuchi, Kouichi; Ikemoto, Isao; Tanaka, Hisaaki; Marumoto, Kazuhiro; Kuroda, Shin-Ichi","Fullerene C60 exhibiting a strong intermolecular interaction in a cocrystallite with C4 symmetrical cobalt tetrakis(di-tert-butylphenyl)porphyrin","Journal of the Chemical Society, Dalton Transactions","2001","","20","2975","","10.1039/b104514h","","","0.7107","MoKα","","","0.0319","","","","0.0744","","","","","","0.976","","","","has coordinates","176453","2020-10-21","18:00:00","" "7010850","18.698","0.002","14.3969","0.0018","12.9711","0.0016","90","","121.106","0.002","90","","2989.7","0.6","298","2","298","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C24.5 H26 Cl Cu N4 O4.5 S3 -","- C24.5 H24 Cl Cu N4 O4.5 S3 -","- C98 H96 Cl4 Cu4 N16 O18 S12 -","4","0.5","","Su, Xun-Cheng; Zhu, Shourong; Lin, Hua-Kuan; Leng, Xue-Bing; Chen, Yun-Ti","Engineering of non-interpenetrating 3-D and 2-D networks and guest adsorption based on 4,4′-di(3-methyl)pyridyl sulfide copper(ii) complexes","Journal of the Chemical Society, Dalton Transactions","2001","","21","3163","","10.1039/b104515f","","","0.71073","MoKα","","0.0477","0.0415","","","0.1256","0.1319","","","","","","1.098","","","","has coordinates","176453","2020-10-21","18:00:00","" "7010851","12.588","0.003","18.717","0.005","18.227","0.005","90","","92.98","0.005","90","","4288.6","1.9","298","2","298","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C29 H27 Cl9 Cu N6 O0 S4 -","- C29 H27 Cl9 Cu N6 S4 -","- C116 H108 Cl36 Cu4 N24 S16 -","4","1","","Su, Xun-Cheng; Zhu, Shourong; Lin, Hua-Kuan; Leng, Xue-Bing; Chen, Yun-Ti","Engineering of non-interpenetrating 3-D and 2-D networks and guest adsorption based on 4,4′-di(3-methyl)pyridyl sulfide copper(ii) complexes","Journal of the Chemical Society, Dalton Transactions","2001","","21","3163","","10.1039/b104515f","","","0.71073","MoKα","","0.1906","0.0712","","","0.1435","0.1767","","","","","","1.006","","","","has coordinates","213973","2020-10-21","18:00:00","" "7010852","8.5863","0.0004","10.3041","0.0005","18.7795","0.0009","97.606","0.001","94.21","0.001","112.404","0.001","1508.6","0.13","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C28 H32 Cl4 N2 P Rh -","- C28 H32 Cl4 N2 P Rh -","- C56 H64 Cl8 N4 P2 Rh2 -","2","1","","Clarke, Matthew L.; Slawin, Alexandra M. Z.; Wheatley, Matthew V.; Woollins, J. Derek","Synthesis and structure of novel rhodium complexes of multi-functionalised amine-phosphine ligands","Journal of the Chemical Society, Dalton Transactions","2001","","23","3421","","10.1039/b104523g","","","0.71073","MoKα","","0.0619","0.0447","","0.1288","0.1102","","","","0.983","1.034","1.034","","","","","has coordinates","179812","2020-10-21","18:00:00","" "7010853","20.1794","0.0003","14.2417","0.0004","20.7001","0.0002","90","","110.993","0.002","90","","5554.1","0.2","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C27 H31 Cl2 N3 P Rh -","- C27 H31 Cl2 N3 P Rh -","- C216 H248 Cl16 N24 P8 Rh8 -","8","2","","Clarke, Matthew L.; Slawin, Alexandra M. Z.; Wheatley, Matthew V.; Woollins, J. Derek","Synthesis and structure of novel rhodium complexes of multi-functionalised amine-phosphine ligands","Journal of the Chemical Society, Dalton Transactions","2001","","23","3421","","10.1039/b104523g","","","0.71073","MoKα","","0.178","0.0639","","0.1401","0.1019","","","","0.952","1.102","1.102","","","","","has coordinates","179812","2020-10-21","18:00:00","" "7010854","13.0569","0.0003","19.4344","0.0005","13.9166","0.0003","90","","91.135","0.001","90","","3530.69","0.14","566","2","566","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C35 H46 Cl2 N3 O1.5 P Rh -","- C35 H39 Cl2 N3 O1.5 P Rh -","- C140 H156 Cl8 N12 O6 P4 Rh4 -","4","1","","Clarke, Matthew L.; Slawin, Alexandra M. Z.; Wheatley, Matthew V.; Woollins, J. Derek","Synthesis and structure of novel rhodium complexes of multi-functionalised amine-phosphine ligands","Journal of the Chemical Society, Dalton Transactions","2001","","23","3421","","10.1039/b104523g","","","0.71073","MoKα","","0.1009","0.0589","","0.1928","0.1414","","","","1.126","1.22","1.22","","","","","has coordinates","176453","2020-10-21","18:00:00","" "7010855","32.668","0.002","8.1102","0.0005","24.401","0.002","90","","102.928","0.002","90","","6301","0.8","293","2","293","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C27.5 H30 Cl3 N O4 P Rh -","- C27.5 H29 Cl3 N O4 P Rh -","- C220 H232 Cl24 N8 O32 P8 Rh8 -","8","1","","Clarke, Matthew L.; Slawin, Alexandra M. Z.; Wheatley, Matthew V.; Woollins, J. Derek","Synthesis and structure of novel rhodium complexes of multi-functionalised amine-phosphine ligands","Journal of the Chemical Society, Dalton Transactions","2001","","23","3421","","10.1039/b104523g","","","0.71073","MoKα","","0.1026","0.0574","","0.2421","0.146","","","","0.868","0.898","0.898","","","","","has coordinates","176453","2020-10-21","18:00:00","" "7010856","16.6792","0.0011","9.7256","0.0006","21.2011","0.0013","90","","97.336","0.001","90","","3411","0.4","293","2","293","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C31 H41 Cl2 N3 O5 P Rh -","- C31 H41 Cl2 N3 O5 P Rh -","- C124 H164 Cl8 N12 O20 P4 Rh4 -","4","1","","Clarke, Matthew L.; Slawin, Alexandra M. Z.; Wheatley, Matthew V.; Woollins, J. Derek","Synthesis and structure of novel rhodium complexes of multi-functionalised amine-phosphine ligands","Journal of the Chemical Society, Dalton Transactions","2001","","23","3421","","10.1039/b104523g","","","0.71073","MoKα","","0.0831","0.0411","","0.104","0.082","","","","0.95","1.001","1.001","","","","","has coordinates","179812","2020-10-21","18:00:00","" "7010859","8.8737","0.0001","13.5627","0.0002","17.5293","0.0001","90","","90","","90","","2109.67","0.04","293","2","293","2","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C18 H22 Cl2 N O2 P Pd S -","- C18 H22 Cl2 N O2 P Pd S -","- C72 H88 Cl8 N4 O8 P4 Pd4 S4 -","4","1","","Zhang, Qingzhi; Slawin, Alexandra M. Z.; Woollins, J. Derek","Chiral palladium complexes from N-diphenylphosphinoamino methyl esters","Journal of the Chemical Society, Dalton Transactions","2001","","24","3598","","10.1039/b104571g","","","0.71073","MoKα","","0.0189","0.0168","","0.0454","0.0423","","","","1.008","1.021","1.021","","","","","has coordinates","179812","2020-10-21","18:00:00","" "7010860","11.8621","0.0001","18.787","0.0003","9.1333","0.0002","90","","90","","90","","2035.39","0.06","293","2","293","2","","","","","","","","8","P 21 21 2","P 2 2ab","18","","","","- C32.5 H35 Cl3 N2 O4 P2 Pd2 S2 -","- C32.5 H35 Cl3 N2 O4 P2 Pd2 S2 -","- C65 H70 Cl6 N4 O8 P4 Pd4 S4 -","2","0.5","","Zhang, Qingzhi; Slawin, Alexandra M. Z.; Woollins, J. Derek","Chiral palladium complexes from N-diphenylphosphinoamino methyl esters","Journal of the Chemical Society, Dalton Transactions","2001","","24","3598","","10.1039/b104571g","","","0.71073","MoKα","","0.0422","0.0344","","0.1154","0.0875","","","","1.129","1.135","1.135","","","","","has coordinates","176453","2020-10-21","18:00:00","" "7010861","34.9726","0.001","11.5969","0.0003","28.4498","0.0009","90","","115.202","0.002","90","","10440.2","0.5","213","2","213","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C46 H80 K2 O4 P2 -","- C46 H80 K2 O4 P2 -","- C368 H640 K16 O32 P16 -","8","1","","Christoph Frenzel; Fernando Somoza Jr.; Steffen Blaurock; Evamarie Hey-Hawkins","Syntheses and solid-state structures of [{K(THF)2(PHTipp)K(THF)(μ-THF)(PHTipp)}x]2 and [Rb(THF)(PHTipp)]x (Tipp = 2,4,6-Pri3C6H2)","J. Chem. Soc., Dalton Trans.","2001","","20","3115","3118","10.1039/b104576h","","","0.71073","MoKα","","0.1239","0.0825","","","0.1414","0.1542","","","","","","1.085","","","","has coordinates,has disorder","179812","2020-10-21","18:00:00","" "7010862","13.165","0.003","13.643","0.003","13.807","0.003","113.61","0.03","103.67","0.03","91.66","0.03","2186.5","1.1","213","2","213","2","","","","","","","","5","P -1","-P 1","2","","","","- C38 H64 O2 P2 Rb2 -","- C38 H64 O2 P2 Rb2 -","- C76 H128 O4 P4 Rb4 -","2","1","","Christoph Frenzel; Fernando Somoza Jr.; Steffen Blaurock; Evamarie Hey-Hawkins","Syntheses and solid-state structures of [{K(THF)2(PHTipp)K(THF)(μ-THF)(PHTipp)}x]2 and [Rb(THF)(PHTipp)]x (Tipp = 2,4,6-Pri3C6H2)","J. Chem. Soc., Dalton Trans.","2001","","20","3115","3118","10.1039/b104576h","","","0.71073","MoKα","","0.1259","0.0529","","","0.1389","0.1865","","","","","","0.932","","","","has coordinates","179812","2020-10-21","18:00:00","" "7010863","8.2392","0.0004","17.7814","0.0009","22.116","0.0011","103.065","0.001","91.59","0.001","91.399","0.001","3153.4","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H9 O9 P Ru2 -","- C18 H9 O9 P Ru2 -","- C108 H54 O54 P6 Ru12 -","6","3","","Wong, Wai-Yeung; Ting, Fai-Lung; Lam, Wai-Lim","A new family of phosphido-bridged dinuclear ruthenium carbonyl complexes: synthesis of [Ru2(CO)6{µ-P(C(CH)3O)2}(µ-η1,η2-C(CH)3O)] and its reactivity towards terminal alkynes","Journal of the Chemical Society, Dalton Transactions","2001","","20","2981","","10.1039/b104625j","","","0.71073","MoKα","","0.0308","0.025","","","0.0636","0.0667","","","","","","1.002","","","","has coordinates","179812","2020-10-21","18:00:00","" "7010864","16.0212","0.0012","10.9923","0.0008","17.0884","0.0013","90","","99.169","0.002","90","","2971","0.4","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C32 H21 O7 P Ru2 -","- C32 H21 O7 P Ru2 -","- C128 H84 O28 P4 Ru8 -","4","1","","Wong, Wai-Yeung; Ting, Fai-Lung; Lam, Wai-Lim","A new family of phosphido-bridged dinuclear ruthenium carbonyl complexes: synthesis of [Ru2(CO)6{µ-P(C(CH)3O)2}(µ-η1,η2-C(CH)3O)] and its reactivity towards terminal alkynes","Journal of the Chemical Society, Dalton Transactions","2001","","20","2981","","10.1039/b104625j","","","0.71073","MoKα","","0.0929","0.0419","","","0.0996","0.1245","","","","","","0.83","","","","has coordinates","179812","2020-10-21","18:00:00","" "7010865","14.0465","0.001","15.8167","0.0011","14.7","0.001","90","","90.372","0.001","90","","3265.8","0.4","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C34 H25 O7 P Ru2 -","- C34 H25 O7 P Ru2 -","- C136 H100 O28 P4 Ru8 -","4","1","","Wong, Wai-Yeung; Ting, Fai-Lung; Lam, Wai-Lim","A new family of phosphido-bridged dinuclear ruthenium carbonyl complexes: synthesis of [Ru2(CO)6{µ-P(C(CH)3O)2}(µ-η1,η2-C(CH)3O)] and its reactivity towards terminal alkynes","Journal of the Chemical Society, Dalton Transactions","2001","","20","2981","","10.1039/b104625j","","","0.71073","MoKα","","0.0539","0.0416","","","0.1143","0.1319","","","","","","1.053","","","","has coordinates","179812","2020-10-21","18:00:00","" "7010866","9.2527","0.0007","13.7704","0.001","13.7919","0.001","86.827","0.001","71.179","0.001","74.829","0.001","1604.5","0.2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C32 H19 N2 O11 P Ru2 -","- C32 H19 N2 O11 P Ru2 -","- C64 H38 N4 O22 P2 Ru4 -","2","1","","Wong, Wai-Yeung; Ting, Fai-Lung; Lam, Wai-Lim","A new family of phosphido-bridged dinuclear ruthenium carbonyl complexes: synthesis of [Ru2(CO)6{µ-P(C(CH)3O)2}(µ-η1,η2-C(CH)3O)] and its reactivity towards terminal alkynes","Journal of the Chemical Society, Dalton Transactions","2001","","20","2981","","10.1039/b104625j","","","0.71073","MoKα","","0.0361","0.0323","","","0.0872","0.0925","","","","","","1.056","","","","has coordinates","179812","2020-10-21","18:00:00","" "7010867","13.5711","0.0009","17.2037","0.0011","13.5664","0.0009","90","","90.806","0.001","90","","3167.1","0.4","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C32 H17 O7 P Ru2 S2 -","- C32 H17 O7 P Ru2 S2 -","- C128 H68 O28 P4 Ru8 S8 -","4","1","","Wong, Wai-Yeung; Ting, Fai-Lung; Lam, Wai-Lim","A new family of phosphido-bridged dinuclear ruthenium carbonyl complexes: synthesis of [Ru2(CO)6{µ-P(C(CH)3O)2}(µ-η1,η2-C(CH)3O)] and its reactivity towards terminal alkynes","Journal of the Chemical Society, Dalton Transactions","2001","","20","2981","","10.1039/b104625j","","","0.71073","MoKα","","0.0271","0.0211","","","0.055","0.0585","","","","","","1.032","","","","has coordinates","179812","2020-10-21","18:00:00","" "7010868","11.7185","0.0008","13.41","0.0009","15.2078","0.0011","109.347","0.001","102.311","0.001","98.329","0.001","2142","0.3","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C41 H22 Cl3 O7 P Ru2 S4 -","- C41 H22 Cl3 O7 P Ru2 S4 -","- C82 H44 Cl6 O14 P2 Ru4 S8 -","2","1","","Wong, Wai-Yeung; Ting, Fai-Lung; Lam, Wai-Lim","A new family of phosphido-bridged dinuclear ruthenium carbonyl complexes: synthesis of [Ru2(CO)6{µ-P(C(CH)3O)2}(µ-η1,η2-C(CH)3O)] and its reactivity towards terminal alkynes","Journal of the Chemical Society, Dalton Transactions","2001","","20","2981","","10.1039/b104625j","","","0.71073","MoKα","","0.1026","0.0615","","","0.1641","0.1885","","","","","","0.943","","","","has coordinates","179812","2020-10-21","18:00:00","" "7010869","11.064","0.0001","25.2988","0.0004","18.4569","0.0001","90","","95.915","0.001","90","","5138.69","0.1","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C56 H48 F6 N P3 Ru -","- C56 H48 F6 N P3 Ru -","- C224 H192 F24 N4 P12 Ru4 -","4","1","","Chang, Ku-Hsien; Lin, Ying-Chih; Liu, Yi-Hong; Wang, Yu","Reactions of ruthenium cyclopropenyl complexes with trimethylsilyl azide","Journal of the Chemical Society, Dalton Transactions","2001","","21","3154","","10.1039/b104635g","","","0.71073","MoKα","","0.0939","0.0643","","0.1914","0.1728","","","","1.263","1.344","1.344","","","","","has coordinates","179812","2020-10-21","18:00:00","" "7010870","13.251","0.003","17.142","0.003","19.855","0.004","90","","93.17","0.03","90","","4503.1","1.6","295","2","295","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C54 H49 N5 O P2 Ru -","- C54 H49 N5 O P2 Ru -","- C216 H196 N20 O4 P8 Ru4 -","4","1","","Chang, Ku-Hsien; Lin, Ying-Chih; Liu, Yi-Hong; Wang, Yu","Reactions of ruthenium cyclopropenyl complexes with trimethylsilyl azide","Journal of the Chemical Society, Dalton Transactions","2001","","21","3154","","10.1039/b104635g","","","0.71073","MoKα","","0.1107","0.0534","","0.1524","0.1312","","","","0.984","1.154","1.154","","","","","has coordinates","179812","2020-10-21","18:00:00","" "7010871","27.468","0.006","10.055","0.002","23.037","0.005","90","","115.56","0.03","90","","5740","3","293","2","293","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C62.5 H51 Cl F10 O2 P2 Pt2 -","- C62.5 H51 Cl F10 O2 P2 Pt2 -","- C250 H204 Cl4 F40 O8 P8 Pt8 -","4","0.5","","Berenguer, Jesús R.; Forniés, Juan; Lalinde, Elena; Martín, Antonio; Serrano, Blanca","Preparation and characterisation of neutral double- and mono-alkynyl bridged diplatinum complexes†","Journal of the Chemical Society, Dalton Transactions","2001","","19","2926","","10.1039/b104783n","","","0.71073","MoKα","","0.0543","0.0326","","0.0988","0.0763","","","","1.094","1.14","1.14","","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00","" "7010872","24.0547","0.0004","13.5278","0.0002","20.35","0.0003","90","","91.303","0.001","90","","6620.32","0.18","173","","","","","","","","","","Local laboratory","7","C 1 2/c 1","-C 2yc","15","","","","- C79 H54 Cl2 F10 O2 P2 Pt2 -","- C79 H54 Cl2 F10 O2 P2 Pt2 -","- C316 H216 Cl8 F40 O8 P8 Pt8 -","4","0.5","","Berenguer, Jesús R.; Forniés, Juan; Lalinde, Elena; Martín, Antonio; Serrano, Blanca","Preparation and characterisation of neutral double- and mono-alkynyl bridged diplatinum complexes†","Journal of the Chemical Society, Dalton Transactions","2001","","19","2926","","10.1039/b104783n","","","0.71073","MoKα","","0.0363","0.0273","","","0.0594","0.062","","","","","","1.355","","","","has coordinates","176453","2020-10-21","18:00:00","" "7010873","8.9646","0.0003","22.8924","0.0009","23.9497","0.0009","90","","90","","90","","4915","0.3","150","1","150","1","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C18 H12 B Cl3 Cu F4 N5 -","- C18 H12 B Cl3 Cu F4 N5 -","- C144 H96 B8 Cl24 Cu8 F32 N40 -","8","1","","Yuan, Rong-Xin; Xiong, Ren-Gen; Abrahams, Brendan F.; Lee, Gene-Hsiang; Peng, Shie-Ming; Che, Chi-Ming; You, Xiao-Zeng","A Cu(I) coordination polymer employing a nonsteroidal aromatase inhibitor letrozole as a building block†","Journal of the Chemical Society, Dalton Transactions","2001","","14","2071","","10.1039/b104880p","","","0.71073","MoKα","","0.138","0.0822","","","0.2535","0.2814","","","","","","1.083","","","","has coordinates,has disorder","179812","2020-10-21","18:00:00","" "7010874","10.1445","0.0008","15.861","0.004","28.332","0.002","90","","90","","90","","4558.7","1.2","183","2","183","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C16 H37 N S3 Ti -","- C16 H37 N S3 Ti -","- C128 H296 N8 S24 Ti8 -","8","1","","Carmalt, Claire J.; Dinnage, Christopher W.; Parkin, Ivan P.; White, Andrew J. P.; Williams, David J.","Thiolate derivatives of titanium(iv) and tantalum(v) as precursors to metal sulfides","Journal of the Chemical Society, Dalton Transactions","2001","","18","2554","","10.1039/b104888k","","","1.54178","CuKα","","0.1062","0.0566","","0.1979","0.1368","","","","1.039","1.1","1.1","","","","","has coordinates","202017","2020-10-21","18:00:00","" "7010875","32.088","0.007","32.088","0.007","13.126","0.003","90","","90","","90","","13515","5","203","2","203","2","","","","","","","","5","I 41/a :2","-I 4ad","88","","","","- C34 H42 N S4 Ta -","- C34 H42 N S4 Ta -","- C544 H672 N16 S64 Ta16 -","16","1","","Carmalt, Claire J.; Dinnage, Christopher W.; Parkin, Ivan P.; White, Andrew J. P.; Williams, David J.","Thiolate derivatives of titanium(iv) and tantalum(v) as precursors to metal sulfides","Journal of the Chemical Society, Dalton Transactions","2001","","18","2554","","10.1039/b104888k","","","0.71073","MoKα","","0.0605","0.0373","","0.08","0.0694","","","","1.013","1.064","1.064","","","","","has coordinates","202017","2020-10-21","18:00:00","" "7010876","19.88","0.001","14.765","0.001","25.914","0.002","90","","100.681","0.001","90","","7474.7","0.9","150","","150","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C62 H90 Cl8 Fe3 N3 O8 -","- C62 H88 Cl8 Fe3 N3 O8 -","- C248 H352 Cl32 Fe12 N12 O32 -","4","1","","Ogden, Mark I.; Skelton, Brian W.; White, Allan H.","Syntheses, structural studies and solution properties of iron complexes of some amide-substituted calixarenes","Journal of the Chemical Society, Dalton Transactions","2001","","20","3073","","10.1039/b104963c","","","0.71073","MoKα","","0.072","0.043","","0.053","","0.048","","","1.125","","","1.222","","","","has coordinates","176432","2020-10-21","18:00:00","" "7010879","21.073","0.003","8.9637","0.001","16.5679","0.0015","90","","90","","90","","3129.5","0.6","150","","150","","","","","","","","see text","5","P c c n","-P 2ab 2ac","56","","","","- C31.8 H41.4 Mn N5 O4.4 -","- C31.802 H41.404 Mn N5 O4.4 -","- C127.208 H165.616 Mn4 N20 O17.6 -","4","0.5","","Warzeska, Sabine T.; Miccichè, Fabrizio; Mimmi, M. Chiara; Bouwman, Elisabeth; Kooijman, Huub; Spek, Anthony L.; Reedijk, Jan","Tuning the coordination mode in mononuclear manganese complexes by changing the steric bulk of the carboxylates","Journal of the Chemical Society, Dalton Transactions","2001","","23","3507","","10.1039/b104975p","","","0.71073","MoKa","","0.0729","0.0591","","","0.1563","0.1678","","","","","","1.068","","","","has coordinates","179812","2020-10-21","18:00:00","" "7010880","9.7558","0.001","19.356","0.003","22.421","0.004","90","","92.589","0.01","90","","4229.5","1.1","150","","150","","","","","","","","see text","5","P 1 21 1","P 2yb","4","","","","- C45 H53 Mn N5 O5 -","- C45 H53 Mn N5 O5 -","- C180 H212 Mn4 N20 O20 -","4","2","","Warzeska, Sabine T.; Miccichè, Fabrizio; Mimmi, M. Chiara; Bouwman, Elisabeth; Kooijman, Huub; Spek, Anthony L.; Reedijk, Jan","Tuning the coordination mode in mononuclear manganese complexes by changing the steric bulk of the carboxylates","Journal of the Chemical Society, Dalton Transactions","2001","","23","3507","","10.1039/b104975p","","","0.71073","MoKa","","0.0617","0.0487","","","0.0968","0.1019","","","","","","1.054","","","","has coordinates","179812","2020-10-21","18:00:00","" "7010881","9.7431","0.0012","15.554","0.002","17.412","0.003","78.228","0.014","87.74","0.016","84.03","0.02","2568.7","0.7","150","","150","","","","","","","","see text","5","P -1","-P 1","2","","","","- C59 H65 Mn N5 O5 -","- C59 H65 Mn N5 O5 -","- C118 H130 Mn2 N10 O10 -","2","1","","Warzeska, Sabine T.; Miccichè, Fabrizio; Mimmi, M. Chiara; Bouwman, Elisabeth; Kooijman, Huub; Spek, Anthony L.; Reedijk, Jan","Tuning the coordination mode in mononuclear manganese complexes by changing the steric bulk of the carboxylates","Journal of the Chemical Society, Dalton Transactions","2001","","23","3507","","10.1039/b104975p","","","0.71073","MoKa","","0.1102","0.0559","","","0.1019","0.1167","","","","","","1.047","","","","has coordinates","179812","2020-10-21","18:00:00","" "7010882","10.752","0.005","9.51","0.004","17.268","0.007","90","","91.095","0.005","90","","1765.4","1.3","163","2","163","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C8 H21 Cl5 Co N5 Zn -","- C8 H21 Cl5 Co N5 Zn -","- C32 H84 Cl20 Co4 N20 Zn4 -","4","1","","Browne, Julian M. W.; Wikaira, Jan; Hartshorn, Richard M.","Polydentate ligand construction: a re-examination of an intramolecular condensation reactionElectronic supplementary information (ESI) available: crystal data tables. See http://www.rsc.org/suppdata/dt/b1/b104976n/","Journal of the Chemical Society, Dalton Transactions","2001","","23","3513","","10.1039/b104976n","","","0.71073","MoKα","","0.0312","0.0222","","","0.0525","0.0541","","","","","","1.032","","","","has coordinates","213973","2020-10-21","18:00:00","" "7010883","14.618","0.007","18.114","0.009","7.712","0.004","90","","90","","90","","2042.1","1.8","163","2","163","2","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C12 H33 Br2 Cl Co N5 O2 -","- C12 H33 Br2 Cl Co N5 O2 -","- C48 H132 Br8 Cl4 Co4 N20 O8 -","4","1","","Browne, Julian M. W.; Wikaira, Jan; Hartshorn, Richard M.","Polydentate ligand construction: a re-examination of an intramolecular condensation reactionElectronic supplementary information (ESI) available: crystal data tables. See http://www.rsc.org/suppdata/dt/b1/b104976n/","Journal of the Chemical Society, Dalton Transactions","2001","","23","3513","","10.1039/b104976n","","","0.71073","MoKα","","0.0649","0.0445","","","0.1137","0.1213","","","","","","0.977","","","","has coordinates","179812","2020-10-21","18:00:00","" "7010884","10.548","0.003","8.838","0.002","22.21","0.006","90","","98.98","0.004","90","","2045.1","0.9","163","2","163","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C10 H29 Cl5 Co N5 O2 Zn -","- C10 H29 Cl5 Co N5 O2 Zn -","- C40 H116 Cl20 Co4 N20 O8 Zn4 -","4","1","","Browne, Julian M. W.; Wikaira, Jan; Hartshorn, Richard M.","Polydentate ligand construction: a re-examination of an intramolecular condensation reactionElectronic supplementary information (ESI) available: crystal data tables. See http://www.rsc.org/suppdata/dt/b1/b104976n/","Journal of the Chemical Society, Dalton Transactions","2001","","23","3513","","10.1039/b104976n","","","0.71073","MoKα","","0.0401","0.0274","","","0.0588","0.0611","","","","","","0.973","","","","has coordinates","213973","2020-10-21","18:00:00","" "7010885","12.2805","0.0018","12.5562","0.0018","21.182","0.003","90.258","0.002","103.166","0.002","100.171","0.002","3126.9","0.8","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C54 H38 Cl4 N14 O20 S4 Zn2 -","- C54 H32 Cl4 N14 O20 S4 Zn2 -","- C108 H64 Cl8 N28 O40 S8 Zn4 -","2","1","","Rice, Craig R.; Baylies, Christian J.; Harding, Lindsay P.; Jeffery, John C.; Paul, Rowena L.; Ward, Michael D.","Pyridyl–thiazole multidentate ligands: metal-specific recognition of a combination of ligands from a mixture","Journal of the Chemical Society, Dalton Transactions","2001","","20","3039","","10.1039/b104977c","","","0.71073","MoKα","","0.0637","0.0432","","","0.1152","0.1203","","","","","","0.958","","","","has coordinates","213973","2020-10-21","18:00:00","" "7010886","13.8523","0.0009","15.0576","0.001","16.8639","0.0011","74.431","0.001","68.244","0.001","84.994","0.001","3146.8","0.4","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C54 H40 Cl4 N14 Ni2 O21 S4 -","- C54 H32 Cl4 N14 Ni2 O21 S4 -","- C108 H64 Cl8 N28 Ni4 O42 S8 -","2","1","","Rice, Craig R.; Baylies, Christian J.; Harding, Lindsay P.; Jeffery, John C.; Paul, Rowena L.; Ward, Michael D.","Pyridyl–thiazole multidentate ligands: metal-specific recognition of a combination of ligands from a mixture","Journal of the Chemical Society, Dalton Transactions","2001","","20","3039","","10.1039/b104977c","","","0.71073","MoKα","","0.0696","0.0497","","","0.1458","0.1554","","","","","","1.004","","","","has coordinates","213973","2020-10-21","18:00:00","" "7010887","17.2786","0.0011","17.4246","0.0011","26.6802","0.0016","90","","95.332","0.001","90","","7997.9","0.9","293","2","293","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C74 H88 Cl3 Co Er N4 O21 P3 -","- C74 H88 Cl3 Co Er N4 O21 P3 -","- C296 H352 Cl12 Co4 Er4 N16 O84 P12 -","4","1","","Wong, Wai-Kwok; Hou, Anxin; Guo, Jianping; He, Hongshan; Zhang, Lilu; Wong, Wai-Yeung; Li, King-Fai; Cheah, Kok-Wai; Xue, F.; Mak, Thomas C. W.","Synthesis, structure and near-infrared luminescence of neutral 3d–4f bi-metallic monoporphyrinate complexes","Journal of the Chemical Society, Dalton Transactions","2001","","20","3092","","10.1039/b104993n","","","0.71073","MoKα","","0.0569","0.0464","","","0.1289","0.1419","","","","","","1.025","","","","has coordinates","179812","2020-10-21","18:00:00","" "7010888","13.283","0.003","21.498","0.004","23.681","0.005","90","","104.78","0.03","90","","6539","3","293","2","293","2","","","","","","","","8","C 1 c 1","C -2yc","9","","","","- C62 H64 Cl3 Co Er N4 O9 P3 -","- C62 H64 Cl3 Co Er N4 O9 P3 -","- C248 H256 Cl12 Co4 Er4 N16 O36 P12 -","4","1","","Wong, Wai-Kwok; Hou, Anxin; Guo, Jianping; He, Hongshan; Zhang, Lilu; Wong, Wai-Yeung; Li, King-Fai; Cheah, Kok-Wai; Xue, F.; Mak, Thomas C. W.","Synthesis, structure and near-infrared luminescence of neutral 3d–4f bi-metallic monoporphyrinate complexes","Journal of the Chemical Society, Dalton Transactions","2001","","20","3092","","10.1039/b104993n","","","0.71073","MoKα","","0.0666","0.0509","","","0.1274","0.1389","","","","","","1.001","","","","has coordinates","179812","2020-10-21","18:00:00","" "7010889","12.827","0.003","14.337","0.003","22.294","0.005","79.35","0.03","86.77","0.03","74.81","0.03","3888.4","1.6","294","2","294","2","","","","","","","","7","P -1","-P 1","2","","","","- C67.25 H75.5 Co N4 O13.75 P3 Yb -","- C67.25 H75.5 Co N4 O13.75 P3 Yb -","- C134.5 H151 Co2 N8 O27.5 P6 Yb2 -","2","1","","Wong, Wai-Kwok; Hou, Anxin; Guo, Jianping; He, Hongshan; Zhang, Lilu; Wong, Wai-Yeung; Li, King-Fai; Cheah, Kok-Wai; Xue, F.; Mak, Thomas C. W.","Synthesis, structure and near-infrared luminescence of neutral 3d–4f bi-metallic monoporphyrinate complexes","Journal of the Chemical Society, Dalton Transactions","2001","","20","3092","","10.1039/b104993n","","","0.71073","MoKα","","0.0608","0.0567","","","0.1639","0.169","","","","","","1.053","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00","" "7010893","5.9211","0.0004","18.6015","0.0013","11.2551","0.0008","90","","101.799","0.001","90","","1213.46","0.15","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C32 H22 Fe2 S2 -","- C32 H22 Fe2 S2 -","- C64 H44 Fe4 S4 -","2","0.5","","Wong, Wai-Yeung; Lu, Guo-Liang; Ng, Ka-Fai; Choi, Ka-Ho; Lin, Zhenyang","Synthesis, structures and properties of platinum(ii) complexes of oligothiophene-functionalized ferrocenylacetylene","Journal of the Chemical Society, Dalton Transactions","2001","","22","3250","","10.1039/b105016h","","","0.71073","MoK\α","","0.0397","0.0281","","","0.0704","0.0794","","","","","","0.67","","","","has coordinates","179812","2020-10-21","18:00:00","" "7010894","5.8596","0.0004","27.3336","0.0018","10.7396","0.0007","90","","96.729","0.001","90","","1708.2","0.2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H13 Br Fe S2 -","- C20 H13 Br Fe S2 -","- C80 H52 Br4 Fe4 S8 -","4","1","","Wong, Wai-Yeung; Lu, Guo-Liang; Ng, Ka-Fai; Choi, Ka-Ho; Lin, Zhenyang","Synthesis, structures and properties of platinum(ii) complexes of oligothiophene-functionalized ferrocenylacetylene","Journal of the Chemical Society, Dalton Transactions","2001","","22","3250","","10.1039/b105016h","","","0.71073","MoK\α","","0.0361","0.0289","","","0.0723","0.0808","","","","","","1.077","","","","has coordinates","179812","2020-10-21","18:00:00","" "7010895","5.8487","0.0004","28.156","0.0017","10.7594","0.0007","90","","97.99","0.001","90","","1754.6","0.2","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H14 Fe S2 -","- C22 H14 Fe S2 -","- C88 H56 Fe4 S8 -","4","1","","Wong, Wai-Yeung; Lu, Guo-Liang; Ng, Ka-Fai; Choi, Ka-Ho; Lin, Zhenyang","Synthesis, structures and properties of platinum(ii) complexes of oligothiophene-functionalized ferrocenylacetylene","Journal of the Chemical Society, Dalton Transactions","2001","","22","3250","","10.1039/b105016h","","","0.71073","MoK\α","","0.0371","0.0283","","","0.0736","0.0866","","","","","","1.055","","","","has coordinates","179812","2020-10-21","18:00:00","" "7010896","10.928","0.0006","14.6387","0.0008","24.6196","0.0014","90","","96.225","0.001","90","","3915.2","0.4","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C40 H48 Fe P2 Pt S2 -","- C40.669 H33 Fe P2 Pt S2 -","- C162.676 H132 Fe4 P8 Pt4 S8 -","4","1","","Wong, Wai-Yeung; Lu, Guo-Liang; Ng, Ka-Fai; Choi, Ka-Ho; Lin, Zhenyang","Synthesis, structures and properties of platinum(ii) complexes of oligothiophene-functionalized ferrocenylacetylene","Journal of the Chemical Society, Dalton Transactions","2001","","22","3250","","10.1039/b105016h","","","0.71073","MoK\α","","0.0418","0.032","","","0.095","0.0995","","","","","","1.079","","","","has coordinates","179812","2020-10-21","18:00:00","" "7010897","10.2709","0.0014","11.1981","0.0015","14.226","0.002","95.844","0.003","101.305","0.002","93.949","0.003","1589.5","0.4","293","2","293","2","","","","","","","","6","P 1","P 1","1","","","","- C68 H80 Fe2 P2 Pt S4 -","- C68 H80 Fe2 P2 Pt S4 -","- C68 H80 Fe2 P2 Pt S4 -","1","1","","Wong, Wai-Yeung; Lu, Guo-Liang; Ng, Ka-Fai; Choi, Ka-Ho; Lin, Zhenyang","Synthesis, structures and properties of platinum(ii) complexes of oligothiophene-functionalized ferrocenylacetylene","Journal of the Chemical Society, Dalton Transactions","2001","","22","3250","","10.1039/b105016h","","","0.71073","MoK\α","","0.101","0.0563","","","0.1253","0.1544","","","","","","0.915","","","","has coordinates","179812","2020-10-21","18:00:00","" "7010898","20.535","0.0003","10.3459","0.0002","24.7566","0.0006","90","","90","","90","","5259.62","0.18","150","2","150","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C32 H36 N P -","- C32 H36 N P -","- C256 H288 N8 P8 -","8","1","","Said, Musa; Thornton-Pett, Mark; Bochmann, Manfred","Titanium and zirconium complexes with sterically hindered aryl-substituted iminophosphoranato ligands","Journal of the Chemical Society, Dalton Transactions","2001","","19","2844","","10.1039/b105038a","","","0.71073","MoKα","","0.0528","0.0434","","","0.1098","0.1197","","","","","","1.041","","","","has coordinates","213973","2020-10-21","18:00:00","" "7010899","10.6664","0.0006","13.6098","0.0005","14.1992","0.0008","92.661","0.003","111.753","0.003","104.507","0.003","1831.08","0.17","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C38 H52 N4 P Zr -","- C38 H52 N4 P Zr -","- C76 H104 N8 P2 Zr2 -","2","1","","Said, Musa; Thornton-Pett, Mark; Bochmann, Manfred","Titanium and zirconium complexes with sterically hindered aryl-substituted iminophosphoranato ligands","Journal of the Chemical Society, Dalton Transactions","2001","","19","2844","","10.1039/b105038a","","","0.71073","MoKα","","0.0632","0.0528","","","0.1392","0.1502","","","","","","1.046","","","","has coordinates","213973","2020-10-21","18:00:00","" "7010900","10.0566","0.0005","11.7161","0.0006","13.8432","0.0008","68.794","0.001","69.218","0.001","64.736","0.001","1335.75","0.12","180","2","180","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H35 N O3 Pt -","- C30 H35 N O3 Pt -","- C60 H70 N2 O6 Pt2 -","2","1","","Newman, Christopher P.; Cave, Gareth W. V.; Wong, Michael; Errington, William; Alcock, Nathaniel W.; Rourke, Jonathan P.","Di-metallated platinum carbonyl complexes: platinum‒platinum interactions in the solid state","Journal of the Chemical Society, Dalton Transactions","2001","","18","2678","","10.1039/b105073g","","","0.71073","MoKα","","0.0462","0.0354","","0.0749","0.0723","","","","0.935","1.004","1.004","","","","","has coordinates","179813","2020-10-21","18:00:00","" "7010901","32.1213","0.0004","19.1732","0.0001","17.0303","0.0003","90","","97.569","0.001","90","","10397","0.2","180","2","180","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C32 H31 N O2 Pt -","- C32 H31 N O2 Pt -","- C512 H496 N16 O32 Pt16 -","16","2","","Newman, Christopher P.; Cave, Gareth W. V.; Wong, Michael; Errington, William; Alcock, Nathaniel W.; Rourke, Jonathan P.","Di-metallated platinum carbonyl complexes: platinum‒platinum interactions in the solid state","Journal of the Chemical Society, Dalton Transactions","2001","","18","2678","","10.1039/b105073g","","","0.71073","MoKα","","0.0934","0.0381","","","0.0654","0.0799","","","","","","0.943","","","","has coordinates","179813","2020-10-21","18:00:00","" "7010902","19.004","0.004","10.715","0.004","19.586","0.008","90","","101.37","0.03","90","","3910","2","293","1","293","1","","","","","","","","6","P 1 21/a 1","-P 2yab","14","steve6","","","- C20 H52 Fe4 N2 O4 S8 -","- C20 H30 Fe4 N2 O4 S8 -","- C80 H120 Fe16 N8 O16 S32 -","4","1","","Davies, Sian C.; Evans, David J.; Henderson, Richard A.; Hughes, David L.; Longhurst, Steven","Proton affinity of [Fe4S4{SCH2CH(OH)Me}4]2‒ in methanol: relevance to hydrogen bonding of Fe‒S clusters in proteinsElectronic supplementary information (ESI) available: kinetic data for the reaction of [Fe4S4{SCH2CH(OH)Me}4]2‒ with PhS‒ in the presence of [NHEt3]+ in MeOH at 25 °C. See http://www.rsc.org/suppdata/dt/b1/b105075n/","Journal of the Chemical Society, Dalton Transactions","2001","","23","3470","","10.1039/b105075n","","","0.71069","Mo-Kα","","0.1512","0.0897","","0.2714","0.2111","","","","0.966","1.15","1.15","","","","","has coordinates","179813","2020-10-21","18:00:00","" "7010903","9.831","0.001","20.85","0.002","17.6","0.002","90","","92.79","0.002","90","","3603.3","0.6","153","","153","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C42 H35 N4 P Ru -","- C42 H35 N4 P Ru -","- C168 H140 N16 P4 Ru4 -","4","1","","Bruce, Michael I.; Skelton, Brian W.; White, Allan H.; Zaitseva, Natasha N.","Reactions of Ru(CCPh)(PPh3)2Cp* with tetracyanoethene: cycloaddition, formation of unusual η2-CNR complexes and oligomerisation via bridging cyanocarbon ligands","Journal of the Chemical Society, Dalton Transactions","2001","","24","3627","","10.1039/b105131h","","","0.71073","MoKα","","0.058","0.04","","0.055","","0.052","","","1.335","","","1.442","","","","has coordinates","176432","2020-10-21","18:00:00","" "7010904","10.404","0.001","11.359","0.001","15.436","0.002","87.481","0.002","84.698","0.002","89.838","0.002","1814.7","0.3","153","","153","","","","","","","","","6","P -1","-P 1","2","","","","- C43 H39 N4 O P Ru -","- C43 H39 N4 O P Ru -","- C86 H78 N8 O2 P2 Ru2 -","2","1","","Bruce, Michael I.; Skelton, Brian W.; White, Allan H.; Zaitseva, Natasha N.","Reactions of Ru(CCPh)(PPh3)2Cp* with tetracyanoethene: cycloaddition, formation of unusual η2-CNR complexes and oligomerisation via bridging cyanocarbon ligands","Journal of the Chemical Society, Dalton Transactions","2001","","24","3627","","10.1039/b105131h","","","0.71073","MoKα","","0.045","0.033","","0.039","","0.037","","","0.984","","","1.012","","","","has coordinates","176432","2020-10-21","18:00:00","" "7010905","10.5347","0.0006","14.7397","0.0009","20.733","0.001","89.675","0.001","78.178","0.001","74.698","0.001","3035.4","0.3","150","","150","","","","","","","","","5","P -1","-P 1","2","","","","- C70 H61 N10 P Ru2 -","- C70 H61 N10 P Ru2 -","- C140 H122 N20 P2 Ru4 -","2","1","","Bruce, Michael I.; Skelton, Brian W.; White, Allan H.; Zaitseva, Natasha N.","Reactions of Ru(CCPh)(PPh3)2Cp* with tetracyanoethene: cycloaddition, formation of unusual η2-CNR complexes and oligomerisation via bridging cyanocarbon ligands","Journal of the Chemical Society, Dalton Transactions","2001","","24","3627","","10.1039/b105131h","","","0.71073","MoKα","","0.091","0.051","","0.064","","0.059","","","1.279","","","1.423","","","","has coordinates","176432","2020-10-21","18:00:00","" "7010906","28.509","0.003","14.925","0.001","17.749","0.002","90","","90","","90","","7552.1","1.3","150","","150","","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C81 H78 N12 O3 Ru3 -","- C81 H78 N12 O3 Ru3 -","- C324 H312 N48 O12 Ru12 -","4","1","","Bruce, Michael I.; Skelton, Brian W.; White, Allan H.; Zaitseva, Natasha N.","Reactions of Ru(CCPh)(PPh3)2Cp* with tetracyanoethene: cycloaddition, formation of unusual η2-CNR complexes and oligomerisation via bridging cyanocarbon ligands","Journal of the Chemical Society, Dalton Transactions","2001","","24","3627","","10.1039/b105131h","","","0.71073","MoKα","","0.083","0.045","","0.051","","0.044","","","1.274","","","1.336","","","","has coordinates","176432","2020-10-21","18:00:00","" "7010912","10.39","0.0001","17.3447","0.0003","29.5465","0.0005","102.491","0.001","98.362","0.001","92.744","0.001","5125.94","0.14","293","2","293","2","","","","","","","","8","P -1","-P 1","2","","","","- C51 H51 Ag Br N2 O1.5 P4 Se2 -","- C51 H51 Ag Br N2 O1.5 P4 Se2 -","- C204 H204 Ag4 Br4 N8 O6 P16 Se8 -","4","2","","Wilton-Ely, James D. E. T.; Schier, Annette; Schmidbaur, Hubert","Silver(i) coordination by variants of the bis(diphenylphosphino)amine chalcogenide ligandElectronic supplementary information (ESI) available: tables of crystal data. See http://www.rsc.org/suppdata/dt/b1/b105154g/","Journal of the Chemical Society, Dalton Transactions","2001","","24","3647","","10.1039/b105154g","","","0.71073","MoKα","","0.0529","0.0408","","","0.0857","0.0906","","","","","","1.027","","","","has coordinates","176453","2020-10-21","18:00:00","" "7010913","19.8727","0.0002","19.9494","0.0003","26.8027","0.0003","76.036","0.001","72.849","0.001","72.363","0.001","9540.4","0.2","143","2","143","2","","","","","","","","7","P -1","-P 1","2","","","","- C48 H42 Ag Br N2 P4 Se4 -","- C48 H42 Ag Br N2 P4 Se4 -","- C384 H336 Ag8 Br8 N16 P32 Se32 -","8","4","","Wilton-Ely, James D. E. T.; Schier, Annette; Schmidbaur, Hubert","Silver(i) coordination by variants of the bis(diphenylphosphino)amine chalcogenide ligandElectronic supplementary information (ESI) available: tables of crystal data. See http://www.rsc.org/suppdata/dt/b1/b105154g/","Journal of the Chemical Society, Dalton Transactions","2001","","24","3647","","10.1039/b105154g","","","0.71073","MoKα","","0.0994","0.0618","","","0.0991","0.1107","","","","","","1.04","","","","has coordinates","211332","2020-10-21","18:00:00","" "7010914","10.6362","0.0001","10.8018","0.0002","12.8637","0.0002","97.776","0.001","92.204","0.001","106.653","0.001","1398.25","0.04","143","2","143","2","","","","","","","","9","P -1","-P 1","2","","","","- C54 H54 Ag2 Br2 N2 O2 P4 S2 Se2 -","- C54 H54 Ag2 Br2 N2 O2 P4 S2 Se2 -","- C54 H54 Ag2 Br2 N2 O2 P4 S2 Se2 -","1","0.5","","Wilton-Ely, James D. E. T.; Schier, Annette; Schmidbaur, Hubert","Silver(i) coordination by variants of the bis(diphenylphosphino)amine chalcogenide ligandElectronic supplementary information (ESI) available: tables of crystal data. See http://www.rsc.org/suppdata/dt/b1/b105154g/","Journal of the Chemical Society, Dalton Transactions","2001","","24","3647","","10.1039/b105154g","","","0.71073","MoKα","","0.0309","0.0279","","","0.0665","0.0679","","","","","","1.092","","","","has coordinates","211332","2020-10-21","18:00:00","" "7010915","9.799","0.0007","10.663","0.0005","22.994","0.0018","79.981","0.004","89.798","0.004","79.013","0.004","2321.5","0.3","120","","120","","","","","","","","?","6","P -1","-P 1","2","","","","- C35 H22 Mo N8 O2 S18 -","- C35 H22 Mo N8 O2 S18 -","- C70 H44 Mo2 N16 O4 S36 -","2","1","","Rombaut, Guillaume; Turner, Scott S.; Pévelen, Delphine Le; Mathonière, Corine; Day, Peter; Prout, Keith","An unusual phase transition in the crystal structure and physical properties of (TTF)9[Mo(CN)8]2·4H2O, where TTF = tetrathiafulvalene","Journal of the Chemical Society, Dalton Transactions","2001","","22","3244","","10.1039/b105212h","","","0.71069","MoKα","","","0.0484","","","","0.0316","","","","","","1.1239","","","","has coordinates","176453","2020-10-21","18:00:00","" "7010916","9.9094","0.0002","10.6781","0.0002","23.6086","0.0007","75.791","0.0008","88.601","0.0009","78.525","0.0008","2372.5","0.1","270","","270","","","","","","","","?","6","P -1","-P 1","2","","","","- C35 H22 Mo N8 O2 S18 -","- C35 H22 Mo N8 O2 S18 -","- C70 H44 Mo2 N16 O4 S36 -","2","1","","Rombaut, Guillaume; Turner, Scott S.; Pévelen, Delphine Le; Mathonière, Corine; Day, Peter; Prout, Keith","An unusual phase transition in the crystal structure and physical properties of (TTF)9[Mo(CN)8]2·4H2O, where TTF = tetrathiafulvalene","Journal of the Chemical Society, Dalton Transactions","2001","","22","3244","","10.1039/b105212h","","","0.71073","MoKα","","","0.0441","","","","0.0451","","","","","","0.9798","","","","has coordinates","176453","2020-10-21","18:00:00","" "7010917","25.132","0.002","13.195","0.002","26.068","0.002","90","","94.255","0.002","90","","8620.8","1.6","173","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","dodecakis(μ^3^-Oxo)-hexadecakis(μ^2^-chloro/bromoacetato)-tetra-aqua- tetra-manganese(iv)-octa-manganese(iii) hexahydrate di-dichloromethane solvate","","- C34 H48 Cl20 Mn12 O54 -","- C34 H4 Cl20 Mn12 O54.002 -","- C136 H16 Cl80 Mn48 O216.008 -","4","0.5","","An, Jin; Chen, Zhi-Da; Zhang, Xi-Xiang; Raubenheimer, Helgard G.; Esterhuysen, Catharine; Gao, Song; Xu, Guang-Xian","Synthesis, X-ray characterization and single molecule magnetic behaviour of [Mn12O12(O2CCH2X)16(H2O)4]·mCH2Cl2·nH2O (1: X = Cl, m = 2, n = 6; 2: X = Br, m = 4, n = 0)","Journal of the Chemical Society, Dalton Transactions","2001","","22","3352","","10.1039/b105258f","","","0.71073","MoKα","","0.0779","0.0573","","","0.1603","0.1734","","","","","","1.029","","","","has coordinates,has disorder","179813","2020-10-21","18:00:00","" "7010918","26.647","0.004","26.647","0.004","12.85","0.003","90","","90","","90","","9124","3","293","2","293","2","","","","","","","","6","I 41/a :2","-I 4ad","88","","dodecakis(μ^3^-Oxo)-hexadecakis(μ^2^-bromoacetato)-tetra-aqua- tetra-manganese(iv)-octa-manganese(iii) tetra-dichloromethane solvate","","- C36 H48 Br16 Cl8 Mn12 O48 -","- C36 H40 Br16 Cl8 Mn12 O48 -","- C144 H160 Br64 Cl32 Mn48 O192 -","4","0.25","","An, Jin; Chen, Zhi-Da; Zhang, Xi-Xiang; Raubenheimer, Helgard G.; Esterhuysen, Catharine; Gao, Song; Xu, Guang-Xian","Synthesis, X-ray characterization and single molecule magnetic behaviour of [Mn12O12(O2CCH2X)16(H2O)4]·mCH2Cl2·nH2O (1: X = Cl, m = 2, n = 6; 2: X = Br, m = 4, n = 0)","Journal of the Chemical Society, Dalton Transactions","2001","","22","3352","","10.1039/b105258f","","","0.71073","MoKα","","0.1101","0.074","","","0.1992","0.2241","","","","","","1.039","","","","has coordinates,has disorder","213973","2020-10-21","18:00:00","" "7010919","20.439","0.004","10.413","0.002","12.946","0.003","90","","90","","90","","2755.3","1","298","2","298","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C26 H16 N10 Ni S2 -","- C26 H16 N10 Ni S2 -","- C104 H64 N40 Ni4 S8 -","4","1","","Kilkenny, Mairi L.; Nassimbeni, Luigi R.","Tetrakis(3-cyanopyridine)diisothiocyanatonickel(ii) and its clathrates with EtOH and CH2Cl2: structures, thermal stabilities and enthalpies of guest releaseWerner clathrates. Part 15.10 Electronic supplementary information (ESI) available: XRPD traces for 1–3 and for the product obtained on exposure of 1 to CH2Cl2 vapour; graphical representation of the Clausius–Clapeyron equation for the thermal decomposition of 2 and 3; rotatable 3-D crystal structure diagrams in CHIME format. See http://www.rsc.org/suppdata/dt/b1/b105299n/","Journal of the Chemical Society, Dalton Transactions","2001","","20","3065","","10.1039/b105299n","","","0.71073","MoKα","","0.0748","0.034","","","0.0789","0.089","","","","","","1.008","","","","has coordinates","179813","2020-10-21","18:00:00","" "7010920","17.737","0.004","11.527","0.002","17.12","0.003","90","","96.65","0.03","90","","3476.7","1.2","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C30 H28 N10 Ni O2 S2 -","- C30 H16 N10 Ni O2 S2 -","- C120 H64 N40 Ni4 O8 S8 -","4","0.5","","Kilkenny, Mairi L.; Nassimbeni, Luigi R.","Tetrakis(3-cyanopyridine)diisothiocyanatonickel(ii) and its clathrates with EtOH and CH2Cl2: structures, thermal stabilities and enthalpies of guest releaseWerner clathrates. Part 15.10 Electronic supplementary information (ESI) available: XRPD traces for 1–3 and for the product obtained on exposure of 1 to CH2Cl2 vapour; graphical representation of the Clausius–Clapeyron equation for the thermal decomposition of 2 and 3; rotatable 3-D crystal structure diagrams in CHIME format. See http://www.rsc.org/suppdata/dt/b1/b105299n/","Journal of the Chemical Society, Dalton Transactions","2001","","20","3065","","10.1039/b105299n","","","0.71073","MoKα","","0.1061","0.0573","","","0.145","0.1639","","","","","","1.072","","","","has coordinates","179813","2020-10-21","18:00:00","" "7010921","17.8126","0.0007","11.5532","0.0004","17.1122","0.0008","90","","97.668","0.002","90","","3490.1","0.2","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C28 H20 Cl4 N10 Ni S2 -","- C27.692 H19.384 Cl3.384 N10 Ni S2 -","- C110.768 H77.536 Cl13.536 N40 Ni4 S8 -","4","0.5","","Kilkenny, Mairi L.; Nassimbeni, Luigi R.","Tetrakis(3-cyanopyridine)diisothiocyanatonickel(ii) and its clathrates with EtOH and CH2Cl2: structures, thermal stabilities and enthalpies of guest releaseWerner clathrates. Part 15.10 Electronic supplementary information (ESI) available: XRPD traces for 1–3 and for the product obtained on exposure of 1 to CH2Cl2 vapour; graphical representation of the Clausius–Clapeyron equation for the thermal decomposition of 2 and 3; rotatable 3-D crystal structure diagrams in CHIME format. See http://www.rsc.org/suppdata/dt/b1/b105299n/","Journal of the Chemical Society, Dalton Transactions","2001","","20","3065","","10.1039/b105299n","","","0.71073","MoKα","","0.0737","0.055","","","0.1453","0.1594","","","","","","1.031","","","","has coordinates,has disorder","179813","2020-10-21","18:00:00","" "7010922","8.7501","0.0018","9.1116","0.0018","10.35","0.002","83.1","0.03","75.86","0.03","68.69","0.03","745","0.3","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C10 H12 Co3 O11.5 -","- C10 H12 Co3 O11.5 -","- C20 H24 Co6 O23 -","2","1","","Long, La-Sheng; Chen, Xiao-Ming; Tong, Ming-Liang; Sun, Zi-Guang; Ren, Yan-Ping; Huang, Rong-Bin; Zheng, Lan-Sun","A unique open inorganic‒organic framework with alternate hexa- and penta-coordinate cobalt(ii) sites. Synthesis, crystal structure and magnetic properties of [Co3(C4H4O4)2.5(OH)]n·0.5nH2O","Journal of the Chemical Society, Dalton Transactions","2001","","19","2888","","10.1039/b105482c","","","0.71073","MoKα","","0.0345","0.0273","","","0.0596","0.0623","","","","","","1.053","","","","has coordinates","176453","2020-10-21","18:00:00","" "7010923","22.209","0.011","13.52","0.007","25.495","0.013","90","","102.79","0.04","90","","7465","7","203","2","203","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C16 H8 O8 Rh4 -","- C16 H8 O8 Rh4 -","- C256 H128 O128 Rh64 -","16","4","","Wadepohl, Hubert; Merkel, Rüdiger; Pritzkow, Hans; Rihm, Sven","Tetranuclear rhodium clusters with facial cyclooctatetraene ligands","Journal of the Chemical Society, Dalton Transactions","2001","","24","3617","3626","10.1039/b105485f","","","0.71073","MoKα","","0.044","0.0324","","","0.0785","0.0831","","","","","","1.091","","","","has coordinates","179813","2020-10-21","18:00:00","" "7010924","8.889","0.004","9.195","0.005","13.7","0.007","81.04","0.03","78.7","0.03","74.22","0.03","1050.4","0.9","203","2","203","2","","","","","","","","4","P -1","-P 1","2","","","","- C22 H16 O6 Rh4 -","- C22 H16 O6 Rh4 -","- C44 H32 O12 Rh8 -","2","1","","Wadepohl, Hubert; Merkel, Rüdiger; Pritzkow, Hans; Rihm, Sven","Tetranuclear rhodium clusters with facial cyclooctatetraene ligands","Journal of the Chemical Society, Dalton Transactions","2001","","24","3617","3626","10.1039/b105485f","","","0.71073","MoKα","","0.0562","0.0357","","","0.0808","0.0876","","","","","","1.008","","","","has coordinates","179813","2020-10-21","18:00:00","" "7010925","12.3544","0.0002","16.8339","0.0003","20.2878","0.0003","90","","93.051","0.001","90","","4213.33","0.12","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C34 H48 O6 Rh4 Si4 -","- C34 H48 O6 Rh4 Si4 -","- C136 H192 O24 Rh16 Si16 -","4","1","","Wadepohl, Hubert; Merkel, Rüdiger; Pritzkow, Hans; Rihm, Sven","Tetranuclear rhodium clusters with facial cyclooctatetraene ligands","Journal of the Chemical Society, Dalton Transactions","2001","","24","3617","3626","10.1039/b105485f","","","0.71073","MoKα","","0.033","0.0278","","","0.066","0.0682","","","","","","1.208","","","","has coordinates","179813","2020-10-21","18:00:00","" "7010926","10.195","0.01","11.249","0.013","18.16","0.02","81.4","0.09","85.42","0.09","81.04","0.09","2031","4","203","2","203","2","","","","","","","","4","P -1","-P 1","2","","","","- C20 H16 O6 Rh4 -","- C20 H16 O6 Rh4 -","- C80 H64 O24 Rh16 -","4","2","","Wadepohl, Hubert; Merkel, Rüdiger; Pritzkow, Hans; Rihm, Sven","Tetranuclear rhodium clusters with facial cyclooctatetraene ligands","Journal of the Chemical Society, Dalton Transactions","2001","","24","3617","3626","10.1039/b105485f","","","0.71073","MoKα","","0.1361","0.0625","","","0.1416","0.1628","","","","","","0.993","","","","has coordinates","179813","2020-10-21","18:00:00","" "7010927","8.2841","0.0004","10.4702","0.0005","17.0483","0.0008","80.431","0.001","80.432","0.001","70.294","0.001","1363.04","0.11","190","2","190","2","","","","","","","","4","P -1","-P 1","2","","","","- C29 H28 O6 Rh4 -","- C29 H28 O6 Rh4 -","- C58 H56 O12 Rh8 -","2","1","","Wadepohl, Hubert; Merkel, Rüdiger; Pritzkow, Hans; Rihm, Sven","Tetranuclear rhodium clusters with facial cyclooctatetraene ligands","Journal of the Chemical Society, Dalton Transactions","2001","","24","3617","3626","10.1039/b105485f","","","0.71073","MoKα","","0.0486","0.0306","","","0.0612","0.0687","","","","","","1.049","","","","has coordinates","179813","2020-10-21","18:00:00","" "7010928","21.134","0.004","23.251","0.005","22.64","0.005","90","","106.71","0.03","90","","10655","4","143","2","143","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C87 H138 F9 Lu N4 O24 S3 -","- C87 H136 F9 Lu N4 O24 S3 -","- C348 H544 F36 Lu4 N16 O96 S12 -","4","1","","Flor de Maria Ramírez; Loïc Charbonnière; Gilles Muller; Rosario Scopelliti; Jean-Claude G. Bünzli","A p-tert-butylcalix[4]arene functionalised at its lower rim with ether-amide pendant arms acts as an inorganic‒organic receptor: structural and photophysical properties of its lanthanide complexes","J. Chem. Soc., Dalton Trans.","2001","","21","3205","3213","10.1039/b105513p","","","0.7107","MoKα","","0.1542","0.1082","","","0.2974","0.3209","","","","","","1.112","","","","has coordinates","179813","2020-10-21","18:00:00","" "7010929","13.502","0.001","22.661","0.002","18.792","0.002","90","","101.1","0.01","90","","5642.2","0.9","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C50 H44 Co2 I6 N8 O4 -","- C50 H44 Co2 I6 N8 O4 -","- C200 H176 Co8 I24 N32 O16 -","4","0.5","","Chiari, Brunetto; Cinti, Antonio; Crispu, Ornella; Demartin, Francesco; Pasini, Alessandro; Piovesana, Olivo","Binuclear Co(ii)Co(ii), Co(ii)Co(iii) and Co(iii)Co(iii) complexes of “short” salen homologues derived from the condensation of salicylaldehyde and methanediamine or phenylmethanediamines. Synthesis, structures and magnetismElectronic supplementary information (ESI) available: Appendix, derivation of the expression for the average magnetic susceptibility of a Co(ii)Co(ii) dimer. See http://www.rsc.org/suppdata/dt/b1/b105594c/","Journal of the Chemical Society, Dalton Transactions","2001","","24","3611","","10.1039/b105594c","","","0.71073","MoKα","","0.0556","0.0353","","0.0889","0.0856","","","","0.888","1.05","1.05","","","","","has coordinates","209504","2020-10-21","18:00:00","" "7010930","15.914","0.0009","19.167","0.001","17.252","0.0009","90","0.0009","106.05","0.0009","90","0.0009","5057.1","0.5","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C52 H42 Co2 I3 N6 O4 -","- C52 H42 Co2 I3 N6 O4 -","- C208 H168 Co8 I12 N24 O16 -","4","0.5","","Chiari, Brunetto; Cinti, Antonio; Crispu, Ornella; Demartin, Francesco; Pasini, Alessandro; Piovesana, Olivo","Binuclear Co(ii)Co(ii), Co(ii)Co(iii) and Co(iii)Co(iii) complexes of “short” salen homologues derived from the condensation of salicylaldehyde and methanediamine or phenylmethanediamines. Synthesis, structures and magnetismElectronic supplementary information (ESI) available: Appendix, derivation of the expression for the average magnetic susceptibility of a Co(ii)Co(ii) dimer. See http://www.rsc.org/suppdata/dt/b1/b105594c/","Journal of the Chemical Society, Dalton Transactions","2001","","24","3611","","10.1039/b105594c","","","0.71073","MoKα","","0.0842","0.04","","0.1011","0.0941","","","","0.841","1.083","1.083","","","","","has coordinates","209504","2020-10-21","18:00:00","" "7010935","5.1132","0.0002","13.2742","0.0003","24.2679","0.0007","90","","95.284","0.001","90","","1640.15","0.09","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C14 H14 Ag Cl N4 O6 -","- C14 H14 Ag Cl N4 O6 -","- C56 H56 Ag4 Cl4 N16 O24 -","4","0.5","","Muthu, Sebastian; Yip, John H. K.; Vittal, Jagadese J.","Coordination polymers of d10 metals and N,N'-bis(3-pyridinecarboxamide)-1,2-ethane","Journal of the Chemical Society, Dalton Transactions","2001","","24","3577","","10.1039/b105696b","","","0.71073","MoKα","","0.0269","0.0253","","","0.0625","0.0634","","","","","","1.097","","","","has coordinates","213973","2020-10-21","18:00:00","" "7010936","24.0654","0.0006","5.1239","0.0001","13.9276","0.0002","90","","110.757","0.001","90","","1605.92","0.06","223","2","223","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C14 H14 Ag Cl N4 O6 -","- C14 H14 Ag Cl N4 O6 -","- C56 H56 Ag4 Cl4 N16 O24 -","4","0.5","","Muthu, Sebastian; Yip, John H. K.; Vittal, Jagadese J.","Coordination polymers of d10 metals and N,N'-bis(3-pyridinecarboxamide)-1,2-ethane","Journal of the Chemical Society, Dalton Transactions","2001","","24","3577","","10.1039/b105696b","","","0.71073","MoKα","","0.0254","0.0231","","","0.0625","0.0637","","","","","","1.059","","","","has coordinates","213973","2020-10-21","18:00:00","" "7010937","9.1297","0.0001","9.6318","0.0001","9.8647","0.0001","86.833","0.001","87.1","0.001","89.493","0.001","865.007","0.016","223","2","223","2","","","","","","","","7","P -1","-P 1","2","","","","- C15 H14 Ag F3 N4 O5 S -","- C15 H14 Ag F3 N4 O5 S -","- C30 H28 Ag2 F6 N8 O10 S2 -","2","1","","Muthu, Sebastian; Yip, John H. K.; Vittal, Jagadese J.","Coordination polymers of d10 metals and N,N'-bis(3-pyridinecarboxamide)-1,2-ethane","Journal of the Chemical Society, Dalton Transactions","2001","","24","3577","","10.1039/b105696b","","","0.71073","MoKα","","0.0268","0.0253","","","0.0666","0.067","","","","","","1.01","","","","has coordinates","213973","2020-10-21","18:00:00","" "7010938","9.0861","0.0001","9.5617","0.0001","10.1841","0.0001","92.612","0.001","98.041","0.001","97.386","0.001","866.99","0.016","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H16.5 Ag N5 O6.25 -","- C14 H16 Ag N5 O6.25 -","- C28 H32 Ag2 N10 O12.5 -","2","1","","Muthu, Sebastian; Yip, John H. K.; Vittal, Jagadese J.","Coordination polymers of d10 metals and N,N'-bis(3-pyridinecarboxamide)-1,2-ethane","Journal of the Chemical Society, Dalton Transactions","2001","","24","3577","","10.1039/b105696b","","","0.71073","MoKα","","0.0284","0.0262","","","0.0705","0.0716","","","","","","1.037","","","","has coordinates","176453","2020-10-21","18:00:00","" "7010939","7.8536","0.0002","12.2091","0.0003","12.386","0.0002","64.587","0.001","77.101","0.001","80.065","0.001","1041.67","0.04","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C30 H39 Cl2 N9 O16 Zn -","- C30 H39 Cl2 N9 O16 Zn -","- C30 H39 Cl2 N9 O16 Zn -","1","0.5","","Muthu, Sebastian; Yip, John H. K.; Vittal, Jagadese J.","Coordination polymers of d10 metals and N,N'-bis(3-pyridinecarboxamide)-1,2-ethane","Journal of the Chemical Society, Dalton Transactions","2001","","24","3577","","10.1039/b105696b","","","0.71073","MoKα","","0.0711","0.0646","","","0.1798","0.1874","","","","","","1.057","","","","has coordinates,has disorder","179813","2020-10-21","18:00:00","" "7010940","17.8353","0.0019","7.5368","0.0008","17.1661","0.0017","90","","112.487","0.002","90","","2132","0.4","223","2","223","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C14 H19 Cd Cl2 N4 O13 -","- C14 H19 Cd Cl2 N4 O13 -","- C56 H76 Cd4 Cl8 N16 O52 -","4","0.5","","Muthu, Sebastian; Yip, John H. K.; Vittal, Jagadese J.","Coordination polymers of d10 metals and N,N'-bis(3-pyridinecarboxamide)-1,2-ethane","Journal of the Chemical Society, Dalton Transactions","2001","","24","3577","","10.1039/b105696b","","","0.71073","MoKα","","0.0684","0.0489","","","0.1088","0.1191","","","","","","1.047","","","","has coordinates","213973","2020-10-21","18:00:00","" "7010941","7.1569","0.0002","10.665","0.0002","13.2643","0.0002","88.496","0.001","88.816","0.001","76.881","0.001","985.57","0.04","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C16 H17 Ag Cl N5 O6 -","- C16 H17 Ag Cl N5 O6 -","- C32 H34 Ag2 Cl2 N10 O12 -","2","1","","Muthu, Sebastian; Yip, John H. K.; Vittal, Jagadese J.","Coordination polymers of d10 metals and N,N'-bis(3-pyridinecarboxamide)-1,2-ethane","Journal of the Chemical Society, Dalton Transactions","2001","","24","3577","","10.1039/b105696b","","","0.71073","MoKα","","0.0723","0.0505","","","0.128","0.1391","","","","","","1.054","","","","has coordinates,has disorder","213973","2020-10-21","18:00:00","" "7010942","19.7739","0.0003","26.2764","0.0006","31.3507","0.0006","90","","103.886","","90","","15813.4","0.5","173","2","173","2","","","","","","","synthesis as described","9","C 1 2/c 1","-C 2yc","15","[PtTiCl{(SiMe3)N(C6H4)P(C6H5)2}3].3.5(C6D6)","","","- C84 H69 Cl D21 N3 P3 Pt Si3 Ti -","- C84 H90 Cl N3 P3 Pt Si3 Ti -","- C672 H720 Cl8 N24 P24 Pt8 Si24 Ti8 -","8","1","","Mokuolu, Q. Folashade; Avent, Anthony G.; Hitchcock, Peter B.; Love, Jason B.","Amidophosphine ligands as constructs for early‒late heterobimetallic complexes; the formation of an anisotropic metallocage†","Journal of the Chemical Society, Dalton Transactions","2001","","18","2551","","10.1039/b105698k","","","0.71073","MoKα","","0.0732","0.0429","","","0.0769","0.0865","","","","","","1.001","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00","" "7010944","17.302","0.004","17.302","0.004","38.128","0.005","90","","90","","90","","11414","4","180","2","180","2","","","","","","","","5","P 41 21 2","P 4abw 2nw","92","","","","- C23 H12 O14 Pt Ru5 -","- C23 H12 O14 Pt Ru5 -","- C368 H192 O224 Pt16 Ru80 -","16","2","","Hermans, Sophie; Khimyak, Tetyana; Johnson, Brian F. G.","High yield synthesis of Ru–Pt mixed-metal cluster compounds","Journal of the Chemical Society, Dalton Transactions","2001","","22","3295","","10.1039/b105844b","","","0.71073","MoKα","","0.0768","0.0433","","0.1101","0.0937","","","","0.694","0.826","0.826","","","","","has coordinates","179813","2020-10-21","18:00:00","" "7010945","17.402","0.0003","13.788","0.0004","26.603","0.0007","90","","106.769","0.0015","90","","6111.7","0.3","180","2","180","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C59 H50 O16 P2 Pt Ru5 -","- C59 H50 O16 P2 Pt Ru5 -","- C236 H200 O64 P8 Pt4 Ru20 -","4","1","","Hermans, Sophie; Khimyak, Tetyana; Johnson, Brian F. G.","High yield synthesis of Ru–Pt mixed-metal cluster compounds","Journal of the Chemical Society, Dalton Transactions","2001","","22","3295","","10.1039/b105844b","","","0.7107","MoKα","","0.0715","0.0432","","","0.0981","0.1081","","","","","","1.044","","","","has coordinates,has disorder","179813","2020-10-21","18:00:00","" "7010946","9.274","0.0003","23.594","0.0008","9.843","0.0002","90","","116.489","0.0018","90","","1927.65","0.1","180","2","180","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C34 H15 O15 P Pt Ru5 -","- C34 H15 O15 P Pt Ru5 -","- C68 H30 O30 P2 Pt2 Ru10 -","2","1","","Hermans, Sophie; Khimyak, Tetyana; Johnson, Brian F. G.","High yield synthesis of Ru–Pt mixed-metal cluster compounds","Journal of the Chemical Society, Dalton Transactions","2001","","22","3295","","10.1039/b105844b","","","0.7107","MoKα","","0.0365","0.0333","","","0.0801","0.0819","","","","","","1.029","","","","has coordinates,has disorder","179813","2020-10-21","18:00:00","" "7010947","10.0384","0.0004","53.54","0.002","10.4442","0.0004","90","","109.278","0.001","90","","5298.5","0.4","180","2","180","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C52 H30 O15 P2 Pt2 Ru5 -","- C52 H30 O15 P2 Pt2 Ru5 -","- C208 H120 O60 P8 Pt8 Ru20 -","4","1","","Hermans, Sophie; Khimyak, Tetyana; Johnson, Brian F. G.","High yield synthesis of Ru–Pt mixed-metal cluster compounds","Journal of the Chemical Society, Dalton Transactions","2001","","22","3295","","10.1039/b105844b","","","0.71069","MoKα","","0.0726","0.06","","","0.1789","0.1968","","","","","","1.086","","","","has coordinates","179813","2020-10-21","18:00:00","" "7010948","16.368","0.007","12.623","0.005","17.37","0.005","90","","112.79","0.02","90","","3309","2","180","2","180","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C25.5 H13 Cl O16 Pt Ru6 -","- C25.5 H13 Cl O16 Pt Ru6 -","- C102 H52 Cl4 O64 Pt4 Ru24 -","4","1","","Hermans, Sophie; Khimyak, Tetyana; Johnson, Brian F. G.","High yield synthesis of Ru–Pt mixed-metal cluster compounds","Journal of the Chemical Society, Dalton Transactions","2001","","22","3295","","10.1039/b105844b","","","0.71069","MoKα","","0.0798","0.0494","","","0.1036","0.116","","","","","","1.018","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00","" "7010949","12.983","0.005","35.475","0.008","18.366","0.007","90","","92.63","0.04","90","","8450","5","180","2","180","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C32 H24 O15 Pt2 Ru6 -","- C32 H24 O15 Pt2 Ru6 -","- C256 H192 O120 Pt16 Ru48 -","8","2","","Hermans, Sophie; Khimyak, Tetyana; Johnson, Brian F. G.","High yield synthesis of Ru–Pt mixed-metal cluster compounds","Journal of the Chemical Society, Dalton Transactions","2001","","22","3295","","10.1039/b105844b","","","0.71073","MoKα","","0.2329","0.1129","","","0.2343","0.2882","","","","","","1.003","","","","has coordinates,has disorder","179813","2020-10-21","18:00:00","" "7010956","11.728","0.004","16.034","0.006","18.486","0.006","76.14","0.03","81.46","0.05","75.21","0.04","3249","2","173","2","123","2","","","","","","","","7","P -1","-P 1","2","","","","- C60 H80 F12 N7 O2.5 P2 Ru -","- C60 H59 F12 N7 O2.5 P2 Ru -","- C120 H118 F24 N14 O5 P4 Ru2 -","2","1","","Encinas, Susana; Morales, Angeles Farran; Barigelletti, Francesco; Barthram, Anita M.; White, Claire M.; Couchman, Samantha M.; Jeffery, John C.; Ward, Michael D.; Grills, David C.; George, Michael W.","Derivatives of the [Ru(bipy)(CN)4]2– chromophore with pendant pyridyl-based binding sites: synthesis, pH dependent-luminescence, and time-resolved infrared spectroscopic studies","Journal of the Chemical Society, Dalton Transactions","2001","","22","3312","","10.1039/b105864a","","","0.71073","MoKα","","0.1601","0.0957","","","0.2363","0.2724","","","","","","1.089","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00","" "7010957","10.7911","0.0015","14.057","0.003","31.308","0.005","90","","98.006","0.012","90","","4702.8","1.4","173","2","173","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C44 H36 Cl2 F12 N10 P2 Pt Ru -","- C44 H36 Cl2 F12 N10 P2 Pt Ru -","- C176 H144 Cl8 F48 N40 P8 Pt4 Ru4 -","4","1","","Encinas, Susana; Morales, Angeles Farran; Barigelletti, Francesco; Barthram, Anita M.; White, Claire M.; Couchman, Samantha M.; Jeffery, John C.; Ward, Michael D.; Grills, David C.; George, Michael W.","Derivatives of the [Ru(bipy)(CN)4]2– chromophore with pendant pyridyl-based binding sites: synthesis, pH dependent-luminescence, and time-resolved infrared spectroscopic studies","Journal of the Chemical Society, Dalton Transactions","2001","","22","3312","","10.1039/b105864a","","","0.71073","MoKα","","0.1042","0.0708","","","0.1287","0.1402","","","","","","1.146","","","","has coordinates","213973","2020-10-21","18:00:00","" "7010970","18.968","0.002","13.709","0.002","19.045","0.002","90","","111.352","0.008","90","","4612.4","1","293.2","","293.2","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C18 H20 B2 Mn -","- C18 H20 B2 Mn0.5 N12 -","- C144 H160 B16 Mn4 N96 -","8","1","","Kitano, Tsuyoshi; Sohrin, Yoshiki; Hata, Yasuo; Kawakami, Hitoshi; Hori, Takeyoshi; Ueda, Kazumasa","Selectivity of sterically efficient [HB(pz)3]- and crowded [B(pz)4]- for first-series transition metals and Cd","Journal of the Chemical Society, Dalton Transactions","2001","","24","3564","3571","10.1039/b106006f","","","1.5418","CuKα","","","0.0662","","","0.0828","","","","","1.586","1.586","","","","","has coordinates","275301","2022-05-10","09:50:25","" "7010971","7.741","0.002","9.872","0.002","17.991","0.001","90","","92.094","0.01","90","","1373.9","0.5","293.2","","293.2","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H24 B2 Mn N16 -","- C24 H24 B2 Mn0.5 N16 -","- C48 H48 B4 Mn N32 -","2","0.5","","Kitano, Tsuyoshi; Sohrin, Yoshiki; Hata, Yasuo; Kawakami, Hitoshi; Hori, Takeyoshi; Ueda, Kazumasa","Selectivity of sterically efficient [HB(pz)3]- and crowded [B(pz)4]- for first-series transition metals and Cd","Journal of the Chemical Society, Dalton Transactions","2001","","24","3564","3571","10.1039/b106006f","","","1.5418","CuKα","","","0.047","","","0.0591","","","","","1.268","1.268","","","","","has coordinates","288197","2023-12-08","18:09:39","" "7010972","12.09","0.002","12.279","0.002","9.773","0.001","95.42","0.01","102.85","0.01","100","0.01","1379.6","0.4","293.2","","293.2","","","","","","","","","5","P -1","-P 1","2","","","","- C24 H24 B2 Co N16 -","- C24 H24 B2 Co0.5 N16 -","- C48 H48 B4 Co N32 -","2","1","","Kitano, Tsuyoshi; Sohrin, Yoshiki; Hata, Yasuo; Kawakami, Hitoshi; Hori, Takeyoshi; Ueda, Kazumasa","Selectivity of sterically efficient [HB(pz)3]- and crowded [B(pz)4]- for first-series transition metals and Cd","Journal of the Chemical Society, Dalton Transactions","2001","","24","3564","3571","10.1039/b106006f","","","1.5418","CuKα","","","0.0541","","","0.0678","","","","","1.734","1.734","","","","","has coordinates","288197","2023-12-08","18:09:39","" "7010973","12.041","0.002","12.285","0.002","9.723","0.001","95.6","0.01","102.47","0.01","99.91","0.01","1369.7","0.4","293.2","","293.2","","","","","","","","","5","P -1","-P 1","2","","","","- C24 H24 B2 N16 Ni -","- C24 H24 B2 N16 Ni0.5 -","- C48 H48 B4 N32 Ni -","2","1","","Kitano, Tsuyoshi; Sohrin, Yoshiki; Hata, Yasuo; Kawakami, Hitoshi; Hori, Takeyoshi; Ueda, Kazumasa","Selectivity of sterically efficient [HB(pz)3]- and crowded [B(pz)4]- for first-series transition metals and Cd","Journal of the Chemical Society, Dalton Transactions","2001","","24","3564","3571","10.1039/b106006f","","","1.5418","CuKα","","","0.0364","","","0.0559","","","","","1.681","1.681","","","","","has coordinates","288197","2023-12-08","18:09:39","" "7010974","12.03","0.001","12.516","0.002","9.567","0.001","90.19","0.01","101.749","0.009","78.812","0.01","1382.5","0.3","293.2","","293.2","","","","","","","","","5","P -1","-P 1","2","","","","- C24 H24 B2 Cu N16 -","- C24 H24 B2 Cu0.5 N16 -","- C48 H48 B4 Cu N32 -","2","1","","Kitano, Tsuyoshi; Sohrin, Yoshiki; Hata, Yasuo; Kawakami, Hitoshi; Hori, Takeyoshi; Ueda, Kazumasa","Selectivity of sterically efficient [HB(pz)3]- and crowded [B(pz)4]- for first-series transition metals and Cd","Journal of the Chemical Society, Dalton Transactions","2001","","24","3564","3571","10.1039/b106006f","","","1.5418","CuKα","","","0.0395","","","0.0557","","","","","1.585","1.585","","","","","has coordinates","288197","2023-12-08","18:09:39","" "7010975","12.1261","0.0009","12.2786","0.0009","9.8093","0.0007","95.25","0.006","103.163","0.006","100.019","0.006","1387.31","0.18","293.2","","293.2","","","","","","","","","5","P -1","-P 1","2","","","","- C24 H24 B2 N16 Zn -","- C24 H24 B2 N16 Zn0.5 -","- C48 H48 B4 N32 Zn -","2","1","","Kitano, Tsuyoshi; Sohrin, Yoshiki; Hata, Yasuo; Kawakami, Hitoshi; Hori, Takeyoshi; Ueda, Kazumasa","Selectivity of sterically efficient [HB(pz)3]- and crowded [B(pz)4]- for first-series transition metals and Cd","Journal of the Chemical Society, Dalton Transactions","2001","","24","3564","3571","10.1039/b106006f","","","1.5418","CuKα","","","0.0439","","","0.0544","","","","","1.573","1.573","","","","","has coordinates","288197","2023-12-08","18:09:39","" "7010980","18.582","0.005","6.952","0.002","15.511","0.005","90","","90","","90","","2003.7","1","223","2","223","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C20 H28 B2 N4 -","- C20 H28 B2 N4 -","- C80 H112 B8 N16 -","4","0.5","","Weber, Lothar; Schnieder, Markus; Lönnecke, Peter","Alkali metal reduction of 2-halogeno- and 2-thiolato-2,3-dihydro-1H-1,3,2-diazaboroles","Journal of the Chemical Society, Dalton Transactions","2001","","23","3459","","10.1039/b106128n","","","0.71073","MoKα","","0.0659","0.0429","","","0.1135","0.1295","","","","","","1.036","","","","has coordinates","213973","2020-10-21","18:00:00","" "7011043","15.471","0.004","25.898","0.009","28.726","0.006","90","","90","","90","","11510","6","293","2","293","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C55 H66 Cl Co3 N5 P2 S3 -","- C55 H64 Cl Co3 N5 P2 S3 -","- C440 H512 Cl8 Co24 N40 P16 S24 -","8","1","","Fan, Xiaoling; Cao, Rong; Hong, Maochun; Su, Weiping; Sun, Daofeng","A novel trinuclear cobalt complex comprising moieties derived from single and double C–S bond cleavage of diethyldithiocarbamate","Journal of the Chemical Society, Dalton Transactions","2001","","20","2961","","10.1039/b107017g","","","0.71073","MoKα","","0.1997","0.0807","","","0.1354","0.1798","","","","","","1.069","","","","has coordinates","213973","2020-10-21","18:00:00","" "7011074","17.7244","0.0002","14.7931","0.0003","20.5958","0.0003","90","","90","","90","","5400.19","0.15","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C46 H52 Br6 Co2 N4 O8 -","- C46 H52 Br6 Co2 N4 O8 -","- C184 H208 Br24 Co8 N16 O32 -","4","0.5","","Davidson, Gregory J. E.; Loeb, Stephen J.; Parekh, Neal A.; Wisner, James A.","Zwitterionic [2]rotaxanes utilising anionic transition metal stoppers","Journal of the Chemical Society, Dalton Transactions","2001","","21","3135","","10.1039/b107257a","","","0.71073","MoKα","","0.1852","0.1198","","","0.3007","0.3532","","","","","","1.087","","","","has coordinates,has disorder","213973","2020-10-21","18:00:00","" "7011075","17.893","0.002","14.854","0.002","20.799","0.003","90","","90","","90","","5528","1.3","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C46 H52 Br6 Mn2 N4 O8 -","- C46 H52 Br6 Mn2 N4 O8 -","- C184 H208 Br24 Mn8 N16 O32 -","4","0.5","","Davidson, Gregory J. E.; Loeb, Stephen J.; Parekh, Neal A.; Wisner, James A.","Zwitterionic [2]rotaxanes utilising anionic transition metal stoppers","Journal of the Chemical Society, Dalton Transactions","2001","","21","3135","","10.1039/b107257a","","","0.71073","MoKα","","0.0632","0.0395","","","0.105","0.1155","","","","","","0.972","","","","has coordinates,has disorder","213973","2020-10-21","18:00:00","" "7011076","11.959","0.001","14.731","0.001","17.536","0.002","90","","115.269","0.002","90","","2793.7","0.4","150","","150","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C18 H43 Cl3 Co N8 O7.5 Zn -","- C18 H42 Cl3 Co N8 O7.5 Zn -","- C72 H168 Cl12 Co4 N32 O30 Zn4 -","4","1","","Donnelly, Paul S.; Harrowfield, Jack M.; Skelton, Brian W.; White, Allan H.","Chirality in coordination polymers: homo- vs. hetero-chiral strand construction","Journal of the Chemical Society, Dalton Transactions","2001","","20","3078","","10.1039/b107369a","","","0.71073","MoKα","","0.067","0.045","","0.053","","0.048","","","1.059","","","1.127","","","","has coordinates","176432","2020-10-21","18:00:00","" "7011077","11.983","0.001","9.3804","0.0008","14.72","0.001","90","","100.577","0.002","90","","1626.5","0.2","150","","150","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C18 H53 Cl3 Co2 N8 O12.5 -","- C18 H44 Cl3 Co2 N8 O12.5 -","- C36 H88 Cl6 Co4 N16 O25 -","2","0.5","","Donnelly, Paul S.; Harrowfield, Jack M.; Skelton, Brian W.; White, Allan H.","Chirality in coordination polymers: homo- vs. hetero-chiral strand construction","Journal of the Chemical Society, Dalton Transactions","2001","","20","3078","","10.1039/b107369a","","","0.71073","MoKα","","0.06","0.048","","0.055","","0.048","","","1.505","","","1.497","","","","has coordinates","176432","2020-10-21","18:00:00","" "7011078","12.495","0.002","15.356","0.002","20.682","0.003","90","","106.232","0.002","90","","3810.1","1","153","","153","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C18 H57.35 Cl3.65 Co Mn1.325 N8 O15.675 -","- C18 H36 Cl3.6498 Co Mn1.3249 N8 O15.6751 -","- C72 H144 Cl14.5992 Co4 Mn5.2996 N32 O62.7004 -","4","1","","Donnelly, Paul S.; Harrowfield, Jack M.; Skelton, Brian W.; White, Allan H.","Chirality in coordination polymers: homo- vs. hetero-chiral strand construction","Journal of the Chemical Society, Dalton Transactions","2001","","20","3078","","10.1039/b107369a","","","0.71073","MoKα","","0.08","0.064","","0.081","","0.077","","","1.262","","","1.346","","","","has coordinates","176432","2020-10-21","18:00:00","" "7011079","12.303","0.002","15.336","0.002","20.73","0.003","90","","106.226","0.003","90","","3755.5","1","153","","153","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C18 H55 Cl5 Co Mn2 N8 O13.5 -","- C18 H35 Cl5 Co Mn2 N8 O13.5 -","- C72 H140 Cl20 Co4 Mn8 N32 O54 -","4","1","","Donnelly, Paul S.; Harrowfield, Jack M.; Skelton, Brian W.; White, Allan H.","Chirality in coordination polymers: homo- vs. hetero-chiral strand construction","Journal of the Chemical Society, Dalton Transactions","2001","","20","3078","","10.1039/b107369a","","","0.71073","MoKα","","0.127","0.084","","0.143","","0.101","","","2.362","","","1.931","","","","has coordinates","176432","2020-10-21","18:00:00","" "7011106","18.834","0.002","26.405","0.003","18.3","0.002","97.249","0.009","102.212","0.008","94.503","0.009","8771.7","1.7","293","2","293","2","","","","","","","","5","F -1","-F 1","2","mathieu1","","","- C9 H6 Fe2 O7 S2 -","- C9 H6 Fe2 O7 S2 -","- C216 H144 Fe48 O168 S48 -","24","","","Razavet, Mathieu; Cloirec, Alban Le; Davies, Sian C.; Hughes, David L.; Pickett, Christopher J.","X-Ray crystallographic analysis of D,L-[Fe2{SCH2CH(CH2OH)S}(CO)6] reveals a hydrogen-bonded cyclic hexamer with ordered optical centres","Journal of the Chemical Society, Dalton Transactions","2001","","24","3551","","10.1039/b107595k","","","0.71069","Mo-Kα","","0.054","0.0314","","0.079","0.0675","","","","1.044","1.096","1.096","","","","","has coordinates","208305","2020-10-21","18:00:00","" "7011116","7.472","0.002","21.77","0.007","9.297","0.002","90","","96.01","0.01","90","","1504","0.7","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C14 H32 Cu N14 Ni2 S6 -","- C14 H32 Cu N14 Ni2 S6 -","- C28 H64 Cu2 N28 Ni4 S12 -","2","0.5","","Shen, Liang; Xu, Yun-Zhi","Structure and magnetic properties of a novel two-dimensional thiocyanato-bridged heterometallic polymer {Cu(en)2[Ni(en)(SCN)3]2}n","Journal of the Chemical Society, Dalton Transactions","2001","","23","3413","","10.1039/b107865h","","","0.71073","MoKα","","0.0365","0.0275","","","0.0663","0.068","","","","","","0.972","","","","has coordinates,has disorder","179815","2020-10-21","18:00:00","" "7011117","9.004","0.005","9.004","0.005","18.119","0.012","90","","90","","120","","1272.1","1.3","150","2","150","2","","","","","","","","7","P -3","-P 3","147","","","","- C30 H68 Cl2 Mn2 N8 Na4 O25 -","- C30 H68.04 Cl2 Mn2 N8 Na4 O25 -","- C30 H68.04 Cl2 Mn2 N8 Na4 O25 -","1","0.166667","","Dan M. J. Doble; Alexander J. Blake; Wan-Sheung Li; Martin Schröder","Na±Mediated aggregation of imino-carboxylate transition metal complexes","J. Chem. Soc., Dalton Trans.","2001","","21","3137","3139","10.1039/b107873a","","","0.71073","MoKα","","0.0403","0.0345","","","0.0879","0.0935","","","","","","1.084","","","","has coordinates,has disorder","179815","2020-10-21","18:00:00","" "7011118","10.094","0.003","11.423","0.005","12.613","0.003","104.16","0.04","107.27","0.03","106.27","0.03","1245","0.9","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C36 H66 Mn2 N8 Na2 O18 -","- C35.98 H58 Mn2 N8 Na2 O17.98 -","- C35.98 H58 Mn2 N8 Na2 O17.98 -","1","0.5","","Dan M. J. Doble; Alexander J. Blake; Wan-Sheung Li; Martin Schröder","Na±Mediated aggregation of imino-carboxylate transition metal complexes","J. Chem. Soc., Dalton Trans.","2001","","21","3137","3139","10.1039/b107873a","","","0.71073","MoKα","","0.0533","0.0494","","","0.131","0.1366","","","","","","1.068","","","","has coordinates,has disorder","211332","2020-10-21","18:00:00","" "7011119","10.062","0.004","11.572","0.004","12.334","0.01","65.02","0.04","66.08","0.04","71.21","0.03","1170.1","1.2","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C30 H62 Mn2 N8 Na2 O22 -","- C30 H42 Mn2 N8 Na2 O22 -","- C30 H42 Mn2 N8 Na2 O22 -","1","0.5","","Dan M. J. Doble; Alexander J. Blake; Wan-Sheung Li; Martin Schröder","Na±Mediated aggregation of imino-carboxylate transition metal complexes","J. Chem. Soc., Dalton Trans.","2001","","21","3137","3139","10.1039/b107873a","","","0.71073","MoKα","","0.0679","0.0605","","","0.1589","0.1697","","","","","","1.06","","","","has coordinates,has disorder","211332","2020-10-21","18:00:00","" "7011120","9.369","0.003","9.369","0.003","28.603","0.006","90","","90","","120","","2174.3","1.1","150","2","150","2","","","","","","","","8","P 3 1 c","P 3 -2c","159","","","","- C15 H21 B F4 N4 Na2 Ni O6 -","- C15 H21 B F4 N4 Na2 Ni O6 -","- C60 H84 B4 F16 N16 Na8 Ni4 O24 -","4","0.666667","","Dan M. J. Doble; Alexander J. Blake; Wan-Sheung Li; Martin Schröder","Na±Mediated aggregation of imino-carboxylate transition metal complexes","J. Chem. Soc., Dalton Trans.","2001","","21","3137","3139","10.1039/b107873a","","","0.71073","MoKα","","0.0801","0.0694","","","0.1749","0.1885","","","","","","1.056","","","","has coordinates,has disorder","290444","2024-03-12","09:55:29","" "7011155","18.2642","0.0003","13.2268","0.0001","31.5765","0.0005","90","","97.135","0.005","90","","7569.1","0.2","120","2","120","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","[Rh8Pt2(CO)21(dppm)2].1/2(CH3OH)","","","- C71.5 H46 O21.5 P4 Pt2 Rh8 -","- C71.5 H45.5 O21.5 P4 Pt2 Rh8 -","- C286 H182 O86 P16 Pt8 Rh32 -","4","1","","Igor O. Koshevoy; Sergey P. Tunik; Sirpa Jääskeläinen; Matti Haukka; Tapani A. Pakkanen","Linkage of heteronuclear rhodium‒platinum clusters","J. Chem. Soc., Dalton Trans.","2001","","20","2965","2967","10.1039/b108224h","","","0.71073","MoKα","","0.0341","0.0244","","","0.0451","0.0475","","","","","","1.032","","","","has coordinates","176453","2020-10-21","18:00:00","" "7011156","13.6211","0.0002","16.1772","0.0001","24.2056","0.0003","109.133","0.001","93.089","0.001","109.214","0.001","4679.54","0.11","120","2","120","2","","","","","","","","7","P -1","-P 1","2","[Rh6Pt4(CO)16(dppm)3].3/2(CH2CL2)","","","- C92.5 H69 Cl3 O16 P6 Pt4 Rh6 -","- C92.5 H68 Cl3 O16 P6 Pt4 Rh6 -","- C185 H136 Cl6 O32 P12 Pt8 Rh12 -","2","1","","Igor O. Koshevoy; Sergey P. Tunik; Sirpa Jääskeläinen; Matti Haukka; Tapani A. Pakkanen","Linkage of heteronuclear rhodium‒platinum clusters","J. Chem. Soc., Dalton Trans.","2001","","20","2965","2967","10.1039/b108224h","","","0.71073","MoKα","","0.0282","0.0233","","","0.0528","0.0548","","","","","","1.034","","","","has coordinates","176453","2020-10-21","18:00:00","" "7011171","21.9946","0.0004","21.9946","0.0004","12.4171","0.0004","90","","90","","120","","5202.2","0.2","293","2","293","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C4.5 H25 Mo6 N5 O27.5 -","- C4.51 H3 Mo6 N5.03 O27.51 -","- C27.06 H18 Mo36 N30.18 O165.06 -","6","0.333333","","Manos, Manolis J.; Keramidas, Anastasios D.; Woollins, J. Derek; Slawin, Alexandra M. Z.; Kabanos, Themistoklis A.","The first polyoxomolybdenum carbonate compound: Synthesis and crystal structure of (NH4)5[(Mo2VO4)3(µ6-CO3)(µ-CO3)3(µ-OH)3]·0.5CH3OH 1","Journal of the Chemical Society, Dalton Transactions","2001","","23","3419","","10.1039/b108430p","","","0.71073","MoKα","","0.056","0.0445","","0.1831","0.1238","","","","1.059","1.08","1.08","","","","","has coordinates","176453","2020-10-21","18:00:00","" "7011173","13.18","0.01","13.64","0.01","11.68","0.01","113.32","0.06","97.29","0.04","69.43","0.03","1805","3","110.2","","","","","","","","","","","7","P -1","-P 1","2","","","","- C24 H26 F6 N9 O11 P Pd2 -","- C24 H16 F6 N9 O11 P Pd2 -","- C48 H32 F12 N18 O22 P2 Pd4 -","2","1","","Yu, Shu-Yan; Fujita, Makoto; Yamaguchi, Kentaro","A dimer-to-dimer metal‒metal linear aggregate from a (µ-1,3-NO3)2 double-bridged cis-(2,2'-bipyridine)palladium(ii) cofacial dimer","Journal of the Chemical Society, Dalton Transactions","2001","","23","3415","","10.1039/b108470b","","","0.7107","MoKα","","","0.0717","","","","0.0919","","","","","","2.88","","","","has coordinates","176453","2020-10-21","18:00:00","" "7011188","9.4844","0.0003","13.9433","0.0004","21.7799","0.0007","90","","94.2167","0.0013","90","","2872.46","0.15","120","2","120","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C23 H25 Br4 Cl2 O P Te -","- C23 H25 Br4 Cl2 O P Te -","- C92 H100 Br16 Cl8 O4 P4 Te4 -","4","1","","Kunnari, Sari M.; Oilunkaniemi, Raija; Laitinen, Risto S.; Ahlgrén, Markku","An unexpected tetrahydrofuran ring opening: synthesis and structural characterization of Ph3PO(CH2)4TeBr4","Journal of the Chemical Society, Dalton Transactions","2001","","23","3417","","10.1039/b108790h","","","0.71073","MoKα","","0.0785","0.0589","","","0.0939","0.0984","","","","","","1.276","","","","has coordinates","179815","2020-10-21","18:00:00","" "7011246","20.301","0.002","30.908","0.002","19.427","0.002","90","","103.992","0.003","90","","11828.1","1.9","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C99 H155.5 Cl7.5 N9 O24.5 U3 -","- C99 H134.5 Cl7.5 N9 O24.5 U3 -","- C396 H538 Cl30 N36 O98 U12 -","4","1","","Thuéry, Pierre; Nierlich, Martine; Vicens, Jacques; Masci, Bernardo","Uranyl ions as supramolecular linkers in a bis(hexahomotrioxacalix[6]arene) hexa-uranate complex","Journal of the Chemical Society, Dalton Transactions","2001","","23","3410","","10.1039/b109451n","","","0.71073","MoKα","","0.2343","0.0817","","","0.1271","0.1752","","","","","","0.976","","","","has coordinates","176453","2020-10-21","18:00:00","" "7011247","18.162","0.002","18.97","0.002","21.002","0.0014","80.992","0.007","85.442","0.007","61.773","0.004","6296.6","1.1","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C104 H159 Cl N12 O20 U3 -","- C104 H107 Cl N12 O20 U3 -","- C208 H214 Cl2 N24 O40 U6 -","2","1","","Thuéry, Pierre; Nierlich, Martine; Vicens, Jacques; Masci, Bernardo","Uranyl ions as supramolecular linkers in a bis(hexahomotrioxacalix[6]arene) hexa-uranate complex","Journal of the Chemical Society, Dalton Transactions","2001","","23","3410","","10.1039/b109451n","","","0.71073","MoKα","","0.1869","0.0812","","","0.1647","0.209","","","","","","0.965","","","","has coordinates","213973","2020-10-21","18:00:00","" "7037799","12.375","","21.356","","15.887","","90","","92.11","","90","","4195.78","","","","","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","K10 (Mn4 (H2 O)2 (As W9 O34)2) (H2 O)18","","- As2 H40 K10 Mn4 O88 W18 -","- As2 K10 Mn4 O88 W18 -","- As4 K20 Mn8 O176 W36 -","2","0.5","","Bi, L.H.; Wang, Y.-H.; Huang, R.-D.; Peng, J.; Hu, C.-W.; Wang, E.-B.","Rational syntheses, characterization, crystal structure, and replacement reactions of coordinated water molecules of (As2 W18 M4 (H2 O)2 O68)(10-) (M = Cd, Co, Cu, Fe, Mn, Ni or Zn)","Journal of the Chemical Society. Dalton Transactions","2001","2001","","121","129","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "7037800","11.858","","12.525","","17.107","","82.82","","71.26","","81.79","","2372.91","","","","","","","","","","","","","7","P -1","-P 1","2","","K8 Na2 (Cu4 (H2 O)2 (As W9 O34)2) (H2 O)32","","- As2 Cu4 H68 K8 Na2 O102 W18 -","- As2 Cu4 K8 Na2 O102 W18 -","- As2 Cu4 K8 Na2 O102 W18 -","1","0.5","","Bi, L.H.; Peng, J.; Huang, R.-D.; Wang, E.-B.; Hu, C.-W.; Wang, Y.-H.","Rational syntheses, characterization, crystal structure, and replacement reactions of coordinated water molecules of (As2 W18 M4 (H2 O)2 O68)(10-) (M = Cd, Co, Cu, Fe, Mn, Ni or Zn)","Journal of the Chemical Society. Dalton Transactions","2001","2001","","121","129","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "7037801","18.586","","20.544","","12.877","","99.5","","105.71","","105.54","","4407.97","","","","","","","","","","","","","6","P -1","-P 1","2","","K10 H2 (P2 W18 Ti6 O77) (H2 O)17","","- H36 K10 O94 P2 Ti6 W18 -","- K9.5 O94 P2 Ti6 W18 -","- K19 O188 P4 Ti12 W36 -","2","1","","Nomiya, K.; Takahashi, M.; Ohsawa, K.; Widegren, J.A.","Synthesis and characterization of tri-titanium(IV)-1,2,3- substituted alpha-Keggin polyoxotungstates with hetero- atoms P and Si. Crystal structure of the dimeric, Ti-O-Ti bridged anhydride form K10 h2 (alpha,alpha-P2 W18 Ti6 O77) * 17(H2 O) and confirmation of dimeric forms in aqueous solution by ultracentrifugation molecular weight measurements","Journal of the Chemical Society. Dalton Transactions","2001","2001","","2872","2878","","","","","","","","","","","","","","","","","","","","","","has coordinates","172868","2020-10-21","18:00:00","" "7037802","24.827","","8.592","","12.294","","90","","90","","90","","2622.48","","","","","","","","","","","","","3","P n a 21","P 2c -2n","33","","Mo O2 (S O4)","","- Mo O6 S -","- Mo O6 S -","- Mo24 O144 S24 -","24","6","","Christiansen, A.F.; Fjellvag, H.; Kjekshus, A.; Klewe, B.","Synthesis and characterization of molybdenum(VI) oxide sulfates and crystal structures of two polymorphs of Mo O2 (S O4)","Journal of the Chemical Society. Dalton Transactions","2001","2001","","806","815","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "7037803","26.33589","","12.2901","","8.5892","","90","","104.48","","90","","2691.76","","","","","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","Mo O2 (S O4)","","- Mo O6 S -","- Mo O6 S -","- Mo24 O144 S24 -","24","3","","Christiansen, A.F.; Fjellvag, H.; Kjekshus, A.; Klewe, B.","Synthesis and characterisation of molybdenum(VI) oxide sulfates and crystal structures of two polymorphs of Mo O2 (S O4)","Journal of the Chemical Society. Dalton Transactions","2001","2001","","806","815","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "7038889","8.371","0.005","10.844","0.005","13.407","0.005","66.954","0.005","80.26","0.005","73.6","0.005","1072","0.9","163","2","163","2","","","","","","","","7","P -1","-P 1","2","","","","- C18 H18 Ag Cl N4 O4 S2 -","- C18 H18 Ag Cl N4 O4 S2 -","- C36 H36 Ag2 Cl2 N8 O8 S4 -","2","1","","Caradoc-Davies, Paula L.; Hanton, Lyall R.; Henderson, William","Coordination polymers and isomerism; a study using silver(I) and a π-stacked ligand","Journal of the Chemical Society, Dalton Transactions","2001","","19","2749","2755","10.1039/b104284j","","","0.71069","MoKα","","0.0331","0.031","","","0.0851","0.0865","","","","","","1.046","","","","has coordinates","180574","2020-10-21","18:00:00","" "7051011","13.152","0.002","18.72","0.003","20.918","0.003","90","","99.4","0.02","90","","5081","1.4","120","","","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C44.5 H27 B4 Cl3 F24 O Ta -","- C44.5 H27 B Cl3 F24 O Ta -","- C178 H108 B4 Cl12 F96 O4 Ta4 -","4","1","","Sabo-Etienne, Sylviane; Rodriguez, Venancio; Donnadieu, Bruno; Chaudret, Bruno; Abou el Makarim, Hassna; Barthelat, Jean-Claude; Ulrich, Stefan; Limbach, Hans-Heinrich; Moïse, Claude","Synthesis, X-ray crystal structure, NMR characterization and theoretical calculations on [Cp2Ta(η2-H2)(CO)]+, the first thermally stable group 5 dihydrogen complex","New Journal of Chemistry","2001","25","1","55","","10.1039/b002073g","","","0.71073","MoK(","","","0.0512","","","0.0623","","","","","0.9868","0.9868","","","","","has coordinates","180064","2020-10-21","18:00:00","" "7051012","10.844","0.002","20.697","0.004","22.722","0.005","91.629","0.013","91.462","0.013","101.89","0.012","4985.7","1.7","293","2","293","2","","","","","","","","6","P -1","-P 1","2","Bis-(Methyltropp)rhodium-hexafluorophosphate","","","- C58 H49 F6 N P3 Rh -","- C58 H49 F6 N P3 Rh -","- C232 H196 F24 N4 P12 Rh4 -","4","2","","Deblon, Stephan; Rüegger, Heinz; Schönberg, Hartmut; Loss, Sandra; Gramlich, Volker; Grützmacher, Hansjörg","Highly distorted d8-rhodium(+I) and d10-rhodium(-I) complexes: synthesis, reactivity, and structures in solution and solid state","New Journal of Chemistry","2001","25","1","83","","10.1039/b002906h","","","0.71073","MoKα","","0.0706","0.0361","","0.0769","0.0721","","","","0.751","0.964","0.964","","","","","has coordinates","180064","2020-10-21","18:00:00","" "7051013","45.899","0.051","10.159","0.01","19.773","0.019","90","","102.27","0.08","90","","9009","16","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","Allyltropp-methyltropp-rhodium","","","- C56.5 H45.5 Cl1.5 P2 Rh -","- C56.5 H45.5 Cl1.5 P2 Rh -","- C452 H364 Cl12 P16 Rh8 -","8","1","","Deblon, Stephan; Rüegger, Heinz; Schönberg, Hartmut; Loss, Sandra; Gramlich, Volker; Grützmacher, Hansjörg","Highly distorted d8-rhodium(+I) and d10-rhodium(-I) complexes: synthesis, reactivity, and structures in solution and solid state","New Journal of Chemistry","2001","25","1","83","","10.1039/b002906h","","","1.54178","CuKα","","0.0605","0.0455","","0.1218","0.1132","","","","1.073","1.122","1.122","","","","","has coordinates","176453","2020-10-21","18:00:00","" "7051014","17.293","0.002","9.7528","0.0013","17.6784","0.0006","90","","115.284","0.0009","90","","2695.9","0.5","180.2","","180.2","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C32 H30 N2 O2 P2 Pd -","- C32 H30 N2 O2 P2 Pd -","- C128 H120 N8 O8 P8 Pd4 -","4","1","","Pierre Braunstein; Frédéric Naud; Steven J. Rettig","A new class of anionic phosphinooxazoline ligands in palladium and ruthenium complexes: catalytic properties for the transfer hydrogenation of acetophenone","New J. Chem.","2001","25","1","32","39","10.1039/b004786o","","","0.7107","MoKα","","0.0773","0.0773","","0.0675","","0.0675","","","1.365","","","1.365","","","","has coordinates","176453","2020-10-21","18:00:00","" "7051015","9.743","0.002","13.474","0.007","18.902","0.011","90","","107.08","0.03","90","","2372","2","125","2","125","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","choline tetraphenylborate","","- C29 H34 B N O -","- C29 H34 B N O -","- C116 H136 B4 N4 O4 -","4","1","","Steiner, Thomas; Schreurs, Antoine M. M.; Lutz, Martin; Kroon, Jan","Making very short O‒H···Ph hydrogen bonds: the example of tetraphenylborate salts","New Journal of Chemistry","2001","25","1","174","","10.1039/b004932h","","","0.71073","MoKα","","0.1526","0.0871","","","0.1811","0.2231","","","","","","1.144","","","","has coordinates","202017","2020-10-21","18:00:00","" "7051016","11.2759","0.0006","11.6163","0.0004","13.0526","0.0006","69.066","0.003","70.612","0.002","61.747","0.003","1378.77","0.12","125","2","125","2","","","","","","","","5","P -1","-P 1","2","","triethanolammonium tetraphenylborate dihydrate","","- C30 H40 B N O5 -","- C30 H40 B N O5 -","- C60 H80 B2 N2 O10 -","2","1","","Steiner, Thomas; Schreurs, Antoine M. M.; Lutz, Martin; Kroon, Jan","Making very short O‒H···Ph hydrogen bonds: the example of tetraphenylborate salts","New Journal of Chemistry","2001","25","1","174","","10.1039/b004932h","","","0.71073","MoKα","","0.0692","0.0509","","","0.1121","0.1246","","","","","","1.054","","","","has coordinates","202017","2020-10-21","18:00:00","" "7051017","33.832","0.016","10.11","0.02","17.45","0.04","90","","117.75","0.005","90","","5282","16","125","2","125","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","6-ammonium-n-hexanoic acid tetraphenylborate monohydrate","","- C30 H36 B N O3 -","- C30 H36 B N O3 -","- C240 H288 B8 N8 O24 -","8","1","","Steiner, Thomas; Schreurs, Antoine M. M.; Lutz, Martin; Kroon, Jan","Making very short O‒H···Ph hydrogen bonds: the example of tetraphenylborate salts","New Journal of Chemistry","2001","25","1","174","","10.1039/b004932h","","","0.71073","MoKα","","0.0812","0.0553","","","0.125","0.1408","","","","","","1.104","","","","has coordinates","202017","2020-10-21","18:00:00","" "7051018","7.455","0.003","10.0294","0.0013","10.568","0.005","90","","109.2","0.02","90","","746.2","0.5","123","2","123","2","","","","","","","","5","P 1 21 1","P 2yb","4","ferroceneylaspartic acid","","","- C15 H15.668 Fe N O5.334 -","- C15 H15 Fe N O5.334 -","- C30 H30 Fe2 N2 O10.668 -","2","1","","Baker, Murray V.; Kraatz, Heinz-Bernhard; Wilson Quail, J.","Solvent effects on the redox properties of ferrocenoyl-dipeptides","New Journal of Chemistry","2001","25","3","427","","10.1039/b005125j","","","0.71069","MoKα","","0.0296","0.0216","","","0.0544","0.0565","","","","","","1.042","","","","has coordinates","176432","2020-10-21","18:00:00","" "7051019","8.892","0.001","8.892","0.001","8.892","0.001","65.63","0.017","65.63","0.017","65.63","0.017","557.92","0.15","293","2","293","2","","","","","","","","6","R -3 :R","-P 3*","148","K[Re6Se5Cl9](H2O)2","potassium penta-μ~eq~3-seleno-tri-μ~eq~3-chloro- hexachloro-octahedro-hexarhenate(III) dihydrate","","- Cl9 H4 K O2 Re6 Se5 -","- Cl8.9 K O2 Re6 Se5.078 -","- Cl8.9 K O2 Re6 Se5.078 -","1","0.166667","","Santiago Uriel; Kamal Boubekeur; Patrick Batail; Jesus Orduna; André Perrin","Inertness of the [Re6Se5Cl3]5+ cluster core to substitution by OH− in organic solutions: synthesis, structural and liquid secondary ion mass spectroscopy characterization of K(H2O)2[Re6Se5Cl9] and (n-Bu4N)[Re6Se5Cl9] and the crystal structure of (n-Bu4N)2[Re6Se6Cl8]","New J. Chem.","2001","25","5","737","740","10.1039/b005231k","","","0.71073","MoKα","","0.0577","0.0401","","","0.0489","0.0558","","","","","","0.872","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00","" "7051020","10.775","0.002","17.101","0.003","10.602","0.002","100.83","0.03","99.62","0.03","87.51","0.03","1891.6","0.7","293","2","293","2","","","","","","","","6","P -1","-P 1","2","(nBu4N)[Re6Se5Cl9]","tetra-n-butylammonium penta-μ~eq~3-seleno-tri-μ~eq~3-chloro- hexachloro-octahedro-hexarhenate(III)","","- C16 H36 Cl9 N Re6 Se5 -","- C16 H36 Cl9.05 N Re6 Se4.95 -","- C32 H72 Cl18.1 N2 Re12 Se9.9 -","2","1","","Santiago Uriel; Kamal Boubekeur; Patrick Batail; Jesus Orduna; André Perrin","Inertness of the [Re6Se5Cl3]5+ cluster core to substitution by OH− in organic solutions: synthesis, structural and liquid secondary ion mass spectroscopy characterization of K(H2O)2[Re6Se5Cl9] and (n-Bu4N)[Re6Se5Cl9] and the crystal structure of (n-Bu4N)2[Re6Se6Cl8]","New J. Chem.","2001","25","5","737","740","10.1039/b005231k","","","0.71073","MoKα","","0.1","0.0345","","0.1545","","0.1295","","","1.188","","","1.311","","","","has coordinates,has disorder","180064","2020-10-21","18:00:00","" "7051021","12.833","0.003","11.588","0.002","18.563","0.004","90","","90.04","0.03","90","","2760.5","1","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","(nBu4N)2[Re6Se6Cl8]","bis-tetra-n-butylammonium hexa-μ~eq~3-seleno-di-μ~eq~3-chloro- hexachloro-octahedro-hexarhenate(III)","","- C32 H72 Cl8 N2 Re6 Se6 -","- C32 H72 Cl8.14 N2 Re6 Se5.848 -","- C64 H144 Cl16.28 N4 Re12 Se11.696 -","2","0.5","","Santiago Uriel; Kamal Boubekeur; Patrick Batail; Jesus Orduna; André Perrin","Inertness of the [Re6Se5Cl3]5+ cluster core to substitution by OH− in organic solutions: synthesis, structural and liquid secondary ion mass spectroscopy characterization of K(H2O)2[Re6Se5Cl9] and (n-Bu4N)[Re6Se5Cl9] and the crystal structure of (n-Bu4N)2[Re6Se6Cl8]","New J. Chem.","2001","25","5","737","740","10.1039/b005231k","","","0.71073","MoKα","","0.1272","0.0539","","","0.1588","0.1885","","","","","","1.201","","","","has coordinates","213973","2020-10-21","18:00:00","" "7051022","8.4308","0.0004","10.5457","0.0005","15.6538","0.0008","90","","90","","90","","1391.76","0.12","200","","","","","","","","","","Local laboratory","3","P 21 21 21","P 2ac 2ab","19","","","","- C13 H20 O6 -","- C13 H20 O6 -","- C52 H80 O24 -","4","1","","Banwell, Martin G.; Bray, Andrew M.; Edwards, Alison J.; Wong, David J.","Chemoenzymatic synthesis of the epimeric 6C-methyl-D-mannoses from toluene","New Journal of Chemistry","2001","25","1","3","","10.1039/b005312k","","","0.71073","MoKα","","","0.049","","","","0.0224","","","","","","0.9997","","","","has coordinates","202017","2020-10-21","18:00:00","" "7051023","6.9393","0.0005","10.5584","0.0008","19.7333","0.0008","90","","90","","90","","1445.82","0.16","200","","","","","","","","","","Local laboratory","3","P 21 21 21","P 2ac 2ab","19","","","","- C13 H22 O6 -","- C13 H22 O6 -","- C52 H88 O24 -","4","1","","Banwell, Martin G.; Bray, Andrew M.; Edwards, Alison J.; Wong, David J.","Chemoenzymatic synthesis of the epimeric 6C-methyl-D-mannoses from toluene","New Journal of Chemistry","2001","25","1","3","","10.1039/b005312k","","","0.71073","MoKα","","","0.0397","","","","0.0463","","","","","","0.9641","","","","has coordinates","202017","2020-10-21","18:00:00","" "7051024","6.5102","0.0002","8.9104","0.0004","23.7859","0.0009","90","","90","","90","","1379.78","0.09","200","","","","","","","","","","Local laboratory","3","P 21 21 21","P 2ac 2ab","19","","","","- C13 H20 O6 -","- C13 H20 O6 -","- C52 H80 O24 -","4","1","","Banwell, Martin G.; Bray, Andrew M.; Edwards, Alison J.; Wong, David J.","Chemoenzymatic synthesis of the epimeric 6C-methyl-D-mannoses from toluene","New Journal of Chemistry","2001","25","1","3","","10.1039/b005312k","","","0.71073","MoKα","","","0.0307","","","","0.0204","","","","","","1.049","","","","has coordinates","202017","2020-10-21","18:00:00","" "7051025","9.612","0.009","15.884","0.015","15.884","0.015","105.35","0.02","92.65","0.03","92.65","0.03","2332","4","294","2","294","2","","","","","","","","5","P -1","-P 1","2","","","","- C48 H46 N8 O4 Zn -","- C47.5 H36 N8 O4 Zn -","- C95 H72 N16 O8 Zn2 -","2","1","","Che, Chi-Ming; Wan, Chun-Wai; Ho, Kin-Ying; Zhou, Zhong-Yun","Strongly luminescent metal‒organic compounds: spectroscopic properties and crystal structure of substituted 1,8-naphthyridine and its zinc(II) complex","New Journal of Chemistry","2001","25","1","63","","10.1039/b005644h","","","0.71073","MoKα","","0.3155","0.0851","","","0.2129","0.3072","","","","","","0.818","","","","has coordinates,has disorder","180064","2020-10-21","18:00:00","" "7051026","6.632","0.002","19.859","0.002","34.049","0.004","90","","90","","90","","4484.4","1.5","293","2","293","2","","","","","","","","4","P b c 21","P 2c -2b","29","","4-phenil-4-(N-ciclohexyl)imidoyl-6-(4-methylphenyl)- 2-methoxi-3,4-dihydropyridin","","- C26 H30 N2 O -","- C26 H30 N2 O -","- C208 H240 N16 O8 -","8","2","","José Barluenga; Miguel Tomás; Alfredo Ballesteros; Javier Santamaría; Raúl Corzo-Suárez; Santiago García-Granda","Reaction of Fischer alkynylcarbene complexes with 1-azadiene derivatives: unexpected formation of 3,4-dihydropyridines","New J. Chem.","2001","25","1","8","10","10.1039/b005648k","","","0.71073","MoKα","","0.245","0.0591","","","0.1485","0.2829","","","1.029","","","1.306","","","","has coordinates","202017","2020-10-21","18:00:00","" "7051027","6.486","0.004","12.445","0.001","18.327","0.002","90","","90","","90","","1479.3","0.9","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(4S)-4-Benzyl-3-(4,5-dimethyl-3-pyrazolyl)-1,3-oxazolidin-2-one","","- C15 H17 N3 O2 -","- C15 H17 N3 O2 -","- C60 H68 N12 O8 -","4","1","","Marcial Moreno-Mañas; Rosa M. Sebastián; Adelina Vallribera; Juan F. Piniella; Angel Álvarez-Larena; María Luisa Jimeno; José Elguero","Structure of chiral pyrazoles in the solid state and in solution","New J. Chem.","2001","25","2","329","335","10.1039/b005920j","","","0.71069","MoKα","","0.0479","0.0414","","","0.111","0.113","","","","","","1.009","","","","has coordinates","202017","2020-10-21","18:00:00","" "7051028","6.601","0.009","14.743","0.004","18.895","0.009","90","","90","","90","","1839","3","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(4S)-4-Benzyl-3-(4-benzyl-5-methyl-3-pyrazolyl)-1,3-oxazolidin-2-one","","- C21 H21 N3 O2 -","- C21 H21 N3 O2 -","- C84 H84 N12 O8 -","4","1","","Marcial Moreno-Mañas; Rosa M. Sebastián; Adelina Vallribera; Juan F. Piniella; Angel Álvarez-Larena; María Luisa Jimeno; José Elguero","Structure of chiral pyrazoles in the solid state and in solution","New J. Chem.","2001","25","2","329","335","10.1039/b005920j","","","0.71069","MoKα","","0.08","0.0463","","","0.0984","0.1022","","","","","","0.886","","","","has coordinates","202017","2020-10-21","18:00:00","" "7051029","9.309","0.002","12.306","0.004","13.322","0.003","90","","104.8","0.02","90","","1475.5","0.7","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","(2R)-N-(5-methyl-3-pyrazolyl)bornane-10,2-sultam","","- C14 H21 N3 O2 S -","- C14 H21 N3 O2 S -","- C56 H84 N12 O8 S4 -","4","2","","Marcial Moreno-Mañas; Rosa M. Sebastián; Adelina Vallribera; Juan F. Piniella; Angel Álvarez-Larena; María Luisa Jimeno; José Elguero","Structure of chiral pyrazoles in the solid state and in solution","New J. Chem.","2001","25","2","329","335","10.1039/b005920j","","","0.71069","MoKα","","0.033","0.0301","","","0.0816","0.0823","","","","","","1.049","","","","has coordinates","202017","2020-10-21","18:00:00","" "7051030","16.795","0.003","12.09","0.003","17.268","0.002","90","","116.549","0.012","90","","3136.6","1.1","296","2","296","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C30 H29 Cl4 N O3 P Pd -","- C30 H29 Cl4 N O3 P Pd -","- C120 H116 Cl16 N4 O12 P4 Pd4 -","4","1","","Carlos Cativiela; Larry R. Falvello; Juan Carlos Ginés; Rafael Navarro; Esteban P. Urriolabeitia","Synthesis, structure and reactivity of PdII complexes with the terdentate imino alcohol ligand C6H3-3,4-(OMe)2‒C(H)NCH2CH2OH","New J. Chem.","2001","25","2","344","352","10.1039/b006140i","","","0.71073","MoKα","","0.0448","0.034","","","0.0826","0.0864","","","","","","1.032","","","","has coordinates","180064","2020-10-21","18:00:00","" "7051031","23.732","0.002","8.039","0.002","14.922","0.002","90","","90","","90","","2846.8","0.8","293","2","293","2","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C29 H29 Cl N O7 P Pd -","- C29 H29 Cl N O7 P Pd -","- C116 H116 Cl4 N4 O28 P4 Pd4 -","4","1","","Carlos Cativiela; Larry R. Falvello; Juan Carlos Ginés; Rafael Navarro; Esteban P. Urriolabeitia","Synthesis, structure and reactivity of PdII complexes with the terdentate imino alcohol ligand C6H3-3,4-(OMe)2‒C(H)NCH2CH2OH","New J. Chem.","2001","25","2","344","352","10.1039/b006140i","","","0.71073","MoKα","","0.0927","0.0506","","","0.1054","0.117","","","","","","0.963","","","","has coordinates","180064","2020-10-21","18:00:00","" "7051032","16.504","0.007","7.561","0.005","12.142","0.003","90","","92.54","0.02","90","","1513.7","1.2","130","2","130","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H26 Cl O3 P -","- C13 H26 Cl O3 P -","- C52 H104 Cl4 O12 P4 -","4","1","","Berrigan, Rebecca A.; Russell, Douglas K.; Henderson, William; Leach, Meto T.; Nicholson, Brian K.; Woodward, Gary; Harris, Christopher","Camphene-derived primary and hydroxymethyl phosphines","New Journal of Chemistry","2001","25","2","322","","10.1039/b006252i","","","0.71073","MoKα","","0.0927","0.0467","","0.11","0.0936","","","","1.023","1.104","1.104","","","","","has coordinates","180064","2020-10-21","18:00:00","" "7051033","11.344","0.01","12.614","0.016","9.846","0.013","112.43","0.1","96.62","0.1","98.5","0.09","1265","3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","nickelbis(triethylphosphine)(eta2‒1,2-octafluoronaphthalene)","","- C22 H30 F8 Ni P2 -","- C22 H30 F8 Ni P2 -","- C44 H60 F16 Ni2 P4 -","2","1","","Braun, Thomas; Cronin, Leroy; Higgitt, Catherine L.; McGrady, John E.; Perutz, Robin N.; Reinhold, Meike","Coordination and oxidative addition of octafluoronaphthalene at a nickel centre: isolation of an intermediate in C‒F bond activation","New Journal of Chemistry","2001","25","1","19","","10.1039/b006368l","","","0.71069","MoKα","","0.0857","0.0442","","0.1334","","0.1114","","","1.014","","","1.04","","","","has coordinates","180064","2020-10-21","18:00:00","" "7051034","12.8812","0.0011","13.0279","0.0012","14.2552","0.0009","78.667","0.007","86.219","0.006","60.753","0.009","2045.3","0.3","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C21 H55 Cl2 Cu3 Fe N15 O13 -","- C21 H52 Cl2 Cu3 Fe N15 O13 -","- C42 H104 Cl4 Cu6 Fe2 N30 O26 -","2","1","","","""Synthesis, structure and magnetic behaviour of a two-dimensional cyano-bridged complex [(Cu(ept))_3Fe(CN)_6](ClO_4)_2·5H_2O (ept = N-(2-aminoethy","New Journal of Chemistry","2001","","","","","10.1039/b006741p","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00","" "7051035","20.712","0.004","14.805","0.003","21.362","0.004","90","","111.5","0.03","90","","6095","2","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C56 H94 N4 O11 W2 -","- C56 H84 N4 O11 W2 -","- C224 H336 N16 O44 W8 -","4","1","","Wong, Yee-Lok; Yang, Qingchuan; Zhou, Zhong-Yuan; Kay Lee, Hung; Mak, Thomas C. W.; Ng, Dennis K. P.","Synthesis, structure and oxo-transfer properties of dioxotungsten(VI) complexes with pyridine-based NO-and NS-bidentate ligands","New Journal of Chemistry","2001","25","2","353","","10.1039/b006979p","","","0.71073","MoKα","","0.0536","0.0468","","","0.1264","0.1336","","","","","","0.894","","","","has coordinates","180064","2020-10-21","18:00:00","" "7051036","13.467","0.003","24.756","0.005","11.723","0.002","90","","100.04","0.03","90","","3848.5","1.4","295","2","295","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C42 H42 N4 O6 W -","- C42 H28 N4 O6 W -","- C168 H112 N16 O24 W4 -","4","1","","Wong, Yee-Lok; Yang, Qingchuan; Zhou, Zhong-Yuan; Kay Lee, Hung; Mak, Thomas C. W.; Ng, Dennis K. P.","Synthesis, structure and oxo-transfer properties of dioxotungsten(VI) complexes with pyridine-based NO-and NS-bidentate ligands","New Journal of Chemistry","2001","25","2","353","","10.1039/b006979p","","","0.71073","MoKα","","0.0777","0.0531","","0.1639","0.1487","","","","1.058","1.056","1.056","","","","","has coordinates","180064","2020-10-21","18:00:00","" "7051037","17.66","0.003","16.118","0.001","19.974","0.003","90","","106.76","0.003","90","","5444","1.3","294","2","294","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C53.5 H63.5 N2.5 O4.5 W -","- C53.5 H63.5 N2.5 O4.5 W -","- C214 H254 N10 O18 W4 -","4","1","","Wong, Yee-Lok; Yang, Qingchuan; Zhou, Zhong-Yuan; Kay Lee, Hung; Mak, Thomas C. W.; Ng, Dennis K. P.","Synthesis, structure and oxo-transfer properties of dioxotungsten(VI) complexes with pyridine-based NO-and NS-bidentate ligands","New Journal of Chemistry","2001","25","2","353","","10.1039/b006979p","","","0.71073","MoKα","","0.1285","0.0845","","","0.1741","0.1951","","","","","","1.17","","","","has coordinates","176453","2020-10-21","18:00:00","" "7051038","24.684","0.004","15.202","0.002","25.368","0.004","90","","97.78","0.003","90","","9432","2","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C30 H68 Fe N18 Ni2 O8 -","- C30 H44 Fe N18 Ni2 O8 -","- C240 H352 Fe8 N144 Ni16 O64 -","8","1","","Lu, Tongbu; Xiang, Hua; Su, Chengyong; Cheng, Peng; Mao, Zongwan; Ji, Liangnian","[NiL]2[Fe(CN)6]·4H2O [L = 3,10-bis(2-hydroxyethyl)-1,3,5,8,10,12-hexaazacyclotetradecane]: a novel three-dimensional iron(II)‒nickel(II) cyanide-bridged bimetallic assembly with a vat-like structure","New Journal of Chemistry","2001","25","2","216","","10.1039/b007406n","","","0.71073","MoKα","","0.1235","0.0789","","","0.1783","0.2047","","","","","","1.035","","","","has coordinates,has disorder","180064","2020-10-21","18:00:00","" "7051039","39.72","0.04","10.198","0.013","24.59","0.03","90","","123.777","0.01","90","","8279","17","293","2","293","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C45 H40 Cl Cu N2 O4 P2 -","- C45 H40 Cl Cu N2 O4 P2 -","- C360 H320 Cl8 Cu8 N16 O32 P16 -","8","1","","Hati, Sanchita; Patra, Goutam K.; Naskar, Jnan P.; Drew, Michael G. B.; Datta, Dipankar","First structurally characterised metal complex of a 2H-benzimidazole derivative. Copper mediated synthesis of 2,2-dimethyl-2H-benzimidazole from 1,2-phenylenediamine and acetone","New Journal of Chemistry","2001","25","2","218","","10.1039/b007410l","","","0.71073","MoKα","","0.0907","0.0599","","","0.1591","0.1775","","","","","","1.084","","","","has coordinates","180064","2020-10-21","18:00:00","" "7051040","18.0285","0.0013","10.6208","0.0007","7.7084","0.0005","90","","98.223","0.002","90","","1460.81","0.17","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H15 Fe N O2 -","- C18 H15 Fe N O2 -","- C72 H60 Fe4 N4 O8 -","4","1","","Jose A. Mata; Eduardo Peris; Inge Asselberghs; Roel Van Boxel; André Persoons","Syntheses, characterization and second-order nonlinear optical behavior of new ferrocenyl-terminated phenylethenyl oligomers with a pendant nitro group","New J. Chem.","2001","25","2","299","304","10.1039/b007411j","","","0.71073","MoKα","","0.0591","0.0306","","","0.0679","0.0833","","","","","","0.946","","","","has coordinates","192781","2020-10-21","18:00:00","" "7051041","16.1351","0.0007","16.3746","0.0006","19.6653","0.0007","109.763","0.003","93.411","0.003","90.83","0.003","4877.7","0.3","173","","173","","","","","","","","","6","P -1","-P 1","2","","","","- C114 H90 Cl4 N8 Ni2 O4 -","- C114 H82 Cl4 N8 Ni2 O4 -","- C228 H164 Cl8 N16 Ni4 O8 -","2","1","","François Jérôme; Jean-Michel Barbe; Claude P. Gros; Roger Guilard; Jean Fischer; Raymond Weiss","Peculiar reactivity of face to face biscorrole and porphyrin‒corrole with a nickel(II) salt. X-Ray structural characterization of a new nickel(II) bisoxocorrole","New J. Chem.","2001","25","1","93","101","10.1039/b007623f","","","0.71073","Mo-Kα","","0.121","0.073","","0.137","","0.107","","","1.348","","","1.04","","","","has coordinates","180064","2020-10-21","18:00:00","" "7051042","8.8875","0.0009","11.9248","0.0012","26.99","0.003","91.405","0.011","94.482","0.011","99.522","0.011","2810.4","0.5","180","2","180","2","","","","","","","synthesized as described","5","P -1","-P 1","2","","","","- C60 H68 I2 N4 O11 -","- C60 H68 I2 N4 O11 -","- C120 H136 I4 N8 O22 -","2","1","","Lacroix, Pascal G.; Lepetit, Christine; Claude Daran, Jean","Switching nonlinear optical properties by proton transfer in hydrogen-bonded merocyanine dyes: a theoretical investigation at the semi-empirical level","New Journal of Chemistry","2001","25","3","451","","10.1039/b007726g","","","0.71073","MoKα","","","0.0282","","","","0.0329","","","","","","0.9349","","","","has coordinates","202017","2020-10-21","18:00:00","" "7051043","13.1025","0.0001","13.5227","0.0001","16.4607","0.0001","94.579","0.001","102.822","0.001","105.621","0.001","2708.33","0.04","160","2","160","2","","","","","","","","6","P -1","-P 1","2","","","","- C52 H42 B4 F16 N10 Ru -","- C52 H42 B4 F16 N10 Ru -","- C104 H84 B8 F32 N20 Ru2 -","2","1","","Benniston, Andrew C.; Mackie, Philip R.; Farrugia, Louis J.; Smith, Graeme; Teat, Simon J.; McLean, Andrew J.","Detailed photophysical properties of a functionalized ruthenium(II) polypyridyl complex: through-space solvent effects","New Journal of Chemistry","2001","25","3","458","","10.1039/b007962f","","","0.6849","synchrotron","","0.0772","0.0595","","","0.1555","0.1643","","","","","","0.984","","","","has coordinates","180064","2020-10-21","18:00:00","" "7051044","6.3652","0.0009","35.256","0.011","7.6591","0.0017","90","","108.033","0.017","90","","1634.4","0.7","160","2","160","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C32 H26 F12 N6 P2 -","- C32 H26 F12 N6 P2 -","- C64 H52 F24 N12 P4 -","2","0.5","","Benniston, Andrew C.; Mackie, Philip R.; Farrugia, Louis J.; Smith, Graeme; Teat, Simon J.; McLean, Andrew J.","Detailed photophysical properties of a functionalized ruthenium(II) polypyridyl complex: through-space solvent effects","New Journal of Chemistry","2001","25","3","458","","10.1039/b007962f","","","0.6875","synchrotron","","0.173","0.0973","","","0.1556","0.1812","","","","","","1.068","","","","has coordinates","180064","2020-10-21","18:00:00","" "7051045","7.4721","0.001","7.531","0.001","11.0761","0.0009","93.4149","0.0008","102.042","0.001","100.486","0.001","596.29","0.12","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H40 N6 Ni O4 -","- C16 H40 N6 Ni O4 -","- C16 H40 N6 Ni O4 -","1","0.5","","Rahaman Laskar, Inamur; Das, Debasis; Mostafa, Golam; Lu, Tian-Huey; Keng, Tai-Chiun; Wang, Ju-Chun; Ghosh, Ashutosh; Ray Chaudhuri, Nirmalendu","First report on thermally induced nitro→nitrito(O,O) linkage isomerization in diamine complexes of nickel(II) in the solid state: X-ray single crystal structural analyses of nitro and nitrito isomers","New Journal of Chemistry","2001","25","5","764","","10.1039/b008254f","","","0.71073","MoKα","","0.082","0.0803","","0.2157","0.2134","","","","1.094","1.115","1.115","","","","","has coordinates,has disorder","180064","2020-10-21","18:00:00","" "7051046","10.283","0.0009","19.467","0.002","12.124","0.002","90","","95.4","0.01","90","","2416.2","0.5","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H40 N6 Ni O4 -","- C16 H40 N6 Ni O4 -","- C64 H160 N24 Ni4 O16 -","4","1","","Rahaman Laskar, Inamur; Das, Debasis; Mostafa, Golam; Lu, Tian-Huey; Keng, Tai-Chiun; Wang, Ju-Chun; Ghosh, Ashutosh; Ray Chaudhuri, Nirmalendu","First report on thermally induced nitro→nitrito(O,O) linkage isomerization in diamine complexes of nickel(II) in the solid state: X-ray single crystal structural analyses of nitro and nitrito isomers","New Journal of Chemistry","2001","25","5","764","","10.1039/b008254f","","","0.71073","MoKα","","0.1082","0.0521","","0.1372","0.1086","","","","1.006","1.048","1.048","","","","","has coordinates,has disorder","180064","2020-10-21","18:00:00","" "7051047","10.3131","0.0007","19.2548","0.0012","12.0523","0.0008","90","","96.47","0.01","90","","2378.1","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H40 N6 Ni O4 -","- C16 H40 N6 Ni O4 -","- C64 H160 N24 Ni4 O16 -","4","1","","Rahaman Laskar, Inamur; Das, Debasis; Mostafa, Golam; Lu, Tian-Huey; Keng, Tai-Chiun; Wang, Ju-Chun; Ghosh, Ashutosh; Ray Chaudhuri, Nirmalendu","First report on thermally induced nitro→nitrito(O,O) linkage isomerization in diamine complexes of nickel(II) in the solid state: X-ray single crystal structural analyses of nitro and nitrito isomers","New Journal of Chemistry","2001","25","5","764","","10.1039/b008254f","","","0.71073","MoKα","","0.0423","0.0404","","0.1095","0.1069","","","","1.05","1.049","1.049","","","","","has coordinates","180064","2020-10-21","18:00:00","" "7051048","10.259","0.0005","14.7368","0.0007","5.1617","0.0004","93.601","0.005","111.643","0.005","85.992","0.004","772.88","0.08","298","","298","","","","","","","","","2","P -1","-P 1","2","","","","- C22 H20 -","- C22 H20 -","- C44 H40 -","2","1","","Takehiko Yamato; Naozumi Sakaue; Kan Tanaka; Hirohisa Tsuzuki","Medium-sized cyclophanes, 55: Synthesis and conformational studies of [2.1.1]orthocyclophanes","New Journal of Chemistry","2001","","","","","","","","","","","","","","","0.081","","","","","","","","","","","has coordinates","208360","2020-10-21","18:00:00","" "7051049","15.669","0.001","15.669","0.001","11.4392","0.0004","90","","90","","90","","2808.5","0.3","294","","294","","","","","","","","","3","P -4 21 c","P -4 2n","114","","","","- C60 H60 N4 -","- C60 H60 N4 -","- C120 H120 N8 -","2","0.25","","Cédric Klein; Ernest Graf; Mir Wais Hosseini; André De Cian","Design and structural analysis of interpenetrated 3-D co-ordination networks formed by self-assembly using tetrapyridinoocyclophane and silver cations","New J. Chem.","2001","25","2","207","209","10.1039/b008259g","","","0.71073","Mo-Kα","","0.15","0.084","","0.302","","0.119","","","2.938","","","1.128","","","","has coordinates","176432","2020-10-21","18:00:00","" "7051050","24.4478","0.0004","24.4478","0.0004","68.74","0.001","90","","90","","90","","41085.5","1.1","173","","173","","","","","","","","","8","I 41/a c d :2","-I 4bd 2c","142","","","","- C36 H44 Ag Cl2 F6 N2 O5 P -","- C35.75 H30 Ag Cl2 F6 N2 O5 P -","- C1144 H960 Ag32 Cl64 F192 N64 O160 P32 -","32","1","","Cédric Klein; Ernest Graf; Mir Wais Hosseini; André De Cian","Design and structural analysis of interpenetrated 3-D co-ordination networks formed by self-assembly using tetrapyridinoocyclophane and silver cations","New J. Chem.","2001","25","2","207","209","10.1039/b008259g","","","0.71073","Mo-Kα","","0.291","0.134","","0.798","","0.173","","","25.92","","","1.179","","","","has coordinates","180064","2020-10-21","18:00:00","" "7051051","15.642","0.003","29.006","0.006","6.556","0.0011","90","","90","","90","","2974.5","0.9","293","2","293","2","","","","","","","","4","F d d 2","F 2 -2d","43","","","","- C6 H8 N2 O3 -","- C6 H8 N2 O3 -","- C96 H128 N32 O48 -","16","1","","","","New Journal of Chemistry","2001","","","","","10.1039/b008262g","","","","","","","","","","","","","","","","","","","","","has coordinates","202017","2020-10-21","18:00:00","" "7051052","8.181","0.002","12.891","0.002","7.758","0.002","104.73","0.02","116.1","0.02","73.34","0.02","696","0.3","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C12 H15 N5 O5 -","- C12 H15 N5 O5 -","- C24 H30 N10 O10 -","2","1","","","","New Journal of Chemistry","2001","","","","","10.1039/b008262g","","","","","","","","","","","","","","","","","","","","","has coordinates","202017","2020-10-21","18:00:00","" "7051053","7.586","0.002","16.547","0.002","10.856","0.002","90","","97.1","0.02","90","","1352.3","0.5","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C12 H14 N4 O5 -","- C12 H14 N4 O5 -","- C48 H56 N16 O20 -","4","1","","","","New Journal of Chemistry","2001","","","","","10.1039/b008262g","","","","","","","","","","","","","","","","","","","","","has coordinates","202017","2020-10-21","18:00:00","" "7051054","11.223","0.001","7.226","0.002","40.737","0.005","90","","90.53","0.01","90","","3303.5","1","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C30 H34 N14 O6 -","- C30 H34 N14 O6 -","- C120 H136 N56 O24 -","4","1","","","","New Journal of Chemistry","2001","","","","","10.1039/b008262g","","","","","","","","","","","","","","","","","","","","","has coordinates","202017","2020-10-21","18:00:00","" "7051055","7.262","0.001","9.466","0.003","9.839","0.001","91.28","0.02","109.46","0.01","94.01","0.02","635.4","0.2","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C11 H15 N5 O3 -","- C11 H15 N5 O3 -","- C22 H30 N10 O6 -","2","1","","","","New Journal of Chemistry","2001","","","","","10.1039/b008262g","","","","","","","","","","","","","","","","","","","","","has coordinates","202017","2020-10-21","18:00:00","" "7051056","10.111","0.002","11.747","0.002","9.369","0.002","107.72","0.01","109.66","0.01","66.16","0.01","940","0.3","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C17 H20 N6 O7 -","- C17 H20 N6 O7 -","- C34 H40 N12 O14 -","2","1","","","","New Journal of Chemistry","2001","","","","","10.1039/b008262g","","","","","","","","","","","","","","","","","","","","","has coordinates","202017","2020-10-21","18:00:00","" "7051057","13.612","0.002","15.789","0.004","10.172","0.004","100.5","0.03","102.23","0.02","97.16","0.02","2070.2","1.1","298.2","","","","","","","","","","","6","P -1","-P 1","2","","","","- C31 H41.5 Ag3 Cl3 N8.5 O12 -","- C31 H40 Ag3 Cl3 N8.5 O12 -","- C62 H80 Ag6 Cl6 N17 O24 -","2","1","","Fei, Bao-Li; Sun, Wei-Yin; Okamura, Taka-aki; Tang, Wen-Xia; Ueyama, Norikazu","Synthesis and crystal structure of a luminescent infinite 2D brick-wall network with two- and three-coordinate silver(I) atoms and ligand-unsupported silver‒silver interactions","New Journal of Chemistry","2001","25","2","210","","10.1039/b008266j","","","0.7107","MoKα","","","0.0421","","","","0.1517","","","","","","1.063","","","","has coordinates","176453","2020-10-21","18:00:00","" "7051058","8.7139","0.0004","12.6362","0.0005","16.8896","0.0007","81.778","0.001","80.395","0.001","78.851","0.001","1787.22","0.13","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C36 H29 Cl2 N7 O10 Ru -","- C36 H29 Cl2 N7 O10 Ru -","- C72 H58 Cl4 N14 O20 Ru2 -","2","1","","Rice, Craig R.; Guerrero, Ana; Bell, Zöe R.; Paul, Rowena L.; Motson, Graham R.; Jeffery, John C.; Ward, Michael D.","New hybrid ditopic ligands containing fused phenanthroline and crown ether units","New Journal of Chemistry","2001","25","2","185","","10.1039/b008378j","","","0.71073","MoKα","","0.0451","0.0356","","","0.0888","0.0932","","","","","","1.028","","","","has coordinates,has disorder","180064","2020-10-21","18:00:00","" "7051059","11.83","0.004","13.271","0.005","17.791","0.006","97.664","0.006","92.213","0.006","115.897","0.006","2475.4","1.5","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C46 H46 Cl2 N10 O12 Ru -","- C47 H34 Cl2 N9 O12 Ru -","- C94 H68 Cl4 N18 O24 Ru2 -","2","1","","Rice, Craig R.; Guerrero, Ana; Bell, Zöe R.; Paul, Rowena L.; Motson, Graham R.; Jeffery, John C.; Ward, Michael D.","New hybrid ditopic ligands containing fused phenanthroline and crown ether units","New Journal of Chemistry","2001","25","2","185","","10.1039/b008378j","","","0.71073","MoKα","","0.1009","0.0525","","","0.1149","0.1252","","","","","","0.894","","","","has coordinates","180064","2020-10-21","18:00:00","" "7051060","12.748","0.004","13.181","0.004","13.847","0.004","90","0.03","107.04","0.03","90","0.02","2224.6","1.2","173","2","173","2","","","","","","","","9","P 1 21 1","P 2yb","4","","","","- C44 H45 Cl2 F0 N7 Na0 O14 P0 Ru -","- C44 H45 Cl2 N7 O14 Ru -","- C88 H90 Cl4 N14 O28 Ru2 -","2","1","","Rice, Craig R.; Guerrero, Ana; Bell, Zöe R.; Paul, Rowena L.; Motson, Graham R.; Jeffery, John C.; Ward, Michael D.","New hybrid ditopic ligands containing fused phenanthroline and crown ether units","New Journal of Chemistry","2001","25","2","185","","10.1039/b008378j","","","0.71073","MoKα","","0.0795","0.055","","","0.1326","0.1469","","","","","","1.025","","","","has coordinates","180064","2020-10-21","18:00:00","" "7051061","12.485","0.002","13.085","0.004","17.988","0.004","71.249","0.014","76.915","0.016","82.05","0.02","2703.6","1.1","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C48 H50 Cl3 Li N10 O17 Ru -","- C48 H47 Cl3 Li N10 O17 Ru -","- C96 H94 Cl6 Li2 N20 O34 Ru2 -","2","1","","Rice, Craig R.; Guerrero, Ana; Bell, Zöe R.; Paul, Rowena L.; Motson, Graham R.; Jeffery, John C.; Ward, Michael D.","New hybrid ditopic ligands containing fused phenanthroline and crown ether units","New Journal of Chemistry","2001","25","2","185","","10.1039/b008378j","","","0.71073","MoKα","","0.0977","0.0633","","","0.1769","0.1932","","","","","","0.985","","","","has coordinates,has disorder","180064","2020-10-21","18:00:00","" "7051062","8.9218","0.0011","11.9058","0.0014","18.795","0.002","71.592","0.002","76.372","0.002","88.482","0.002","1838.4","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H32 Ag2 N12 O13 -","- C30 H32 Ag2 N12 O13 -","- C60 H64 Ag4 N24 O26 -","2","1","","","","New Journal of Chemistry","2001","","","","","10.1039/b008383f","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00","" "7051063","9.038","0.006","6.373","0.003","23.946","0.016","90","","100.79","0.02","90","","1354.9","1.4","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C11 H8 Ag N5 O6 -","- C11 H8 Ag N5 O6 -","- C44 H32 Ag4 N20 O24 -","4","1","","","","New Journal of Chemistry","2001","","","","","10.1039/b008383f","","","","","","","","","","","","","","","","","","","","","has coordinates","180064","2020-10-21","18:00:00","" "7051064","9.593","0.002","10.825","0.002","19.936","0.004","89.54","0.03","80.41","0.03","68.45","0.03","1895.4","0.8","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C36 H30 Au2 P2 Se4 W -","- C36 H31 Au2 P2 Se4 W -","- C72 H62 Au4 P4 Se8 W2 -","2","1","","Zhang, Qian-Feng; Leung, Wa-Hung; Song, Ying-Lin; Hong, Mao-Chun; Kennard, Colin H. L.; Xin, Xin-Quan","Skeleton atomic effect on nonlinear optical properties of linear trinuclear heteroselenometallic compounds with univalent coinage metals","New Journal of Chemistry","2001","25","3","465","","10.1039/b008466m","","","0.71073","MoKα","","0.0713","0.0656","","0.1452","0.1213","","","","1.008","1.085","1.085","","","","","has coordinates","180064","2020-10-21","18:00:00","" "7051065","17.921","0.007","17.472","0.003","18.196","0.007","90","","95.86","0.02","90","","5668","3","293","2","293","2","","","","","","","","7","P 1 21/a 1","-P 2yab","14","","","","- C54.5 H45 Ag2 Cl P3 Se4 W -","- C54.5 H45 Ag2 Cl P3 Se4 W -","- C218 H180 Ag8 Cl4 P12 Se16 W4 -","4","1","","Zhang, Qian-Feng; Leung, Wa-Hung; Song, Ying-Lin; Hong, Mao-Chun; Kennard, Colin H. L.; Xin, Xin-Quan","Skeleton atomic effect on nonlinear optical properties of linear trinuclear heteroselenometallic compounds with univalent coinage metals","New Journal of Chemistry","2001","25","3","465","","10.1039/b008466m","","","0.71069","MoKα","","0.0921","0.0507","","0.1614","0.112","","","","0.998","1.152","1.152","","","","","has coordinates","176453","2020-10-21","18:00:00","" "7051066","12.183","0.0006","12.955","0.0006","14.3375","0.0007","85.988","0.001","89.019","0.001","68.267","0.001","2096.81","0.18","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C16 H51 N4 O24 P5 Zn4 -","- C16 H11 N4 O24 P5 Zn4 -","- C32 H22 N8 O48 P10 Zn8 -","2","1","","Ayi, Ayi A.; Choudhury, Amitava; Natarajan, Srinivasan; Rao, C. N. R.","Cyclic acetate dimers formed by C‒H···O hydrogen bonds in an open-framework zinc phosphate-acetate","New Journal of Chemistry","2001","25","2","213","","10.1039/b008498k","","","0.71073","MoKα","","0.0971","0.0661","","0.187","0.1684","","","","0.978","1.088","1.088","","","","","has coordinates","180064","2020-10-21","18:00:00","" "7051067","13.334","0.0012","5.8545","0.0005","21.617","0.002","90","","90.761","0.002","90","","1687.3","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H16 Cl N2 P -","- C18 H16 Cl N2 P -","- C72 H64 Cl4 N8 P4 -","4","1","","Coles, Simon J.; Durran, Sean E.; Hursthouse, Michael B.; Slawin, Alexandra M. Z.; Smith, Martin B.","Late transition metal complexes of a new P-N ligand Ph~2~PCH~2~N(H)C~5~H~3~(Cl-5)N: synthesis and structural studies","New Journal of Chemistry","2001","25","3","416","422","10.1039/b008502m","","","0.71073","MoKα","","0.1537","0.0881","","0.3183","0.1656","","","","1.142","1.197","1.197","","","","","has coordinates","202017","2020-10-21","18:00:00","" "7051068","9.849","0.003","11.647","0.003","9.054","0.002","109.31","0.02","95.75","0.03","102.41","0.03","940.6","0.5","293.2","","293.2","","","","","","","","","6","P -1","-P 1","2","","","","- C18 H16 Au Cl2 N2 P -","- C18 H16 Au Cl2 N2 P -","- C36 H32 Au2 Cl4 N4 P2 -","2","1","","Coles, Simon J.; Durran, Sean E.; Hursthouse, Michael B.; Slawin, Alexandra M. Z.; Smith, Martin B.","Late transition metal complexes of a new P-N ligand Ph~2~PCH~2~N(H)C~5~H~3~(Cl-5)N: synthesis and structural studies","New Journal of Chemistry","2001","25","3","416","422","10.1039/b008502m","","","0.7107","MoKα","","0.0258","0.0258","","0.0245","","0.0245","","","1.349","","","1.349","","","","has coordinates","191941","2020-10-21","18:00:00","" "7051069","11.944","0.003","14.623","0.002","16.14","0.002","90","","91.36","0.02","90","","2818.1","0.9","293.2","","293.2","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C30 H28 Cl2 N3 P Pd -","- C30 H28 Cl2 N3 P Pd -","- C120 H112 Cl8 N12 P4 Pd4 -","4","1","","Coles, Simon J.; Durran, Sean E.; Hursthouse, Michael B.; Slawin, Alexandra M. Z.; Smith, Martin B.","Late transition metal complexes of a new P-N ligand Ph~2~PCH~2~N(H)C~5~H~3~(Cl-5)N: synthesis and structural studies","New Journal of Chemistry","2001","25","3","416","422","10.1039/b008502m","","","0.7107","MoKα","","0.0369","0.0369","","0.0481","","0.0481","","","1.438","","","1.438","","","","has coordinates","191941","2020-10-21","18:00:00","" "7051070","9.226","0.002","12.365","0.006","8.559","0.004","98.9","0.04","107.85","0.02","106.17","0.03","861.3","0.6","293.2","","293.2","","","","","","","","","6","P -1","-P 1","2","","","","- C18 H16 Cl N2 O P -","- C18 H16 Cl N2 O P -","- C36 H32 Cl2 N4 O2 P2 -","2","1","","Coles, Simon J.; Durran, Sean E.; Hursthouse, Michael B.; Slawin, Alexandra M. Z.; Smith, Martin B.","Late transition metal complexes of a new P-N ligand Ph~2~PCH~2~N(H)C~5~H~3~(Cl-5)N: synthesis and structural studies","New Journal of Chemistry","2001","25","3","416","422","10.1039/b008502m","","","0.7107","MoKα","","0.0342","0.0342","","0.0332","","0.0332","","","2.399","","","2.399","","","","has coordinates","202017","2020-10-21","18:00:00","" "7051071","12.8214","0.0001","18.0482","0.0002","17.5951","0.0002","90","","93.954","0.0005","90","","4061.87","0.07","150","2","150","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C36 H32 B2 Cl2 F8 N4 P2 Pt -","- C36 H32 B2 Cl2 F8 N4 P2 Pt -","- C144 H128 B8 Cl8 F32 N16 P8 Pt4 -","4","1","","Coles, Simon J.; Durran, Sean E.; Hursthouse, Michael B.; Slawin, Alexandra M. Z.; Smith, Martin B.","Late transition metal complexes of a new P-N ligand Ph~2~PCH~2~N(H)C~5~H~3~(Cl-5)N: synthesis and structural studies","New Journal of Chemistry","2001","25","3","416","422","10.1039/b008502m","","","0.71073","MoKα","","0.0534","0.043","","","0.1176","0.1251","","","","","","0.958","","","","has coordinates","191941","2020-10-21","18:00:00","" "7051072","8.0095","0.0019","17.599","0.003","8.826","0.002","90","","105.42","0.03","90","","1199.3","0.5","213","2","213","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H10 N2 O2 -","- C15 H10 N2 O2 -","- C60 H40 N8 O8 -","4","1","","Eastmond, Geoffrey C.; Gilchrist, Thomas L.; Paprotny, Jerzy; Steiner, Alexander","Cyano-activated fluoro displacement reactions in the synthesis of cyanophenoxazines and related compounds","New Journal of Chemistry","2001","25","3","385","","10.1039/b008503k","","","0.71073","MoKα","","0.1225","0.0651","","","0.169","0.194","","","","","","0.918","","","","has coordinates","202017","2020-10-21","18:00:00","" "7051073","8.6688","0.0013","9.4019","0.001","19.222","0.002","90","","90","","90","","1566.7","0.3","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C20 H18 O2 -","- C20 H18 O2 -","- C80 H72 O8 -","4","1","","Eastmond, Geoffrey C.; Paprotny, Jerzy; Steiner, Alexander; Swanson, Linda","Synthesis of cyanodibenzo[1,4]dioxines and their derivatives by cyano-activated fluoro displacement reactions","New Journal of Chemistry","2001","25","3","379","","10.1039/b008508l","","","0.71073","MoKα","","0.0407","0.0322","","","0.0712","0.0735","","","","","","0.982","","","","has coordinates","202017","2020-10-21","18:00:00","" "7051074","34.48","0.09","8.96","0.02","17.67","0.03","90","","96.82","0.09","90","","5420","2","","","","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C27 H36 F3 P2 Rh -","- C27 H36 F3 P2 Rh -","- C216 H288 F24 P16 Rh8 -","8","1","","Herber, Ulrich; Guerrero Sanchez, Rita; Gevert, Olaf; Laubender, Matthias; Werner, Helmut","PX3-induced migratory insertion reactions of half-sandwich-type carbenerhodium(I) complexes","New Journal of Chemistry","2001","25","3","396","","10.1039/b008601k","","","","","","","","","","","","","","","","","","","","","has coordinates","176453","2020-10-21","18:00:00","" "7051075","10.17","0.003","11.177","0.002","17.401","0.003","85.68","0.01","84.78","0.02","88.03","0.02","1963.4","0.8","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C45 H51 O3 P2 Rh -","- C45 H51 O3 P2 Rh -","- C90 H102 O6 P4 Rh2 -","2","1","","Herber, Ulrich; Guerrero Sanchez, Rita; Gevert, Olaf; Laubender, Matthias; Werner, Helmut","PX3-induced migratory insertion reactions of half-sandwich-type carbenerhodium(I) complexes","New Journal of Chemistry","2001","25","3","396","","10.1039/b008601k","","","0.71073","MoKα","","0.1115","0.073","","0.1943","0.1633","","","","1.068","1.084","1.084","","","","","has coordinates","180064","2020-10-21","18:00:00","" "7051076","8.949","0.003","11.071","0.004","14.162","0.002","77.739","0.0003","78.887","0.0003","75.016","0.0005","1310.3","0.7","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C26 H25 Cu N3 O6 S2 -","- C26 H25 Cu N3 O6 S2 -","- C52 H50 Cu2 N6 O12 S4 -","2","1","","Bermejo, M. R.; Fondo, M.; Garcia-Deibe, A.; Piro, O.; Sousa, A.; Sousa-Pedrares, A.","Structural characterisation of metal complexes containing 1-[(4-methylphenyl)sulfonamido(-2-([1-(2-pyridylmethylidene]amino(benzene","New Journal of Chemistry","2001","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00","" "7051077","9.33","0.002","10.721","0.004","14.634","0.003","101.684","0.0003","103.956","0.0003","105.54","0.0005","1311.7","0.6","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C26 H25 N3 O6 S2 Zn -","- C26 H25 N3 O6 S2 Zn -","- C52 H50 N6 O12 S4 Zn2 -","2","1","","Bermejo, M. R.; Fondo, M.; Garcia-Deibe, A.; Piro, O.; Sousa, A.; Sousa-Pedrares, A.","Structural characterisation of metal complexes containing 1-[(4-methylphenyl)sulfonamido(-2-([1-(2-pyridylmethylidene]amino(benzene","New Journal of Chemistry","2001","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","130149","2020-10-21","18:00:00","" "7051078","10.78","0.002","15.226","0.003","11.158","0.002","90","","103.235","0.004","90","","1782.9","0.6","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C38 H32 Co N6 O4 S2 -","- C38 H32 Co N6 O4 S2 -","- C76 H64 Co2 N12 O8 S4 -","2","1","","Bermejo, M. R.; Fondo, M.; Garcia-Deibe, A.; Piro, O.; Sousa, A.; Sousa-Pedrares, A.","Structural characterisation of metal complexes containing 1-[(4-methylphenyl)sulfonamido(-2-([1-(2-pyridylmethylidene]amino(benzene","New Journal of Chemistry","2001","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","180064","2020-10-21","18:00:00","" "7051079","42.6482","0.0004","14.7187","0.0002","17.7055","0.0001","90","","112.885","0.001","90","","10239.4","0.18","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C57 H48 Cu1.5 N9 O6 S3 -","- C57 H48 Cu1.5 N9 O6 S3 -","- C456 H384 Cu12 N72 O48 S24 -","8","1","","Bermejo, M. R.; Fondo, M.; Garcia-Deibe, A.; Piro, O.; Sousa, A.; Sousa-Pedrares, A.","Structural characterisation of metal complexes containing 1-[(4-methylphenyl)sulfonamido(-2-([1-(2-pyridylmethylidene]amino(benzene","New Journal of Chemistry","2001","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","176453","2020-10-21","18:00:00","" "7051080","11.372","0.002","11.7922","0.0013","14.668","0.006","98.446","0.018","92.76","0.02","95.033","0.012","1934.4","0.9","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C42 H38 N8 O4 S2 Zn -","- C42 H38 N8 O4 S2 Zn -","- C84 H76 N16 O8 S4 Zn2 -","2","1","","Bermejo, M. R.; Fondo, M.; Garcia-Deibe, A.; Piro, O.; Sousa, A.; Sousa-Pedrares, A.","Structural characterisation of metal complexes containing 1-[(4-methylphenyl)sulfonamido(-2-([1-(2-pyridylmethylidene]amino(benzene","New Journal of Chemistry","2001","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","130149","2020-10-21","18:00:00","" "7051081","9.708","0.003","10.855","0.002","20.083","0.005","82.78","0.02","86.35","0.02","77.9","0.02","2051.4","0.9","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C44 H50 Fe2 O6 P2 -","- C44 H50 Fe2 O6 P2 -","- C88 H100 Fe4 O12 P4 -","2","1","","Richard Frantz; Francis Carré; Jean-Olivier Durand; Gérard F. Lanneau","New phosphonates containing a π-conjugated ferrocenyl unit","New J. Chem.","2001","25","2","188","190","10.1039/b008937k","","","0.71069","MoKα","","0.0629","0.0421","","0.112","0.1094","","","","0.939","1.066","1.066","","","","","has coordinates","180064","2020-10-21","18:00:00","" "7051082","7.181","0.002","12.321","0.002","14.958","0.003","88.55","0.02","83.61","0.02","86.5","0.02","1312.5","0.5","293","","293","","","","","","","","","6","P -1","-P 1","2","","","","- C36 H72 Co3 Cu2 N4 O24 -","- C36 H66 Co3 Cu2 N4 O24 -","- C36 H66 Co3 Cu2 N4 O24 -","1","0.5","","Valeriya G. Makhankova; Olga Yu. Vassilyeva; Volodymyr N. Kokozay; Brian W. Skelton; Jan Reedijk; Gerard A. Van Albada; Lorenzo Sorace; Dante Gatteschi","A unique heteropentanuclear CuII2CoIICoIII2 complex, synthesised from metallic Cu and Co acetate in the presence of triethanolamine. Magnetic properties and a strong H-bond stabilised lattice","New J. Chem.","2001","25","5","685","689","10.1039/b009194o","","","0.71073","MoKα","","0.114","0.062","","0.076","","0.066","","","1.19","","","1.318","","","","has coordinates","176432","2020-10-21","18:00:00","" "7051083","7.701","0.002","30.779","0.006","9.425","0.002","90","","92.98","0.03","90","","2231","0.9","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C8 H11 N3 O5 S -","- C8 H11 N3 O5 S -","- C64 H88 N24 O40 S8 -","8","2","","Veneta Videnova-Adrabinska; El¿bieta Janeczko; Teresa Borowiak; Grzegorz Dutkiewicz","","New Journal of Chemistry","2001","","","","","10.1039/b009197i","","","","","","","0.0512","","","0.1346","","","","","","","","","","","has coordinates","202017","2020-10-21","18:00:00","" "7051084","10.626","0.002","15.597","0.003","7.182","0.001","90","","103.38","0.02","90","","1158","0.4","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C8 H11 N3 O5 S -","- C8 H11 N3 O5 S -","- C32 H44 N12 O20 S4 -","4","1","","Veneta Videnova-Adrabinska; El¿bieta Janeczko; Teresa Borowiak; Grzegorz Dutkiewicz","","New Journal of Chemistry","2001","","","","","10.1039/b009197i","","","","","","","0.0428","","","0.118","","","","","","","","","","","has coordinates","202017","2020-10-21","18:00:00","" "7051085","13.617","0.001","14.569","0.001","16.28","0.001","64.67","0.01","84.612","0.001","68.296","0.001","2704.5","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C55 H64 Cl3 N O11 -","- C55 H64 Cl2.964 N O11 -","- C110 H128 Cl5.928 N2 O22 -","2","1","","Wojciech Wasikiewicz; Michal Slaski; Gabriel Rokicki; V. Boehmer; Ch. Schmidt; E. F. Paulus","","New Journal of Chemistry","2001","","","","","10.1039/b009260f","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","130149","2020-10-21","18:00:00","" "7051086","14.358","0.0007","14.358","0.0007","37.944","0.002","90","","90","","90","","7822.2","0.7","293","2","293","2","","","","","","","","4","P 43 21 2","P 4nw 2abw","96","","","","- C50 H37 Co O4 -","- C50 H37 Co O4 -","- C400 H296 Co8 O32 -","8","1","","Grepioni, Fabrizia; Gladiali, Serafino; Scaccianoce, Laura; Ribeiro, Paulinha; Braga, Dario","Crystal engineering of chiral superstructures based on (R)-(+)-1,1'-bi-2-naphthol and the alkali derivatives of racemic (R,S)-1,1'-bi-2-naphthol","New Journal of Chemistry","2001","25","5","690","","10.1039/b009665m","","","0.71073","MoKα","","0.4191","0.0629","","","0.1486","0.2076","","","","","","0.644","","","","has coordinates","180064","2020-10-21","18:00:00","" "7051087","13.2613","0.0004","13.2613","0.0004","33.4406","0.0015","90","","90","","90","","5880.9","0.4","293","2","293","2","","","","","","","","4","P 43 21 2","P 4nw 2abw","96","","","","- C40 H30 Co O3 -","- C40 H30 Co O3 -","- C320 H240 Co8 O24 -","8","1","","Grepioni, Fabrizia; Gladiali, Serafino; Scaccianoce, Laura; Ribeiro, Paulinha; Braga, Dario","Crystal engineering of chiral superstructures based on (R)-(+)-1,1'-bi-2-naphthol and the alkali derivatives of racemic (R,S)-1,1'-bi-2-naphthol","New Journal of Chemistry","2001","25","5","690","","10.1039/b009665m","","","0.71073","MoKα","","0.1186","0.0331","","","0.0625","0.075","","","","","","0.812","","","","has coordinates","180064","2020-10-21","18:00:00","" "7051088","10.4464","0.0016","14.85","0.002","15.985","0.002","68.894","0.005","80.311","0.005","87.814","0.005","2279.7","0.6","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C51.5 H41.5 Co N1.5 O7 -","- C51.5 H41.5 Co N1.5 O7 -","- C103 H83 Co2 N3 O14 -","2","1","","Grepioni, Fabrizia; Gladiali, Serafino; Scaccianoce, Laura; Ribeiro, Paulinha; Braga, Dario","Crystal engineering of chiral superstructures based on (R)-(+)-1,1'-bi-2-naphthol and the alkali derivatives of racemic (R,S)-1,1'-bi-2-naphthol","New Journal of Chemistry","2001","25","5","690","","10.1039/b009665m","","","0.71073","MoKα","","0.3358","0.0763","","","0.1959","0.2554","","","","","","0.717","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00","" "7051089","10.622","0.001","12.39","0.001","12.59","0.001","89.4","0.01","112.13","0.01","100.14","0.01","1508.1","0.3","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C40 H27 Cs O4 -","- C40 H27 Cs O4 -","- C80 H54 Cs2 O8 -","2","1","","Grepioni, Fabrizia; Gladiali, Serafino; Scaccianoce, Laura; Ribeiro, Paulinha; Braga, Dario","Crystal engineering of chiral superstructures based on (R)-(+)-1,1'-bi-2-naphthol and the alkali derivatives of racemic (R,S)-1,1'-bi-2-naphthol","New Journal of Chemistry","2001","25","5","690","","10.1039/b009665m","","","0.71073","MoKα","","0.0736","0.0475","","","0.134","0.1564","","","","","","0.889","","","","has coordinates","180064","2020-10-21","18:00:00","" "7051090","10.682","0.001","12.214","0.001","12.668","0.001","90","0.01","112.6","0.01","100.03","0.01","1498.5","0.3","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C40 H27 O4 Rb -","- C40 H27 O4 Rb -","- C80 H54 O8 Rb2 -","2","1","","Grepioni, Fabrizia; Gladiali, Serafino; Scaccianoce, Laura; Ribeiro, Paulinha; Braga, Dario","Crystal engineering of chiral superstructures based on (R)-(+)-1,1'-bi-2-naphthol and the alkali derivatives of racemic (R,S)-1,1'-bi-2-naphthol","New Journal of Chemistry","2001","25","5","690","","10.1039/b009665m","","","0.71073","MoKα","","0.1121","0.0657","","","0.1712","0.1998","","","","","","1.032","","","","has coordinates","180064","2020-10-21","18:00:00","" "7051091","23.255","0.003","11.484","0.002","6.936","0.009","90","","90","","90","","1852","2","293","2","293","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C12 H9 N O -","- C12 H9 N O -","- C96 H72 N8 O8 -","8","1","","Touzani, Rachid; Ben-Hadda, Taibi; Elkadiri, Sghir; Ramdani, Abdelkrim; Maury, Olivier; Le Bozec, Hubert; Toupet, Loic; Dixneuf, Pierre H.","Solution, solid state structure and fluorescence studies of 2,3-functionalized quinoxalines: evidence for a π-delocalized keto-enamine form with N‒H···O intramolecular hydrogen bonds","New Journal of Chemistry","2001","25","3","391","","10.1039/b009667i","","","0.71069","MoKα","","0.1056","0.0408","","","0.0957","0.1156","","","","","","0.999","","","","has coordinates","180064","2020-10-21","18:00:00","" "7051092","11.008","0.003","18.305","0.003","10.524","0.006","90","","109.91","0.03","90","","1993.9","1.4","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C48 H48 N4 O4 -","- C48 H48 N4 O4 -","- C96 H96 N8 O8 -","2","1","","Touzani, Rachid; Ben-Hadda, Taibi; Elkadiri, Sghir; Ramdani, Abdelkrim; Maury, Olivier; Le Bozec, Hubert; Toupet, Loic; Dixneuf, Pierre H.","Solution, solid state structure and fluorescence studies of 2,3-functionalized quinoxalines: evidence for a π-delocalized keto-enamine form with N‒H···O intramolecular hydrogen bonds","New Journal of Chemistry","2001","25","3","391","","10.1039/b009667i","","","0.71069","MoKα","","0.2081","0.0511","","","0.104","0.1465","","","","","","0.905","","","","has coordinates","202017","2020-10-21","18:00:00","" "7051093","8.3994","0.001","14.738","0.002","18.901","0.003","90","","99.35","0.01","90","","2308.7","0.6","293","2","193","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","tetrakis(octanoato O,O')bis(2-aminopyridine)dicopper(II)","","- C42 H72 Cu2 N4 O8 -","- C42 H72 Cu2 N4 O8 -","- C84 H144 Cu4 N8 O16 -","2","0.5","","Lah, Nina; Giester, Gerald; Lah, Jurij; Šegedin, Primož; Leban, Ivan","Copper(II) carboxylates with 2-aminopyridine. Synthesis, characterization and a study of the dimer‒monomer equilibrium in acetonitrile solutions by VIS-spectroscopic and microcalorimetric titrations","New Journal of Chemistry","2001","25","5","753","","10.1039/b009807h","","","0.71073","MoKα","","0.0787","0.0548","","","0.1494","0.1738","","","","","","0.909","","","","has coordinates","180064","2020-10-21","18:00:00","" "7051094","8.427","0.002","25.312","0.005","13.734","0.003","90","","105.42","0.03","90","","2824.1","1.1","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","bis(octanoato-O)bis(2-aminopyridine)copper(II)","","- C26 H42 Cu N4 O4 -","- C26 H42 Cu N4 O4 -","- C104 H168 Cu4 N16 O16 -","4","1","","Lah, Nina; Giester, Gerald; Lah, Jurij; Šegedin, Primož; Leban, Ivan","Copper(II) carboxylates with 2-aminopyridine. Synthesis, characterization and a study of the dimer‒monomer equilibrium in acetonitrile solutions by VIS-spectroscopic and microcalorimetric titrations","New Journal of Chemistry","2001","25","5","753","","10.1039/b009807h","","","0.71073","MoKα","","0.129","0.069","","","0.1312","0.1492","","","","","","1.024","","","","has coordinates","180064","2020-10-21","18:00:00","" "7051095","17.676","0.006","18.784","0.008","22.185","0.011","90","","90","","90","","7366","5","200","2","200","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C31 H69 N5 P2 -","- C31 H69 N5 P2 -","- C248 H552 N40 P16 -","8","1","","Baceiredo, Antoine; Bertrand, Guy; Dyer, Philip W.; Fawcett, John; Griep-Raming, Nina; Guerret, Olivier; Hanton, Martin J.; Russell, David R.; Williamson, Anna-Maria","The 'one-pot' syntheses of α,α'-diphosphino-substituted imines: a unique reaction of bulky bis(dialkylamino)chlorophosphines","New Journal of Chemistry","2001","25","4","591","","10.1039/b009867l","","","0.71073","MoKα","","0.163","0.0776","","","0.1628","0.2","","","","","","0.983","","","","has coordinates","202017","2020-10-21","18:00:00","" "7051096","15.684","0.002","18.737","0.001","11.044","0.003","90","","90","","90","","3245.5","1","296","2","296","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","5-tert-butyl-8-cyanometaparacyclophane-1,9-diene","","","- C21 H19 N -","- C21 H19 N -","- C168 H152 N8 -","8","2","","Yamato, Takehiko; Noda Kozo; Tsuzuki, Hirohisa","Medium-sized cyclophanes. Part 56 5-tert-Butyl-8-substituted [2.2]metaparacyclophane-1,9-dienes. Preparation, X-ray diffraction studies, and their treatment with Lewis acid and protic acid","New Journal of Chemistry","2001","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","202017","2020-10-21","18:00:00","" "7051097","13.7985","0.0015","7.0222","0.0005","23.996","0.002","90","","92.546","0.012","90","","2322.8","0.4","293","2","293","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","F2PDT-TTF, TCNQF4","","","- C21 H6 F6 N4 S6 -","- C21 H6 F6 N4 S6 -","- C84 H24 F24 N16 S24 -","4","1","","Dautel, O. J.; Fourmigue, M.","","New Journal of Chemistry","2001","","","","","10.1039/b010099o","","","","","","","0.0449","","","0.1057","","","","","","","","","","","has coordinates","180064","2020-10-21","18:00:00","" "7051098","8.5798","0.0017","11.544","0.002","15.944","0.003","93.28","0.03","101.93","0.03","92.84","0.03","1539.5","0.5","293","2","293","2","","","","","","","","6","P -1","-P 1","2","F2PDT-EDT-TTF, TCNQF4, TCE","","","- C25 H11 Cl3 F6 N4 S8 -","- C25 H11 Cl3 F6 N4 S8 -","- C50 H22 Cl6 F12 N8 S16 -","2","1","","","","New Journal of Chemistry","2001","","","","","10.1039/b010099o","","","","","","","","","","","","","","","","","","","","","has coordinates","202017","2020-10-21","18:00:00","" "7051099","13.342","0.002","16.113","0.002","25.563","0.002","80.02","0.01","77.7","0.01","69.65","0.01","5004.6","1.1","180","2","180","2","","","","","","","","5","P -1","-P 1","2","","","","- C89 H111 N5 O3 Ru -","- C89 H111 N5 O3 Ru -","- C178 H222 N10 O6 Ru2 -","2","1","","Maiya, Bhaskar G.; Bampos, Nick; Asok Kumar, A.; Feeder, Neil; Sanders, Jeremy K. M.","A supramolecular array assembled via the complementary binding properties of ruthenium(II) and tin(IV) porphyrins","New Journal of Chemistry","2001","25","6","797","","10.1039/b010148f","","","0.71073","MoKα","","0.1153","0.0779","","","0.2352","0.264","","","","","","1.055","","","","has coordinates,has disorder","213973","2020-10-21","18:00:00","" "7051100","12.978","0.0008","20.976","0.001","11.3418","0.0007","90","","93.216","0.001","90","","3082.6","0.3","298.2","","298.2","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C40 H54 N8 O25 Tb4 -","- C40 H54 N8 O25 Tb4 -","- C80 H108 N16 O50 Tb8 -","2","0.5","","Gao, S.; Lam, A. W.-H.; Wen, G.; Wong, W.-T.; Zhang, X.-X.","","New Journal of Chemistry","2001","","","","","10.1039/b010193l","","","","","","","0.0605","","","0.071","","","","","","","","","","","has coordinates","176453","2020-10-21","18:00:00","" "7051101","9.191","0.001","12.292","0.001","21.682","0.002","90","","90","","90","","2449.5","0.4","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C30 H32 N3 -","- C30 H33 N3 -","- C120 H132 N12 -","4","1","","Ch. Schmidt; E. F. Paulus; V. Boehmer; W. Vogt","","New Journal of Chemistry","2001","","","","","10.1039/b010210p","","","","","","","","","","","","","","","","","","","","","has coordinates","202017","2020-10-21","18:00:00","" "7051102","14.969","0.004","7.986","0.007","20.429","0.01","90","","90","","90","","2442","2","293","2","293","2","","","","","","","","7","C m c m","-C 2c 2","63","","","","- C25 H16 F3 Mn N6 O5 S -","- C25 H12 F3 Mn N6 O5 S -","- C100 H48 F12 Mn4 N24 O20 S4 -","4","0.25","","Courseille, Christian; Dautant, A.; Mathoniere, C.; Pierre, C.; Verlhac, Jean-Baptiste; Vincent, J.-M.","","New Journal of Chemistry","2001","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00","" "7051103","9.0532","0.0004","18.5975","0.0009","13.4262","0.0008","90","","92.218","0.002","90","","2258.8","0.2","110","2","110","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C54 H52 N2 P2 S2 -","- C54 H52 N2 P2 S2 -","- C108 H104 N4 P4 S4 -","2","1","","Andrieu, Jacques; Camus, Jean-Michel; Poli, Rinaldo; Richard, Philippe","New chiral α-aminophosphine oxides and sulfides: an unprecedented rhodium-catalyzed ligand epimerization","New Journal of Chemistry","2001","25","8","1015","","10.1039/b100217l","","","0.71069","MoKα","","0.0689","0.0425","","","0.0753","0.0829","","","","","","0.992","","","","has coordinates","213973","2020-10-21","18:00:00","" "7051104","5.804","0.001","16.911","0.003","23.518","0.006","90","","90","","90","","2308.3","0.8","110","2","110","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C27 H26 N O P -","- C27 H26 N O P -","- C108 H104 N4 O4 P4 -","4","1","","Andrieu, Jacques; Camus, Jean-Michel; Poli, Rinaldo; Richard, Philippe","New chiral α-aminophosphine oxides and sulfides: an unprecedented rhodium-catalyzed ligand epimerization","New Journal of Chemistry","2001","25","8","1015","","10.1039/b100217l","","","0.71073","MoKα","","0.0409","0.0358","","","0.0858","0.0891","","","","","","1.045","","","","has coordinates","213973","2020-10-21","18:00:00","" "7051105","8.023","0.0001","8.234","0.0001","33.321","0.0005","90","","90.401","0.0005","90","","2201.18","0.05","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C23 H30 Cl2 N2 Ru -","- C23 H30 Cl2 N2 Ru -","- C92 H120 Cl8 N8 Ru4 -","4","1","","Bekir Çetinkaya; Serpil Demir; Ismail Özdemir; Loïc Toupet; David Sémeril; Christian Bruneau; Pierre H. Dixneuf","First ruthenium complexes with a chelating arene carbene ligand as catalytic precursors for alkene metathesis and cycloisomerisation","New J. Chem.","2001","25","4","519","521","10.1039/b100264n","","","0.71069","MoKα","","0.0381","0.0319","","","0.0907","0.0953","","","","","","1.04","","","","has coordinates","180065","2020-10-21","18:00:00","" "7051106","11.6439","0.0001","12.7731","0.0002","15.5221","0.0003","81.983","0.001","71.16","","86.863","0.001","2163.43","0.06","293","2","","","","","","","","","","6","P 1","P 1","1","","","","- C77 H83 Cl16 Co N6 O8 -","- C77 H83 Cl16 Co N6 O8 -","- C77 H83 Cl16 Co N6 O8 -","1","1","","Jean-Pierre Simonato; Sabrina Chappellet; Jacques Pécaut; Paul Baret; Jean-Claude Marchon","Evaluation of cobalt(III) tetramethylchiroporphyrin as an analytical reagent for the determination of enantiomer composition of primary amines and aziridines by 1H NMR spectroscopy","New J. Chem.","2001","25","5","714","720","10.1039/b100268f","","","0.71073","MoKα","","0.0796","0.0632","","0.1702","0.1576","","","","0.995","1.053","1.053","","","","","has coordinates","180065","2020-10-21","18:00:00","" "7051107","11.8042","0.0001","11.8042","0.0001","38.5292","0.0001","90","","90","","120","","4649.37","0.06","193","2","","","","","","","","","","6","P 62 2 2","P 62 2 (0 0 4)","180","","","","- C56 H84 Cl Co N6 O12 -","- C56 H74 Cl Co N6 O12 -","- C168 H222 Cl3 Co3 N18 O36 -","3","0.25","","Jean-Pierre Simonato; Sabrina Chappellet; Jacques Pécaut; Paul Baret; Jean-Claude Marchon","Evaluation of cobalt(III) tetramethylchiroporphyrin as an analytical reagent for the determination of enantiomer composition of primary amines and aziridines by 1H NMR spectroscopy","New J. Chem.","2001","25","5","714","720","10.1039/b100268f","","","0.71073","MoKα","","0.0891","0.0684","","","0.1737","0.1857","","","","","","1.304","","","","has coordinates,has disorder","180065","2020-10-21","18:00:00","" "7051108","11.798","0.007","9.585","0.007","14.167","0.003","90","","110.95","0.02","90","","1496.2","1.4","293","2","293","2","","","","","","","","6","P 1 2/a 1","-P 2ya","13","","","","- C36 H88 Cl3 Cu4 N11 O24 -","- C36 H88 Cl3 Cu4 N11 O24 -","- C36 H88 Cl3 Cu4 N11 O24 -","1","0.25","","Chaudhuri, N. R.; Hibbs, W.; Maji, T. K.; Mostafa, G.; Mukherjee, Partha Sarathi","","New Journal of Chemistry","2001","","","","","10.1039/b100468i","","","","","","","0.0988","","","0.2261","","","","","","","","","","","has coordinates,has disorder","180065","2020-10-21","18:00:00","" "7051109","17.626","0.0006","18.719","0.0005","19.882","0.0005","115.972","0.0015","94.19","0.0017","104.525","0.0016","5581.4","0.3","110","2","110","2","","","","","","","","5","P -1","-P 1","2","","","","- C66 H44 N7 Na O14 -","- C48 H29 N4 Na O8 -","- C192 H116 N16 Na4 O32 -","4","2","","Diskin-Posner, Yael; Goldberg, I.","","New Journal of Chemistry","2001","","","","","10.1039/b100580b","","","","","","","","","","","","","","","","","","","","","has coordinates","183806","2020-10-21","18:00:00","" "7051110","19.271","0.0005","26.212","0.0009","24.016","0.0007","90","","92.218","0.0018","90","","12122.1","0.6","110","2","110","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C72 H49 N8 Na O16 -","- C54 H34 N5 Na O10 -","- C432 H272 N40 Na8 O80 -","8","1","","Diskin-Posner, Yael; Goldberg, I.","","New Journal of Chemistry","2001","","","","","10.1039/b100580b","","","","","","","","","","","","","","","","","","","","","has coordinates","180065","2020-10-21","18:00:00","" "7051111","10.864","0.0007","21.562","0.0011","45.165","0.003","90","","93.858","0.002","90","","10555.9","1","110","2","110","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C64 H49 N4 Na O9 Zn -","- C48 H27 N4 Na O9 Zn -","- C384 H216 N32 Na8 O72 Zn8 -","8","2","","Diskin-Posner, Yael; Goldberg, I.","","New Journal of Chemistry","2001","","","","","10.1039/b100580b","","","","","","","","","","","","","","","","","","","","","has coordinates","183806","2020-10-21","18:00:00","" "7051112","30.715","0.0005","13.796","0.0003","33.555","0.0008","90","","92.799","0.0006","90","","14201.8","0.5","110","2","110","2","","","","","","","","6","P 1 2/c 1","-P 2yc","13","","","","- C142 H145 N10 Na5 O38 Zn2 -","- C130 H92 N10 Na5 O26 Zn2 -","- C520 H368 N40 Na20 O104 Zn8 -","4","1","","Diskin-Posner, Yael; Goldberg, I.","","New Journal of Chemistry","2001","","","","","10.1039/b100580b","","","","","","","","","","","","","","","","","","","","","has coordinates","180065","2020-10-21","18:00:00","" "7051113","9.5318","0.0016","15.85","0.002","10.3573","0.0011","90","","110.16","","90","","1468.9","0.3","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","1,10-Dibromo-4,7-bis-(3-bromo-prop-1-ynyl)-4,7-bisbenzoyloxy-dodeca- 2,8-diyne","","- C30 H26 Br4 O2 -","- C30 H26 Br4 O2 -","- C60 H52 Br8 O4 -","2","0.5","","König, Burkhard; Pitsch, Wolfgang; Dix, Ina; Jones, Peter G.","Synthesis and structure of bicyclic enediynes via twofold carbenoid ring closure","New Journal of Chemistry","2001","25","7","912","916","10.1039/b101572a","","","0.71073","MoKα","","0.1093","0.047","","0.1061","0.0932","","","","0.903","1.1","1.1","","","","","has coordinates","210356","2020-10-21","18:00:00","" "7051114","9.108","0.004","11.199","0.003","25.19","0.006","96.03","0.03","97.718","0.018","109.5","0.03","2369","1.4","143","2","143","2","","","","","","","","3","P -1","-P 1","2","","1,8-Dibenzoyloxy-bicyclo[6.6.4]octadeca-4,11-diene-2,6,9,13-tetrayne","","- C32 H26 O2 -","- C32 H26 O2 -","- C128 H104 O8 -","4","2","","König, Burkhard; Pitsch, Wolfgang; Dix, Ina; Jones, Peter G.","Synthesis and structure of bicyclic enediynes via twofold carbenoid ring closure","New Journal of Chemistry","2001","25","7","912","916","10.1039/b101572a","","","0.71073","MoKα","","0.1476","0.0612","","0.1446","0.1111","","","","1.018","1.137","1.137","","","","","has coordinates,has disorder","210356","2020-10-21","18:00:00","" "7051115","11.7417","0.0002","15.7638","0.0002","16.3452","0.0002","61.8921","0.0003","88.7569","0.0008","78.1825","0.0009","2602.21","0.07","173","2","173","2","","","","","","","","3","P -1","-P 1","2","","","","- C14 H18 N2 -","- C14 H18 N2 -","- C112 H144 N16 -","8","4","","Trofimenko, Swiatoslaw; Rheingold, Arnold L.; Liable-Sands, Louise M.; María Claramunt, Rosa; López, Concepción; Dolores Santa María, María; Elguero, Jose","The molecular structure of 4-tert-butylpyrazoles in the solid state and in solution: an X-ray, NMR and calorimetric study of the buttressing effect of a 4-tert-butyl substituent","New Journal of Chemistry","2001","25","6","819","","10.1039/b101733k","","","0.71073","MoKα","","0.1115","0.0646","","","0.1678","0.2059","","","","","","1.065","","","","has coordinates","202017","2020-10-21","18:00:00","" "7051116","18.9969","0.001","18.9969","0.001","13.3498","0.001","90","","90","","90","","4817.7","0.5","173","2","173","2","","","","","","","","3","I 41/a :2","-I 4ad","88","","","","- C12 H22 N2 -","- C12 H22 N2 -","- C192 H352 N32 -","16","1","","Trofimenko, Swiatoslaw; Rheingold, Arnold L.; Liable-Sands, Louise M.; María Claramunt, Rosa; López, Concepción; Dolores Santa María, María; Elguero, Jose","The molecular structure of 4-tert-butylpyrazoles in the solid state and in solution: an X-ray, NMR and calorimetric study of the buttressing effect of a 4-tert-butyl substituent","New Journal of Chemistry","2001","25","6","819","","10.1039/b101733k","","","0.71073","MoKα","","0.1141","0.0609","","","0.1123","0.1388","","","","","","1.056","","","","has coordinates","202017","2020-10-21","18:00:00","" "7051117","12.7395","0.0004","28.0431","0.0007","12.2071","0.0003","90","","98.0824","0.0019","90","","4317.7","0.2","173","2","173","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C10 H18 N2 -","- C10 H18 N2 -","- C160 H288 N32 -","16","2","","Trofimenko, Swiatoslaw; Rheingold, Arnold L.; Liable-Sands, Louise M.; María Claramunt, Rosa; López, Concepción; Dolores Santa María, María; Elguero, Jose","The molecular structure of 4-tert-butylpyrazoles in the solid state and in solution: an X-ray, NMR and calorimetric study of the buttressing effect of a 4-tert-butyl substituent","New Journal of Chemistry","2001","25","6","819","","10.1039/b101733k","","","0.71073","MoKα","","0.1077","0.0685","","","0.1308","0.1522","","","","","","1.185","","","","has coordinates","202017","2020-10-21","18:00:00","" "7051118","15.049","0.002","15.049","0.002","18.794","0.004","90","","90","","120","","3686.1","1","293","2","293","2","","","","","","","","6","P -3 c 1","-P 3 2""c","165","","","","- C48 H126 Cr2 N30 Ni3 O24 -","- C48 H106.02 Cr2 N30 Ni3 O14 -","- C96 H212.04 Cr4 N60 Ni6 O28 -","2","0.166667","","Xiang, Hua; Gao, Song; Lu, Tong-Bu; Luck, Rudy L.; Mao, Zong-Wan; Chen, Xiao-Ming; Ji, Liang-Nian","[NiL1]3[Cr(CN)6]2·18H2O [L1=3,10-bis(2-hydroxyethyl)- 1,3,5,8,10,12-hexaazacyclotetradecane]: a two-dimensional bimetallic assembly exhibiting antiferromagnetic ordering and metamagnetic behavior","New Journal of Chemistry","2001","25","6","875","","10.1039/b101778k","","","0.71073","MoKα","","0.0748","0.0324","","","0.0859","0.1007","","","","","","1.004","","","","has coordinates","180065","2020-10-21","18:00:00","" "7051119","15.004","0.004","10.412","0.004","16.228","0.002","90","","112.69","0.01","90","","2339","1.1","296","","296","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C12 H33 Cl3 Cu2 N4 O3 Zn -","- C12 H33 Cl3 Cu2 N4 O3 Zn -","- C48 H132 Cl12 Cu8 N16 O12 Zn4 -","4","1","","Elena A. Vinogradova; Olga Yu. Vassilyeva; Volodymyr N. Kokozay; Philip J. Squattrito; Jan Reedijk; Gerard A. Van Albada; Wolfgang Linert; Satish K. Tiwary; Paul R. Raithby","Symmetric and asymmetric trinuclear cores in novel μ-alkoxo-bridged mixed-metal CuII2ZnII complexes: synthesis from zerovalent copper and zinc oxide, structure and magnetism","New J. Chem.","2001","25","7","949","953","10.1039/b101883n","","","0.7107","MoKα","","","0.032","","","","0.031","","","","","","1.68","","","","has coordinates","176453","2020-10-21","18:00:00","" "7051120","15.214","0.003","10.478","0.002","16.526","0.003","90","","113.69","0.03","90","","2412.4","1","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C12 H33 Br3 Cu2 N4 O3 Zn -","- C12 H33 Br3 Cu2 N4 O3 Zn -","- C48 H132 Br12 Cu8 N16 O12 Zn4 -","4","1","","Elena A. Vinogradova; Olga Yu. Vassilyeva; Volodymyr N. Kokozay; Philip J. Squattrito; Jan Reedijk; Gerard A. Van Albada; Wolfgang Linert; Satish K. Tiwary; Paul R. Raithby","Symmetric and asymmetric trinuclear cores in novel μ-alkoxo-bridged mixed-metal CuII2ZnII complexes: synthesis from zerovalent copper and zinc oxide, structure and magnetism","New J. Chem.","2001","25","7","949","953","10.1039/b101883n","","","0.71073","MoKα","","0.1024","0.0679","","0.1966","0.1665","","","","1.013","1.07","1.07","","","","","has coordinates","180065","2020-10-21","18:00:00","" "7051121","14.288","0.003","19.827","0.004","10.079","0.002","90","","90","","90","","2855.3","1","180","2","180","2","","","","","","","","7","C m c 21","C 2c -2","36","","","","- C17 H33 Cu2 N7 O3 S3 Zn -","- C17 H33 Cu2 N7 O3 S3 Zn -","- C68 H132 Cu8 N28 O12 S12 Zn4 -","4","0.5","","Elena A. Vinogradova; Olga Yu. Vassilyeva; Volodymyr N. Kokozay; Philip J. Squattrito; Jan Reedijk; Gerard A. Van Albada; Wolfgang Linert; Satish K. Tiwary; Paul R. Raithby","Symmetric and asymmetric trinuclear cores in novel μ-alkoxo-bridged mixed-metal CuII2ZnII complexes: synthesis from zerovalent copper and zinc oxide, structure and magnetism","New J. Chem.","2001","25","7","949","953","10.1039/b101883n","","","0.71073","MoKα","","0.1166","0.0635","","","0.1096","0.1311","","","","","","1.005","","","","has coordinates,has disorder","180065","2020-10-21","18:00:00","" "7051122","7.1504","0.0001","13.5269","0.0002","13.5587","0.0002","63.756","0.001","80.888","0.001","81.243","0.001","1156.39","0.03","293","2","293","2","","","","","","","","3","P -1","-P 1","2","Trimesic acid. phloroglucinol","","","- C24 H18 O15 -","- C24 H18 O15 -","- C48 H36 O30 -","2","1","","Liu, Rong; Mok, Kum-Fun; Valiyaveettil, Suresh","Solid-state self-assembly of a complex from 1,3,5-benzenetricarboxylic acid and 1,3,5-trihydroxybenzene: influence of strong O‒H···O and C‒H···O hydrogen bonds","New Journal of Chemistry","2001","25","7","890","","10.1039/b102098f","","","0.71073","MoKα","","0.0447","0.0368","","","0.1069","0.1112","","","","","","1.062","","","","has coordinates","202017","2020-10-21","18:00:00","" "7051123","16.203","0.003","13.122","0.003","10.438","0.002","90","","90","","90","","2219","1","110","","110","","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C16 H8 Fe2 N16 O -","- C14 H7 Fe2 N15 O0.5 -","- C56 H28 Fe8 N60 O2 -","4","0.5","","Triki, Smail; Thetiot, Franck; Galan-Mascaros, Jose-Ramon; Sala Pala, Jean; Dunbar, R. Kim","New Compounds with Bridging Dicyanamide and Bis-Chelating 2,2'-Bipyrimidine Ligands: Syntheses, Structural Characterization and Magnetic Properties of Two-Dimensional Materials [Fe2(dca)4(bpym)].H2O and [Fe2(dca)4(bpym)(H2O)2].","New Journal of Chemistry","2001","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","277870","2022-09-15","11:09:05","" "7051124","8.384","0.002","9.223","0.002","13.983","0.003","90","","90.95","0.03","90","","1081.1","0.7","110","","110","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C16 H10 Fe2 N16 O2 -","- C16 H10 Fe2 N16 O2 -","- C32 H20 Fe4 N32 O4 -","2","0.5","","Triki, Smail; Thetiot, Franck; Galan-Mascaros, Jose-Ramon; Sala Pala, Jean; Dunbar, R. Kim","New Compounds with Bridging Dicyanamide and Bis-Chelating 2,2'-Bipyrimidine Ligands: Syntheses, Structural Characterization and Magnetic Properties of Two-Dimensional Materials [Fe2(dca)4(bpym)].H2O and [Fe2(dca)4(bpym)(H2O)2].","New Journal of Chemistry","2001","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","176453","2020-10-21","18:00:00","" "7051125","9.501","0.003","16.156","0.003","11.009","0.003","90","","112.91","0.02","90","","1556.6","0.7","293","2","293","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C18 H16 N O P -","- C18 H16 N O P -","- C72 H64 N4 O4 P4 -","4","1","","Andrews, C. D.; Burrows, A. D.; Lynam, J. M.; Mahon, M.; Palmer, M. T.","","New Journal of Chemistry","2001","","","","","10.1039/b102193l","","","","","","","","","","","","","","","","","","","","","has coordinates","202017","2020-10-21","18:00:00","" "7051126","9.762","0.003","10.383","0.004","14.411","0.005","110.5","0.03","93.69","0.03","100.85","0.03","1330.2","0.8","170","2","170","2","","","","","","","","7","P -1","-P 1","2","","","","- C25.5 H22 Cl2 Mo N O3 P -","- C25.5 H21 Cl2 Mo N O3 P -","- C51 H42 Cl4 Mo2 N2 O6 P2 -","2","1","","Andrews, C. D.; Burrows, A. D.; Lynam, J. M.; Mahon, M.; Palmer, M. T.","","New Journal of Chemistry","2001","","","","","10.1039/b102193l","","","","","","","","","","","","","","","","","","","","","has coordinates","176453","2020-10-21","18:00:00","" "7051127","29.1337","0.0002","29.1337","0.0002","19.7246","0.0002","90","","90","","90","","16741.7","0.2","293","2","293","2","","","","","","","","8","I 41/a :2","-I 4ad","88","","","","- C32 H41 Cu2 Mo N2 O P2 S5 -","- C32 H41 Cu2 Mo N2 O P2 S5 -","- C512 H656 Cu32 Mo16 N32 O16 P32 S80 -","16","1","","Fun, Hoong-Kun; Li, Feng; Niu, Yunyin; Song, Yinglin; Xin, Xinquan; Zheng, Hegen","","New Journal of Chemistry","2001","","","","","10.1039/b102238p","","","","","","","","","","","","","","","","","","","","","has coordinates","180065","2020-10-21","18:00:00","" "7051128","12.374","0.002","10.334","0.002","9.428","0.002","90","","92.83","0.03","90","","1204.1","0.4","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","C6 H17 N O6 P2, H2 O","N-n-pentylaminomethane-1.1-diphosphonic acid","","- C6 H19 N O7 P2 -","- C6 H19 N O7 P2 -","- C24 H76 N4 O28 P8 -","4","1","","Ewa Matczak-Jon; Wanda Sawka-Dobrowolska; Paweł Kafarski; Veneta Videnova-Adrabińska","Molecular organization and solution properties of N-substituted aminomethane-1,1-diphosphonic acids","New J. Chem.","2001","25","11","1447","1457","10.1039/b102282m","","","0.71073","MoKα","","0.0731","0.0363","","","0.0596","0.0678","","","","","","0.885","","","","has coordinates","180065","2020-10-21","18:00:00","" "7051129","7.167","0.001","7.535","0.001","10.052","0.002","98.14","0.01","99.1","0.01","99.59","0.01","520.6","0.15","100","2","100","2","","","","","","","","5","P -1","-P 1","2","C5 H13 N O6 P2, H2 O","N-pyrrolidinemethane-1,1-diphosphonic acid","","- C5 H15 N O7 P2 -","- C5 H15 N O7 P2 -","- C10 H30 N2 O14 P4 -","2","1","","Ewa Matczak-Jon; Wanda Sawka-Dobrowolska; Paweł Kafarski; Veneta Videnova-Adrabińska","Molecular organization and solution properties of N-substituted aminomethane-1,1-diphosphonic acids","New J. Chem.","2001","25","11","1447","1457","10.1039/b102282m","","","0.71073","MoKα","","0.0374","0.0341","","","0.0909","0.0928","","","","","","1.082","","","","has coordinates","180065","2020-10-21","18:00:00","" "7051130","11.128","0.002","8.248","0.002","13.527","0.003","90","","101.97","0.03","90","","1214.6","0.5","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","N-(3-carboxy-2-pyridyl)aminomethane-1,1-diphosphonic acid","","- C7 H12 N2 O9 P2 -","- C7 H12 N2 O9 P2 -","- C28 H48 N8 O36 P8 -","4","1","","Ewa Matczak-Jon; Wanda Sawka-Dobrowolska; Paweł Kafarski; Veneta Videnova-Adrabińska","Molecular organization and solution properties of N-substituted aminomethane-1,1-diphosphonic acids","New J. Chem.","2001","25","11","1447","1457","10.1039/b102282m","","","0.71073","MoKα","","0.0685","0.0438","","","0.0925","0.0983","","","","","","1.082","","","","has coordinates","180065","2020-10-21","18:00:00","" "7051131","7.313","0.001","15.94","0.003","9.421","0.002","90","","97.49","0.03","90","","1088.8","0.4","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","N-(5-methyl-2-pyridyl)aminomethane-1,1-diphosphonic acid","","- C7 H12 N2 O6 P2 -","- C7 H12 N2 O6 P2 -","- C28 H48 N8 O24 P8 -","4","2","","Ewa Matczak-Jon; Wanda Sawka-Dobrowolska; Paweł Kafarski; Veneta Videnova-Adrabińska","Molecular organization and solution properties of N-substituted aminomethane-1,1-diphosphonic acids","New J. Chem.","2001","25","11","1447","1457","10.1039/b102282m","","","0.71073","MoKα","","0.0909","0.089","","","0.2504","0.25","","","","","","1.056","","","","has coordinates","202017","2020-10-21","18:00:00","" "7051132","15.798","0.005","15.798","0.005","15.674","0.007","90","","90","","90","","3912","2","295","","295","","","","","","","","","6","P 4/n c c :2","-P 4a 2ac","130","","","","- C27 H24 Co N6 O S2 -","- C25 H20 Co0.25 N5 S -","- C100 H80 Co N20 S4 -","4","0.25","","De Munno, Giovanni; Francesca Cipriani; Donatella Armentano; Miguel Julve; Jose Antonio Real","Polycatenane systems from Co(II) and trans-1,2-bis(4-pyridyl)ethene [bpe]. Synthesis and structure of [Co(bpe)2(NCS)2].CH3OH, [Co(bpe)2(H2O)2](ClO4)2.2CH3OH and [Co(bpe)2(H2O)2(CH3OH)2](ClO4)2.bpe.H2O","New Journal of Chemistry","2001","","","","","","","","","","","","8.48","","","13.17","","","","","","","","","","","has coordinates","176453","2020-10-21","18:00:00","" "7051133","19.49","0.005","19.49","0.005","16.508","0.007","90","","90","","90","","6271","3","295","","295","","","","","","","","","6","I 41 c d","I 4bw -2c","110","","","","- C26 H32 Cl2 Co N4 O12 -","- C26 H32 Cl2 Co0.5 N4 O11 -","- C208 H256 Cl16 Co4 N32 O88 -","8","0.5","","De Munno, Giovanni; Francesca Cipriani; Donatella Armentano; Miguel Julve; Jose Antonio Real","Polycatenane systems from Co(II) and trans-1,2-bis(4-pyridyl)ethene [bpe]. Synthesis and structure of [Co(bpe)2(NCS)2].CH3OH, [Co(bpe)2(H2O)2](ClO4)2.2CH3OH and [Co(bpe)2(H2O)2(CH3OH)2](ClO4)2.bpe.H2O","New Journal of Chemistry","2001","","","","","","","","","","","","7.18","","","7.66","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00","" "7051134","8.958","0.004","11.093","0.007","12.994","0.005","105.73","0.05","94.55","0.03","113.6","","1112.8","0.9","295","","295","","","","","","","","","6","P -1","-P 1","2","","","","- C38 H44 Cl2 Co N6 O13 -","- C40 H42 Co0.5 N6 O14 -","- C40 H42 Co0.5 N6 O14 -","1","0.5","","De Munno, Giovanni; Francesca Cipriani; Donatella Armentano; Miguel Julve; Jose Antonio Real","Polycatenane systems from Co(II) and trans-1,2-bis(4-pyridyl)ethene [bpe]. Synthesis and structure of [Co(bpe)2(NCS)2].CH3OH, [Co(bpe)2(H2O)2](ClO4)2.2CH3OH and [Co(bpe)2(H2O)2(CH3OH)2](ClO4)2.bpe.H2O","New Journal of Chemistry","2001","","","","","","","","","","","","7.22","","","11.98","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00","" "7051135","7.729","0.008","10.712","0.002","13.985","0.004","90","","101.65","0.04","90","","1134","1.2","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C9 H9 Cl N4 O Pd -","- C9 H9 Cl N4 O Pd -","- C36 H36 Cl4 N16 O4 Pd4 -","4","1","","José Elguero; Ana Guerrero; Felipe Gómez de la Torre; Antonio de la Hoz; Félix A. Jalón; Blanca R. Manzano; Ana Rodríguez","New complexes with pyrazole-containing ligands and different metallic centres. Comparative study of their fluxional behaviour involving M‒N bond rupture","New J. Chem.","2001","25","8","1050","1060","10.1039/b102318g","","","0.71073","MoKα","","0.0819","0.0435","","","0.1026","0.1199","","","","","","0.883","","","","has coordinates","213973","2020-10-21","18:00:00","" "7051136","7.623","0.004","10.1347","0.0008","11.927","0.001","66.511","0.008","79.73","0.02","81.53","0.02","828.6","0.5","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C12 H11 F3 N4 O3 Pd S -","- C12 H11 F3 N4 O3 Pd S -","- C24 H22 F6 N8 O6 Pd2 S2 -","2","1","","José Elguero; Ana Guerrero; Felipe Gómez de la Torre; Antonio de la Hoz; Félix A. Jalón; Blanca R. Manzano; Ana Rodríguez","New complexes with pyrazole-containing ligands and different metallic centres. Comparative study of their fluxional behaviour involving M‒N bond rupture","New J. Chem.","2001","25","8","1050","1060","10.1039/b102318g","","","0.7107","MoKα","","0.0768","0.0595","","","0.1762","0.2064","","","","","","1.011","","","","has coordinates,has disorder","180065","2020-10-21","18:00:00","" "7051137","10.075","0.001","9.034","0.002","22.973","0.007","90","","92.7","0.02","90","","2088.6","0.8","296","","","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C16 H9 Co Mo O10 Ru S -","- C16 H9 Co Mo O10 Ru S -","- C64 H36 Co4 Mo4 O40 Ru4 S4 -","4","1","","Zhang Yu-hua; Yuan Jian-chao; Yin Yuan-qi; Zhou Zhong-yuan; Albert S. C. Chan","Synthesis and reactions of chiral clusters containing an SRuCoMo core","New J. Chem.","2001","25","7","939","944","10.1039/b102368n","","","0.71073","MoKα","","","0.03","","","0.042","","","","","1.23","1.23","","","","","has coordinates","193981","2020-10-21","18:00:00","" "7051138","7.67","0.003","22.001","0.01","13.392","0.006","90","","92.23","0.009","90","","2258.2","1.7","294","2","294","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C18 H11 Co Mo O11 Ru S -","- C18 H11 Co Mo O11 Ru S -","- C72 H44 Co4 Mo4 O44 Ru4 S4 -","4","1","","Zhang Yu-hua; Yuan Jian-chao; Yin Yuan-qi; Zhou Zhong-yuan; Albert S. C. Chan","Synthesis and reactions of chiral clusters containing an SRuCoMo core","New J. Chem.","2001","25","7","939","944","10.1039/b102368n","","","0.71073","MoKα","","0.088","0.0594","","","0.1462","0.1659","","","","","","0.955","","","","has coordinates","180065","2020-10-21","18:00:00","" "7051139","7.43","0.003","14.002","0.005","15.206","0.006","114.78","0.02","80.67","0.03","98.49","0.03","1411.7","1","293","2","293","2","","","","","","","","8","P -1","-P 1","2","","","","- C30 H27 B Cu F4 N4 O P -","- C30 H27 B Cu F4 N4 O P -","- C60 H54 B2 Cu2 F8 N8 O2 P2 -","2","1","","Douce, Laurent; Charbonnière, Loïc; Cesario, Michèle; Ziessel, Raymond","Phosphine oxide functionalised with two bipyridine subunits: a novel ligand for the engineering of sterically hindered complexes","New Journal of Chemistry","2001","25","8","1024","","10.1039/b102520c","","","0.7107","MoKα","","0.1109","0.0683","","0.1953","","0.1668","","","1.033","","","1.112","","","","has coordinates,has disorder","180065","2020-10-21","18:00:00","" "7051140","10.3346","0.0003","10.5105","0.0003","17.3351","0.0004","90","","90","","90","","1882.97","0.09","173","0.1","173","0.1","","","","","","","","3","P n c a","-P 2a 2n","60","","","","- C23 H22 S2 -","- C23 H22 S2 -","- C92 H88 S8 -","4","0.5","","Lahtinen, Tanja; Wegelius, Elina; Rissanen, Kari","Synthesis and X-ray structures of new concave π-prismand hydrocarbon [2.2.1]m,p,p- and [2.2.1]p,p,p-cyclophanes","New Journal of Chemistry","2001","25","7","905","","10.1039/b102725p","","","0.71073","MoKα","","0.0434","0.0374","","","0.0979","0.1026","","","","","","1.057","","","","has coordinates","213973","2020-10-21","18:00:00","" "7051141","10.9684","0.0007","10.2645","0.0006","16.6081","0.001","90","","91.0448","0.0031","90","","1869.5","0.2","173","0.1","173","0.1","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C23 H22 S2 -","- C23 H22 S2 -","- C92 H88 S8 -","4","1","","Lahtinen, Tanja; Wegelius, Elina; Rissanen, Kari","Synthesis and X-ray structures of new concave π-prismand hydrocarbon [2.2.1]m,p,p- and [2.2.1]p,p,p-cyclophanes","New Journal of Chemistry","2001","25","7","905","","10.1039/b102725p","","","0.71073","MoKα","","0.0869","0.0633","","","0.1246","0.1311","","","","","","1.228","","","","has coordinates","213973","2020-10-21","18:00:00","" "7051142","10.2631","0.0008","10.4883","0.0005","15.9213","0.0012","90","","90","","90","","1713.8","0.2","173","0.1","173","0.1","","","","","","","","2","P 21 n b","P -2bc 2a","33","","","","- C23 H22 -","- C23 H22 -","- C92 H88 -","4","1","","Lahtinen, Tanja; Wegelius, Elina; Rissanen, Kari","Synthesis and X-ray structures of new concave π-prismand hydrocarbon [2.2.1]m,p,p- and [2.2.1]p,p,p-cyclophanes","New Journal of Chemistry","2001","25","7","905","","10.1039/b102725p","","","0.71073","MoKα","","0.0494","0.0371","","","0.0657","0.0688","","","","","","1.085","","","","has coordinates","213973","2020-10-21","18:00:00","" "7051143","9.669","0.0006","9.669","0.0006","18.4244","0.0009","90","","90","","90","","1722.49","0.17","173","0.1","173","0.1","","","","","","","","2","P 41","P 4w","76","","","","- C23 H22 -","- C23 H22 -","- C92 H88 -","4","1","","Lahtinen, Tanja; Wegelius, Elina; Rissanen, Kari","Synthesis and X-ray structures of new concave π-prismand hydrocarbon [2.2.1]m,p,p- and [2.2.1]p,p,p-cyclophanes","New Journal of Chemistry","2001","25","7","905","","10.1039/b102725p","","","0.71073","MoKα","","0.0486","0.0386","","","0.0785","0.0818","","","","","","1.08","","","","has coordinates","213973","2020-10-21","18:00:00","" "7051144","11.7142","0.0006","13.7436","0.0005","13.8602","0.0006","90","","90","","90","","2231.43","0.17","173","0.1","173","0.1","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C24 H22 Ag F3 O3 S -","- C24 H22 Ag F3 O3 S -","- C96 H88 Ag4 F12 O12 S4 -","4","1","","Lahtinen, Tanja; Wegelius, Elina; Rissanen, Kari","Synthesis and X-ray structures of new concave π-prismand hydrocarbon [2.2.1]m,p,p- and [2.2.1]p,p,p-cyclophanes","New Journal of Chemistry","2001","25","7","905","","10.1039/b102725p","","","0.71073","MoKα","","0.0588","0.0435","","","0.0633","0.0658","","","","","","1.095","","","","has coordinates","213973","2020-10-21","18:00:00","" "7051145","10.8557","0.0003","55.1676","0.0018","15.8584","0.0004","90","","90.312","0.0012","90","","9497.2","0.5","173","0.1","173","0.1","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C99 H88 Ag4 F12 O13 S4 -","- C99 H88 Ag4 F12 O13 S4 -","- C396 H352 Ag16 F48 O52 S16 -","4","1","","Lahtinen, Tanja; Wegelius, Elina; Rissanen, Kari","Synthesis and X-ray structures of new concave π-prismand hydrocarbon [2.2.1]m,p,p- and [2.2.1]p,p,p-cyclophanes","New Journal of Chemistry","2001","25","7","905","","10.1039/b102725p","","","0.71073","MoKα","","0.0691","0.0618","","","0.1559","0.1617","","","","","","1.027","","","","has coordinates","180065","2020-10-21","18:00:00","" "7051146","8.6112","0.0003","8.8243","0.0003","9.2589","0.0003","75.17","0.002","71.033","0.003","63.78","0.002","591.64","0.04","125","2","125","2","","","","","","","","5","P -1","-P 1","2","","","","- C13 H11 N S Se -","- C13 H11 N S Se -","- C26 H22 N2 S2 Se2 -","2","1","","Boryczka, Stanisław; Rozenberg, Mark S.; Schreurs, Antoine M. M.; Kroon, Jan; Starikov, Evgeni B.; Steiner, Thomas","A short C‒H···N hydrogen bond with a very strong IR spectroscopic effect","New Journal of Chemistry","2001","25","9","1111","","10.1039/b102727c","","","0.71073","MoKα","","0.0471","0.0407","","","0.1047","0.1089","","","","","","1.029","","","","has coordinates","213973","2020-10-21","18:00:00","" "7051147","13.9348","0.0001","25.2744","0.0003","27.6186","0.0004","98.36","0.001","94.318","0.001","92.105","0.001","9585.21","0.19","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C90 H136 Fe7 Mo24 N18 O140 P16 -","- C90 H73 Fe7 Mo24 N18 O140 P16 -","- C180 H146 Fe14 Mo48 N36 O280 P32 -","2","1","","Chantapromma, S.; Fun, H. F.; Ibrahim, A. R.; You, X.; Zhang, Lijuan; Zhou, Y.","Synthesis and structure of two one-dimensional mixed-valence iron molybdophosphate matrices [Fe2(II)Fe2(III)Mo24(V)(H2PO4)8(HPO4)4(PO4)4O48(OH)12(H2O)4]6-(1) and [Fe(II)Fe(III)Mo12(V)(H2PO4)2(H2-XPO4)(H1+xPO4)(HPO4)2 (PO4)2O24(OH)6(H2O)2= ] (x == 0 ~1)]4- (2) in the presence of Fe(II)(2,2=A1=AF-bipyridine)3","New Journal of Chemistry","2001","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00","" "7051148","13.5955","0.0002","19.1463","0.0001","21.4573","0.0003","95.668","0.001","91.353","0.001","99.809","0.001","5472.19","0.11","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C60 H85 Fe4 Mo12 N12 O73 P8 -","- C60 H48 Fe4 Mo12 N12 O73 P8 -","- C120 H96 Fe8 Mo24 N24 O146 P16 -","2","1","","Chantapromma, S.; Fun, H. F.; Ibrahim, A. R.; You, X.; Zhang, Lijuan; Zhou, Y.","Synthesis and structure of two one-dimensional mixed-valence iron molybdophosphate matrices [Fe2(II)Fe2(III)Mo24(V)(H2PO4)8(HPO4)4(PO4)4O48(OH)12(H2O)4]6-(1) and [Fe(II)Fe(III)Mo12(V)(H2PO4)2(H2-XPO4)(H1+xPO4)(HPO4)2 (PO4)2O24(OH)6(H2O)2= ] (x == 0 ~1)]4- (2) in the presence of Fe(II)(2,2=A1=AF-bipyridine)3","New Journal of Chemistry","2001","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","130149","2020-10-21","18:00:00","" "7051149","14.5678","0.0004","21.2602","0.0001","7.8893","0.0002","90","","90","","90","","2443.43","0.09","293","2","293","2","","","","","","","","6","F m m 2","F 2 -2","42","","","","- Cd Cl0.75 H2.5 Na0.75 O6 P1.5 -","- Cd Cl0.75 H2.5 Na0.75 O6 P1.5 -","- Cd16 Cl12 H40 Na12 O96 P24 -","16","1","","Jayaraman, Krishnamoorthy; Choudhury, Amitava; Vaidhyanathan, Ramanathan; Rao, C. N. R.","A layered chlorophosphate, Na3[Cd4Cl3(HPO4)2(H2PO4)4], containing Na+ ions in the interlamellar space","New Journal of Chemistry","2001","25","9","1199","","10.1039/b103278j","","","0.71073","MoKα","","0.0216","0.0199","","0.045","0.0444","","","","1.027","1.037","1.037","","","","","has coordinates","176453","2020-10-21","18:00:00","" "7051150","9.417","0.003","11.007","0.003","12.204","0.002","90","","98.31","0.02","90","","1251","1","20","","20","","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C24 H26 Ag F3 N2 O5 S -","- C48 H52 Ag2 F6 N4 O10 S2 -","- C48 H52 Ag2 F6 N4 O10 S2 -","","","","Ma, Shuang-Cheng; Wu, Shuang-Ding","Synthesis & Structure of Infinite Single Stranded Coordination Polymers of Optically Active Bis(oxazoline) Ligands With Ag Trifluoromethanesulfonate","New Journal of Chemistry","2001","","","","","","","","","","","","0.054","","","0.069","","","","","","","","","","","has coordinates","176453","2020-10-21","18:00:00","" "7051151","14.684","0.004","10.869","0.003","16.467","0.006","90","","109.14","0.02","90","","2483","1","20","","","","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C46 H44 Ag2 F6 N4 O11 S2 -","- C88 H84 Ag4 F12 N8 O22 S4 -","- C88 H84 Ag4 F12 N8 O22 S4 -","","","","Ma, Shuang-Cheng; Wu, Shuang-Ding","Synthesis & Structure of Infinite Single Stranded Coordination Polymers of Optically Active Bis(oxazoline) Ligands With Ag Trifluoromethanesulfonate","New Journal of Chemistry","2001","","","","","","","","","","","","0.057","","","0.069","","","","","","","","","","","has coordinates","176453","2020-10-21","18:00:00","" "7051152","8.2101","0.0008","9.9396","0.001","10.6382","0.001","90","","90","","90","","868.13","0.15","296","2","296","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C2 H2 Br N3 -","- C2 H2 Br N3 -","- C16 H16 Br8 N24 -","8","1","","Claramunt, Rosa M.; Lopez, Concepcion; Garcia, M. Angeles; Otero, M. Dolores; Torres, M. Rosario; Pinilla, Elena; Alarcon, Sergio H.; AlKorta, Ibon; Elguero, Jose","The structure of halogeno-1,2,4-triazoles in the solid state and in solution.","New Journal of Chemistry","2001","","","","","10.1039/b103405g","","","","","","","","","","","","","","","","","","","","","has coordinates","202017","2020-10-21","18:00:00","" "7051153","10.849","0.002","3.7618","0.0009","9.863","0.002","90","","90","","90","","402.5","0.16","296","2","296","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C2 H2 Cl N3 -","- C2 H2 Cl N3 -","- C8 H8 Cl4 N12 -","4","1","","Claramunt, Rosa M.; Lopez, Concepcion; Garcia, M. Angeles; Otero, M. Dolores; Torres, M. Rosario; Pinilla, Elena; Alarcon, Sergio H.; AlKorta, Ibon; Elguero, Jose","The structure of halogeno-1,2,4-triazoles in the solid state and in solution.","New Journal of Chemistry","2001","","","","","10.1039/b103405g","","","","","","","","","","","","","","","","","","","","","has coordinates","202017","2020-10-21","18:00:00","" "7051154","9.738","0.001","18.582","0.002","12.564","0.001","90","","98.84","0.02","90","","2246.5","0.4","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C24 H21 N O3 P2 S -","- C24 H21 N O3 P2 S -","- C96 H84 N4 O12 P8 S4 -","4","1","","Marek Necas; Mark R. St J. Foreman; Jaromír Marek; J. Derek Woollins; Josef Novosad","New mixed-donor unsymmetrical P‒N‒P ligands and their palladium(II) complexes","New J. Chem.","2001","25","10","1256","1263","10.1039/b103501k","","","0.71073","MoKα","","0.0933","0.0475","","","0.0907","0.1173","","","","","","1.235","","","","has coordinates","202017","2020-10-21","18:00:00","" "7051155","9.745","0.002","18.799","0.004","12.423","0.002","90","","98.21","0.03","90","","2252.5","0.8","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C24 H21 N O3 P2 Se -","- C24 H21 N O3 P2 Se -","- C96 H84 N4 O12 P8 Se4 -","4","1","","Marek Necas; Mark R. St J. Foreman; Jaromír Marek; J. Derek Woollins; Josef Novosad","New mixed-donor unsymmetrical P‒N‒P ligands and their palladium(II) complexes","New J. Chem.","2001","25","10","1256","1263","10.1039/b103501k","","","0.71073","MoKα","","0.112","0.0571","","","0.1239","0.1714","","","","","","1.111","","","","has coordinates","202017","2020-10-21","18:00:00","" "7051156","18.491","0.004","23.2","0.005","9.642","0.002","90","","98.59","0.03","90","","4089.9","1.5","120","2","120","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C18 H25 N O3 P2 Se -","- C18 H25 N O3 P2 Se -","- C144 H200 N8 O24 P16 Se8 -","8","2","","Marek Necas; Mark R. St J. Foreman; Jaromír Marek; J. Derek Woollins; Josef Novosad","New mixed-donor unsymmetrical P‒N‒P ligands and their palladium(II) complexes","New J. Chem.","2001","25","10","1256","1263","10.1039/b103501k","","","0.71073","MoKα","","0.0472","0.034","","","0.0857","0.0895","","","","","","1.054","","","","has coordinates","202017","2020-10-21","18:00:00","" "7051157","23.236","0.005","9.654","0.002","22.026","0.004","90","","108.97","0.03","90","","4672.5","1.8","293","2","293","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C24 H21 N O2 P2 S Se -","- C24 H21 N O2 P2 S Se -","- C192 H168 N8 O16 P16 S8 Se8 -","8","1","","Marek Necas; Mark R. St J. Foreman; Jaromír Marek; J. Derek Woollins; Josef Novosad","New mixed-donor unsymmetrical P‒N‒P ligands and their palladium(II) complexes","New J. Chem.","2001","25","10","1256","1263","10.1039/b103501k","","","0.71073","MoKα","","0.0492","0.0342","","","0.0939","0.1014","","","","","","1.015","","","","has coordinates","202017","2020-10-21","18:00:00","" "7051158","23.166","0.005","9.633","0.002","22.06","0.004","90","","109.23","0.03","90","","4648.2","1.8","130","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C24 H21 N O2 P2 S2 -","- C24 H21 N O2 P2 S2 -","- C192 H168 N8 O16 P16 S16 -","8","1","","Marek Necas; Mark R. St J. Foreman; Jaromír Marek; J. Derek Woollins; Josef Novosad","New mixed-donor unsymmetrical P‒N‒P ligands and their palladium(II) complexes","New J. Chem.","2001","25","10","1256","1263","10.1039/b103501k","","","0.71073","MoKα","","0.043","0.0332","","","0.0936","0.0993","","","","","","1.066","","","","has coordinates","202017","2020-10-21","18:00:00","" "7051159","8.494","0.002","9.173","0.002","13.751","0.003","97.97","0.03","104.38","0.03","92.35","0.03","1024.6","0.4","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C18 H25 N O2 P2 S2 -","- C18 H25 N O2 P2 S2 -","- C36 H50 N2 O4 P4 S4 -","2","1","","Marek Necas; Mark R. St J. Foreman; Jaromír Marek; J. Derek Woollins; Josef Novosad","New mixed-donor unsymmetrical P‒N‒P ligands and their palladium(II) complexes","New J. Chem.","2001","25","10","1256","1263","10.1039/b103501k","","","0.71073","MoKα","","0.1081","0.0771","","","0.1908","0.2127","","","","","","1.089","","","","has coordinates,has disorder","180065","2020-10-21","18:00:00","" "7051160","10.154","0.002","17.574","0.004","22.213","0.004","90","","90","","90","","3963.8","1.4","150","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C18 H25 N P2 S2 -","- C18 H25 N P2 S2 -","- C144 H200 N8 P16 S16 -","8","2","","Marek Necas; Mark R. St J. Foreman; Jaromír Marek; J. Derek Woollins; Josef Novosad","New mixed-donor unsymmetrical P‒N‒P ligands and their palladium(II) complexes","New J. Chem.","2001","25","10","1256","1263","10.1039/b103501k","","","0.71073","MoKα","","0.0324","0.0275","","","0.0737","0.0763","","","","","","1.05","","","","has coordinates","202017","2020-10-21","18:00:00","" "7051161","9.974","0.002","13.675","0.003","15.078","0.003","76.93","0.03","70.93","0.03","68.82","0.03","1798.7","0.8","120","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C19 H16 N O3 P S -","- C19 H16 N O3 P S -","- C76 H64 N4 O12 P4 S4 -","4","2","","Marek Necas; Mark R. St J. Foreman; Jaromír Marek; J. Derek Woollins; Josef Novosad","New mixed-donor unsymmetrical P‒N‒P ligands and their palladium(II) complexes","New J. Chem.","2001","25","10","1256","1263","10.1039/b103501k","","","0.71073","MoKα","","0.0523","0.0334","","","0.078","0.0817","","","","","","0.963","","","","has coordinates","202017","2020-10-21","18:00:00","" "7051162","10.678","0.002","9.294","0.002","23.112","0.005","90","","99.24","0.03","90","","2263.9","0.8","120","2","120","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C24 H20 N O3 P2 Pd0.5 S -","- C24 H20 N O3 P2 Pd0.5 S -","- C96 H80 N4 O12 P8 Pd2 S4 -","4","1","","Marek Necas; Mark R. St J. Foreman; Jaromír Marek; J. Derek Woollins; Josef Novosad","New mixed-donor unsymmetrical P‒N‒P ligands and their palladium(II) complexes","New J. Chem.","2001","25","10","1256","1263","10.1039/b103501k","","","0.71073","MoKα","","0.0315","0.0249","","","0.0638","0.065","","","","","","1.065","","","","has coordinates","176453","2020-10-21","18:00:00","" "7051163","11.605","0.002","12.181","0.002","15.93","0.003","110.77","0.03","91.19","0.03","106.59","0.03","1999.1","0.9","130","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C36 H48 N2 O6 P4 Pd S2 -","- C36 H48 N2 O6 P4 Pd S2 -","- C72 H96 N4 O12 P8 Pd2 S4 -","2","1","","Marek Necas; Mark R. St J. Foreman; Jaromír Marek; J. Derek Woollins; Josef Novosad","New mixed-donor unsymmetrical P‒N‒P ligands and their palladium(II) complexes","New J. Chem.","2001","25","10","1256","1263","10.1039/b103501k","","","0.71073","MoKα","","0.1212","0.0422","","","0.103","0.122","","","","","","0.982","","","","has coordinates","180065","2020-10-21","18:00:00","" "7051164","10.698","0.002","10.89","0.002","11.22","0.002","108.78","0.03","105.07","0.03","95.4","0.03","1172.2","0.5","130","2","130","2","","","","","","","","7","P -1","-P 1","2","","","","- C24 H20 N O2 P2 Pd0.5 S2 -","- C24 H20 N O2 P2 Pd0.5 S2 -","- C48 H40 N2 O4 P4 Pd S4 -","2","1","","Marek Necas; Mark R. St J. Foreman; Jaromír Marek; J. Derek Woollins; Josef Novosad","New mixed-donor unsymmetrical P‒N‒P ligands and their palladium(II) complexes","New J. Chem.","2001","25","10","1256","1263","10.1039/b103501k","","","0.71073","MoKα","","0.0641","0.0448","","","0.1172","0.1255","","","","","","1.012","","","","has coordinates","176453","2020-10-21","18:00:00","" "7051165","10.829","0.002","22.4","0.004","10.007","0.002","90","","98.22","0.03","90","","2402.5","0.8","130","2","293","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C24 H21 N O5 P2 S -","- C24 H21 N O5 P2 S -","- C96 H84 N4 O20 P8 S4 -","4","1","","Marek Necas; Mark R. St J. Foreman; Jaromír Marek; J. Derek Woollins; Josef Novosad","New mixed-donor unsymmetrical P‒N‒P ligands and their palladium(II) complexes","New J. Chem.","2001","25","10","1256","1263","10.1039/b103501k","","","0.71073","MoKα","","0.0441","0.0332","","","0.0853","0.089","","","","","","1.04","","","","has coordinates","202017","2020-10-21","18:00:00","" "7051166","8.776","0.011","10.233","0.016","18.853","0.024","90","","90","","90","","1693","4","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","13-isopropyl-7-oxo-podocarpe-5,8,11,13-tetraen-4,6-carbolactone 12","","- C20 H22 O3 -","- C20 H22 O3 -","- C80 H88 O12 -","4","1","","Silvia M. C. S. Monteiro; Armando J. D. Silvestre; Artur M. S. Silva; José A. S. Cavaleiro; Vitor Félix; Michael G. B. Drew","Synthesis and structural characterisation of ring B oxidised derivatives of dehydroabietic acid","New J. Chem.","2001","25","8","1091","1097","10.1039/b103737b","","","0.71073","MoKα","","0.1163","0.0828","","","0.2126","0.2296","","","","","","1.155","","","","has coordinates","202017","2020-10-21","18:00:00","" "7051167","7.3831","0.0007","8.2193","0.0008","9.7902","0.0009","90","","100.292","0.002","90","","584.55","0.1","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C12 H16 N2 -","- C12 H16 N2 -","- C24 H32 N4 -","2","0.5","","Yu-Lin Lam; Ming Wah Wong; Hsing Hua Huang; Eping Liang","Conformational Analysis of Meso- and (±)- 2,3-Dicyano-2,3-Dicyclopropylbutane and 1,2-Dicyanotetracyclopropylethane","New Journal of Chemistry","2001","","","","","10.1039/b103740b","","","","","","","0.0599","","","0.1817","","","","","","","","","","","has coordinates","180065","2020-10-21","18:00:00","" "7051168","7.0406","0.0003","14.7756","0.0004","6.9714","0.0003","90","","104.185","0.001","90","","703.12","0.05","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C16 H20 N2 -","- C16 H20 N2 -","- C32 H40 N4 -","2","0.5","","Yu-Lin Lam; Ming Wah Wong; Hsing Hua Huang; Eping Liang","Conformational Analysis of Meso- and (±)- 2,3-Dicyano-2,3-Dicyclopropylbutane and 1,2-Dicyanotetracyclopropylethane","New Journal of Chemistry","2001","","","","","10.1039/b103740b","","","","","","","","","","","","","","","","","","","","","has coordinates","180065","2020-10-21","18:00:00","" "7051169","11.197","0.005","12.256","0.005","16.462","0.005","83.37","0.005","80.06","0.005","67.75","0.005","2056.4","1.4","150","1","150","1","","","","","","","","5","P -1","-P 1","2","","","","- C51 H53 Fe P Si2 -","- C45 H41 Fe P Si2 -","- C90 H82 Fe2 P2 Si4 -","2","1","","Welfele Sebastien; Mezailles Nicolas; Maigrot Nicole; Ricard Louis; Mathey Francois; Le Floch Pascla","Synthesis, reactivity and X-Ray crystal structure of a free 1-phospha- barrelene: application to the synthesis of 1,1'-Bis(dimethylsilyl- phosphinine)ferrocene.","New Journal of Chemistry","2001","","","","","10.1039/b103779j","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00","" "7051170","8.774","0.0005","9.479","0.0005","10.851","0.0007","80.211","0.002","82.197","0.002","67.03","0.003","816.41","0.08","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C15 H29 N4 -","- C15 H29 N4 -","- C30 H58 N8 -","2","1","","Chuburu, F.; Handel, H.; Le Baccon, M.","Bis-aminals: efficient tools for bis-macrocycles synthesis","New Journal of Chemistry","2001","","","","","10.1039/b103995b","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00","" "7051171","8.162","0.001","14.249","0.001","13.862","0.001","90","","94.77","0.02","90","","1606.6","0.3","295","1","295","1","","","","","","","ethanolic synthesis","5","C 1 2/c 1","-C 2yc","15","","bis(pyridinium) tetrabromocuprate(II)","","- C10 H12 Br4 Cu N2 -","- C10 H12 Br4 Cu N2 -","- C40 H48 Br16 Cu4 N8 -","4","0.5","","Luque, Antonio; Sertucha, Jon; Castillo, Oscar; Román, Pascual","Crystal packing and physical properties of pyridinium tetrabromocuprate(II) complexes assembled via hydrogen bonds and aromatic stacking interactions","New Journal of Chemistry","2001","25","9","1208","","10.1039/b104085p","","","0.71069","MoKα","","0.071","0.043","","0.097","","0.05","","","1.43","","","1.19","","","","has coordinates","176453","2020-10-21","18:00:00","" "7051172","18.789","0.003","8.744","0.002","15.518","0.003","90","","135.15","0.03","90","","1798","1.1","295","1","295","1","","","","","","","ethanolic synthesis","5","C 1 2/c 1","-C 2yc","15","","bis(2-methylpyridinium) tetrabromocuprate(II)","","- C12 H16 Br4 Cu N2 -","- C12 H16 Br4 Cu N2 -","- C48 H64 Br16 Cu4 N8 -","4","0.5","","Luque, Antonio; Sertucha, Jon; Castillo, Oscar; Román, Pascual","Crystal packing and physical properties of pyridinium tetrabromocuprate(II) complexes assembled via hydrogen bonds and aromatic stacking interactions","New Journal of Chemistry","2001","25","9","1208","","10.1039/b104085p","","","0.71069","MoKα","","0.071","0.042","","0.101","","0.045","","","1.48","","","1.11","","","","has coordinates","176453","2020-10-21","18:00:00","" "7051173","9.165","0.001","13.592","0.002","14.404","0.003","90","","102.41","0.02","90","","1752.4","0.5","295","1","295","1","","","","","","","ethanolic synthesis","5","P 1 21/n 1","-P 2yn","14","","bis(3-methylpyridinium) tetrabromocuprate(II)","","- C12 H16 Br4 Cu N2 -","- C12 H16 Br4 Cu N2 -","- C48 H64 Br16 Cu4 N8 -","4","1","","Luque, Antonio; Sertucha, Jon; Castillo, Oscar; Román, Pascual","Crystal packing and physical properties of pyridinium tetrabromocuprate(II) complexes assembled via hydrogen bonds and aromatic stacking interactions","New Journal of Chemistry","2001","25","9","1208","","10.1039/b104085p","","","0.71069","MoKα","","0.081","0.04","","0.077","","0.04","","","1.43","","","1.16","","","","has coordinates","176453","2020-10-21","18:00:00","" "7051174","8.483","0.002","9.399","0.002","13.227","0.002","96.29","0.03","91.29","0.03","116.41","0.02","935.8","0.4","295","1","295","1","","","","","","","ethanolic synthesis","5","P -1","-P 1","2","","bis(4-methylpyridinium) tetrabromocuprate(II)","","- C12 H16 Br4 Cu N2 -","- C12 H16 Br4 Cu N2 -","- C24 H32 Br8 Cu2 N4 -","2","1","","Luque, Antonio; Sertucha, Jon; Castillo, Oscar; Román, Pascual","Crystal packing and physical properties of pyridinium tetrabromocuprate(II) complexes assembled via hydrogen bonds and aromatic stacking interactions","New Journal of Chemistry","2001","25","9","1208","","10.1039/b104085p","","","0.71069","MoKα","","0.087","0.045","","0.101","","0.045","","","1.54","","","1.2","","","","has coordinates","176453","2020-10-21","18:00:00","" "7051175","13.0469","0.0014","14.126","0.0016","14.2105","0.0016","90","","91.11","0.002","90","","2618.5","0.5","293","2","293","2","","","","","","","","6","P 1 n 1","P -2yac","7","","","","- C12 H42 Co10 N8 O43 P10 -","- C12 H48 Co10 N8 O43 P10 -","- C24 H96 Co20 N16 O86 P20 -","2","1","","Yanxiong Ke; Gaofei He; Jianmin Li; Yugen Zhang; Sheming Lu","A new mixed divalent metal phosphate with zeolite thomsonite framework topology","New J. Chem.","2001","25","12","1627","1630","10.1039/b104331p","","","0.71073","MoKα","","0.0496","0.043","","","0.1017","0.1038","","","","","","1","","","","has coordinates","180065","2020-10-21","18:00:00","" "7051176","9.2002","0.0011","13.4712","0.0016","13.7964","0.0016","90","","97.574","0.003","90","","1695","0.3","566","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C38 H29 Cr N3 O8 P -","- C38 H29 Cr N3 O8 P -","- C76 H58 Cr2 N6 O16 P2 -","2","1","","R. Lescouezec; G. Marinescu; M. C. Munoz; D. Luneau; M. Andruh; F. Lloret; J. Faus; M. Julve; J. A. Mata; R. Llusar; J. Cano","","New Journal of Chemistry","2001","","","","","10.1039/b104469a","","","","","","","","","","","","","","","","","","","","","has coordinates","180065","2020-10-21","18:00:00","" "7051177","9.2221","0.0005","13.471","0.003","13.8725","0.0017","90","","97.418","0.007","90","","1709","0.4","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C38 H29 As Cr N3 O8 -","- C38 H29 As Cr N3 O8 -","- C76 H58 As2 Cr2 N6 O16 -","2","1","","R. Lescouezec; G. Marinescu; M. C. Munoz; D. Luneau; M. Andruh; F. Lloret; J. Faus; M. Julve; J. A. Mata; R. Llusar; J. Cano","","New Journal of Chemistry","2001","","","","","10.1039/b104469a","","","","","","","","","","","","","","","","","","","","","has coordinates","180065","2020-10-21","18:00:00","" "7051178","9.2942","0.0016","11.38","0.003","14.292","0.003","93.78","0.02","95.838","0.014","111.39","0.02","1391.6","0.5","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H27 Cr N6 O12 -","- C24 H18 Cr N6 O12 -","- C48 H36 Cr2 N12 O24 -","2","1","","R. Lescouezec; G. Marinescu; M. C. Munoz; D. Luneau; M. Andruh; F. Lloret; J. Faus; M. Julve; J. A. Mata; R. Llusar; J. Cano","","New Journal of Chemistry","2001","","","","","10.1039/b104469a","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00","" "7051179","21.999","0.008","16.248","0.004","17.111","0.004","90","","110.18","0.03","90","","5741","3","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C27 H30 Cr N6 O11 -","- C27 H30 Cr N6 O11 -","- C216 H240 Cr8 N48 O88 -","8","1","","R. Lescouezec; G. Marinescu; M. C. Munoz; D. Luneau; M. Andruh; F. Lloret; J. Faus; M. Julve; J. A. Mata; R. Llusar; J. Cano","","New Journal of Chemistry","2001","","","","","10.1039/b104469a","","","","","","","","","","","","","","","","","","","","","has coordinates","180065","2020-10-21","18:00:00","" "7051180","9.4572","0.0019","12.095","0.002","17.85","0.004","99.95","0.03","99.57","0.03","104.87","0.03","1895.5","0.7","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C28 H34 Cr2 N6 O24 Sr -","- C28 Cr2 N6 O24 Sr -","- C56 Cr4 N12 O48 Sr2 -","2","1","","R. Lescouezec; G. Marinescu; M. C. Munoz; D. Luneau; M. Andruh; F. Lloret; J. Faus; M. Julve; J. A. Mata; R. Llusar; J. Cano","","New Journal of Chemistry","2001","","","","","10.1039/b104469a","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00","" "7051181","9.497","0.006","9.41","0.002","18.232","0.008","90","","100.01","0.03","90","","1604.5","1.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H21 Cu N5 O4 -","- C13 H21 Cu N5 O4 -","- C52 H84 Cu4 N20 O16 -","4","1","","Sarathi Mukherjee, Partha; Dalai, Sudipta; Mostafa, Golam; Lu, Tian-Huey; Rentschler, Eva; Ray Chaudhuri, Nirmalendu","Synthesis, crystal structure, and magnetic properties of two new Cu(II) complexes with end-to-end azido bridging ligands","New Journal of Chemistry","2001","25","9","1203","","10.1039/b104596m","","","0.71069","MoKα","","0.1381","0.0422","","","0.1128","0.1857","","","","","","1.009","","","","has coordinates","213973","2020-10-21","18:00:00","" "7051182","9.0852","0.001","16.2398","0.0018","10.8913","0.0012","90","","96.881","0.002","90","","1595.3","0.3","294","2","294","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C11 H17 Cl Cu N6 O4 -","- C11 H17 Cl Cu N6 O4 -","- C44 H68 Cl4 Cu4 N24 O16 -","4","1","","Sarathi Mukherjee, Partha; Dalai, Sudipta; Mostafa, Golam; Lu, Tian-Huey; Rentschler, Eva; Ray Chaudhuri, Nirmalendu","Synthesis, crystal structure, and magnetic properties of two new Cu(II) complexes with end-to-end azido bridging ligands","New Journal of Chemistry","2001","25","9","1203","","10.1039/b104596m","","","0.71073","MoKα","","0.0666","0.0434","","","0.1089","0.1161","","","","","","1.068","","","","has coordinates","213973","2020-10-21","18:00:00","" "7051183","6.9395","0.0014","7.6083","0.0015","12.502","0.003","104.45","0.03","93.03","0.03","95.46","0.03","634.3","0.3","293","2","293","2","","","","","","","","4","P -1","-P 1","2","(CN)EDT-TTF","4-cyano-4',5'-ethylendithio-tetrathiafulvalene","","- C9 H5 N S6 -","- C9 H5 N S6 -","- C18 H10 N2 S12 -","2","1","","Thomas Devic; Josep N. Bertran; Benoît Domercq; Enric Canadell; Narcis Avarvari; Pascale Auban-Senzier; Marc Fourmigué","Cation radical salts of cyano(ethylenedithio)tetrathiafulvalene with halogenated anions: annihilation of the CN···Hal interaction and stabilisation of conducting, antiferromagnetic square or chain-type salts","New J. Chem.","2001","25","11","1418","1424","10.1039/b104640n","","","0.71073","MoKα","","0.0828","0.0559","","","0.1283","0.134","","","","","","1.274","","","","has coordinates","213973","2020-10-21","18:00:00","" "7051184","7.9359","0.0016","9.4229","0.0019","11.957","0.002","99.04","0.03","94.56","0.03","103.7","0.03","851.5","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","(EDT-TTF-CN), (I3)","Bis (3-cyano -3',4'-ethylenedithiotetrathiafulvalene, triiodide)","","- C9 H5 I3 N S6 -","- C9 H5 I3 N S6 -","- C18 H10 I6 N2 S12 -","2","1","","Thomas Devic; Josep N. Bertran; Benoît Domercq; Enric Canadell; Narcis Avarvari; Pascale Auban-Senzier; Marc Fourmigué","Cation radical salts of cyano(ethylenedithio)tetrathiafulvalene with halogenated anions: annihilation of the CN···Hal interaction and stabilisation of conducting, antiferromagnetic square or chain-type salts","New J. Chem.","2001","25","11","1418","1424","10.1039/b104640n","","","0.71073","MoKα","","0.0538","0.0254","","","0.045","0.0505","","","","","","0.718","","","","has coordinates","213973","2020-10-21","18:00:00","" "7051185","8.0545","0.0016","8.0611","0.0016","23.587","0.005","86.78","0.03","86.82","0.03","76.11","0.03","1482.9","0.6","293","2","293","2","","","","","","","","5","P -1","-P 1","2","(EDT-TTF-CN)2, (I3)","Bis(3-cyano -3',4'-ethylenedithiotetrathiafulvalene), triiodide","","- C18 H10 I3 N2 S12 -","- C18 I3 N2 S12 -","- C36 I6 N4 S24 -","2","1","","Thomas Devic; Josep N. Bertran; Benoît Domercq; Enric Canadell; Narcis Avarvari; Pascale Auban-Senzier; Marc Fourmigué","Cation radical salts of cyano(ethylenedithio)tetrathiafulvalene with halogenated anions: annihilation of the CN···Hal interaction and stabilisation of conducting, antiferromagnetic square or chain-type salts","New J. Chem.","2001","25","11","1418","1424","10.1039/b104640n","","","0.71073","MoKα","","0.0814","0.0359","","","0.1058","0.1326","","","","","","0.697","","","","has coordinates","213973","2020-10-21","18:00:00","" "7051186","6.399","0.0013","28.687","0.006","11.222","0.002","90","","106.13","0.03","90","","1978.9","0.7","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","(EDT-TTF-CN), InBr4","3-cyano -3',4'-ethylenedithiotetrathiafulvalene, tetrabromoindate (III)","","- C9 H5 Br4 In N S6 -","- C9 H5 Br4 In N S6 -","- C36 H20 Br16 In4 N4 S24 -","4","1","","Thomas Devic; Josep N. Bertran; Benoît Domercq; Enric Canadell; Narcis Avarvari; Pascale Auban-Senzier; Marc Fourmigué","Cation radical salts of cyano(ethylenedithio)tetrathiafulvalene with halogenated anions: annihilation of the CN···Hal interaction and stabilisation of conducting, antiferromagnetic square or chain-type salts","New J. Chem.","2001","25","11","1418","1424","10.1039/b104640n","","","0.71073","MoKα","","0.0508","0.0276","","","0.0577","0.0611","","","","","","0.771","","","","has coordinates","213973","2020-10-21","18:00:00","" "7051187","6.293","0.0013","28.506","0.006","11.126","0.002","90","","106.52","0.03","90","","1913.5","0.7","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","EDT-TTF-CN, FeBr4","3-cyano -3',4'-ethylenedithiotetrathiafulvalene, tetrabromoferrate (III)","","- C9 H5 Br4 Fe N S6 -","- C9 H5 Br4 Fe N S6 -","- C36 H20 Br16 Fe4 N4 S24 -","4","1","","Thomas Devic; Josep N. Bertran; Benoît Domercq; Enric Canadell; Narcis Avarvari; Pascale Auban-Senzier; Marc Fourmigué","Cation radical salts of cyano(ethylenedithio)tetrathiafulvalene with halogenated anions: annihilation of the CN···Hal interaction and stabilisation of conducting, antiferromagnetic square or chain-type salts","New J. Chem.","2001","25","11","1418","1424","10.1039/b104640n","","","0.71073","MoKα","","0.1397","0.0486","","","0.0938","0.1043","","","","","","1.637","","","","has coordinates","213973","2020-10-21","18:00:00","" "7051188","7.7596","0.0016","8.325","0.0017","16.245","0.003","93.98","0.03","93.63","0.03","114.98","0.03","944","0.4","293","2","293","2","","","","","","","","6","P -1","-P 1","2","EDT-TTF-CN, AuBr4","3-cyano -3',4'-ethylenedithiotetrathiafulvalene, tetrabromoaurate (III)","","- C9 H5 Au Br4 N S6 -","- C9 H Au Br4 N S6 -","- C18 H2 Au2 Br8 N2 S12 -","2","1","","Thomas Devic; Josep N. Bertran; Benoît Domercq; Enric Canadell; Narcis Avarvari; Pascale Auban-Senzier; Marc Fourmigué","Cation radical salts of cyano(ethylenedithio)tetrathiafulvalene with halogenated anions: annihilation of the CN···Hal interaction and stabilisation of conducting, antiferromagnetic square or chain-type salts","New J. Chem.","2001","25","11","1418","1424","10.1039/b104640n","","","0.71073","MoKα","","0.0648","0.0445","","","0.1089","0.1139","","","","","","0.931","","","","has coordinates","213973","2020-10-21","18:00:00","" "7051189","10.191","0.002","11.443","0.002","13.372","0.003","102.05","0.03","103.82","0.03","93.63","0.03","1470.3","0.6","293","2","293","2","","","","","","","","6","P -1","-P 1","2","(EDT-TTF-CN)2, Mo6Br14, (CH3CN)4","Bis (3-cyano -3',4'-ethylenedithiotetrathiafulvalene), hexabromo-octa-mu3-bromohexamolybdate (II), acetonitrile solvate","","- C26 H22 Br14 Mo6 N6 S12 -","- C26 H14 Br14 Mo6 N6 S12 -","- C26 H14 Br14 Mo6 N6 S12 -","1","0.5","","Thomas Devic; Josep N. Bertran; Benoît Domercq; Enric Canadell; Narcis Avarvari; Pascale Auban-Senzier; Marc Fourmigué","Cation radical salts of cyano(ethylenedithio)tetrathiafulvalene with halogenated anions: annihilation of the CN···Hal interaction and stabilisation of conducting, antiferromagnetic square or chain-type salts","New J. Chem.","2001","25","11","1418","1424","10.1039/b104640n","","","0.71073","MoKα","","0.0655","0.0273","","","0.0453","0.0511","","","","","","0.709","","","","has coordinates","213973","2020-10-21","18:00:00","" "7051190","9.9799","0.001","11.3713","0.001","13.3427","0.001","101.938","0.01","104.094","0.01","93.366","0.01","1427.3","0.2","293","2","293","2","","","","","","","","7","P -1","-P 1","2","(EDT-TTF-CN)2, Mo6Cl8Br6, (CH3CN)4","Bis (3-cyano -3',4'-ethylenedithiotetrathiafulvalene), hexabromo-octa-mu3-chlorohexamolybdate (II), acetonitrile solvate","","- C13 H11 Br3 Cl4 Mo3 N3 S6 -","- C13 H7 Br3 Cl4 Mo3 N3 S6 -","- C26 H14 Br6 Cl8 Mo6 N6 S12 -","2","1","","Thomas Devic; Josep N. Bertran; Benoît Domercq; Enric Canadell; Narcis Avarvari; Pascale Auban-Senzier; Marc Fourmigué","Cation radical salts of cyano(ethylenedithio)tetrathiafulvalene with halogenated anions: annihilation of the CN···Hal interaction and stabilisation of conducting, antiferromagnetic square or chain-type salts","New J. Chem.","2001","25","11","1418","1424","10.1039/b104640n","","","0.71073","MoKα","","0.1705","0.0622","","","0.1788","0.2044","","","","","","1.163","","","","has coordinates","213973","2020-10-21","18:00:00","" "7051191","12.602","0.002","10.201","0.003","23.118","0.006","90","","94.37","0.02","90","","2963.3","1.1","296.2","","296.2","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C18 H16 N2 O -","- C18 H16 N2 O -","- C144 H128 N16 O8 -","8","2","","Bagieu Beucher, M.; George, S.; Masse, R.; Muthuraman, M.; Nangia, A.; Nicoud, Jean-Francois","Crystal Engineering of Neutral N-Aryl Pyrimidinones and their HCl, HNO3 Adducts With C-H...O Supramolecular Synthon. Implications Towards Non-Linear Optics","New Journal of Chemistry","2001","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","202017","2020-10-21","18:00:00","" "7051192","22.273","0.0011","23.3463","0.0012","7.1583","0.0002","90","","93.96","0.003","90","","3713.4","0.3","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C56 H64 Cu2 N24 O4 -","- C56 H64 Cu2 N24 O4.008 -","- C112 H128 Cu4 N48 O8.016 -","2","0.25","","Iwayan Dasna; Stéphane Golhen; Lahcène Ouahab; Nathalie Daro; Jean-Pascal Sutter","Synthesis, X-ray crystal structures and magnetic properties of CuII and MnII complexes containing imino nitroxide radicals and a dicyanamide anion","New J. Chem.","2001","25","12","1572","1576","10.1039/b104773f","","","0.71073","MoKα","","0.0805","0.0594","","","0.1931","0.2081","","","","","","1.056","","","","has coordinates","180065","2020-10-21","18:00:00","" "7051193","7.1089","0.0002","9.9495","0.0003","13.2518","0.0006","69.3961","0.0014","88.9996","0.0014","71.461","0.002","827.1","0.05","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H36 Mn N12 O4 -","- C28 H32 Mn N12 O4.07 -","- C28 H32 Mn N12 O4.07 -","1","0.5","","Iwayan Dasna; Stéphane Golhen; Lahcène Ouahab; Nathalie Daro; Jean-Pascal Sutter","Synthesis, X-ray crystal structures and magnetic properties of CuII and MnII complexes containing imino nitroxide radicals and a dicyanamide anion","New J. Chem.","2001","25","12","1572","1576","10.1039/b104773f","","","0.71073","MoKα","","0.0672","0.0462","","","0.1201","0.1378","","","","","","1.029","","","","has coordinates","180065","2020-10-21","18:00:00","" "7051194","10.724","0.001","11.0215","0.0006","12.758","0.001","73.832","0.005","73.892","0.004","71.608","0.004","1344.24","0.18","296","1","296","1","","","","","","","","9","P -1","-P 1","2","","","","- C50 H40 Cl6 Fe2 N2 Ni O4 P2 S2 -","- C50 H40 Cl6 Fe2 N2 Ni O4 P2 S2 -","- C50 H40 Cl6 Fe2 N2 Ni O4 P2 S2 -","1","0.5","","Pinkas, Jiří; Bastl, Zdeněk; Šlouf, Miroslav; Podlaha, Jaroslav; Štěpnička, Petr","Preparation and solid-state characterization of nickel(II) complexes with 1'-(diphenylphosphino)ferrocenecarboxylic acid","New Journal of Chemistry","2001","25","9","1215","","10.1039/b104780a","","","0.71073","MoKα","","0.1196","0.0679","","","0.1645","0.192","","","","","","1.05","","","","has coordinates","211332","2020-10-21","18:00:00","" "7051195","13.272","0.003","15.701","0.003","16.934","0.003","107","0.03","110.32","0.03","98.76","0.03","3035.2","1.6","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C63 H86 Cl F6 O4 P3 Ru -","- C63 H86 Cl F6 O4 P3 Ru -","- C126 H172 Cl2 F12 O8 P6 Ru2 -","2","1","","Jung, Stefan; Brandt, Carsten D.; Werner, Helmut","A cationic allenylideneruthenium(II) complex with two bulky hemilabile phosphine ligands","New Journal of Chemistry","2001","25","9","1101","","10.1039/b104787f","","","0.71073","MoKα","","0.091","0.0484","","","0.1093","0.1248","","","","","","0.87","","","","has coordinates,has disorder","213973","2020-10-21","18:00:00","" "7051196","8.669","0.0002","15.7588","0.0003","11.4462","0.0002","90","","102.089","0.0011","90","","1529.02","0.05","200","","","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C17 H25 N O -","- C17 H25 N O -","- C68 H100 N4 O4 -","4","1","","Banwell, M.; Bray, Andrew W.; Edwards, Alison J.; Wong, David J.","Total synthesis of the putative structure of the marine alkaloid haliclorensin","New Journal of Chemistry","2001","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","176453","2020-10-21","18:00:00","" "7051197","13.1254","0.0002","48.0683","0.0007","12.8677","0.0002","90","","90","","90","","8118.4","0.2","110","2","110","2","","","","","","","","6","P 21 21 2","P 2 2ab","18","","","","- C82 H74 Cl5 Cu3 N9 O21 -","- C82 H74 Cl5 Cu3 N9 O21 -","- C328 H296 Cl20 Cu12 N36 O84 -","4","1","","Patra, Goutam K.; Goldberg, Israel; Chowdhury, Sanjoy K.; Maiti, Bikas C.; Sarkar, Amitabha; Bangal, Prakriti R.; Chakravorti, Sankar; Chattopadhyay, Nitin; Tocher, Derek A.; Drew, Michael G. B.; Mostafa, Golam; Chowdhury, Shubhamoy; Datta, Dipankar","A new photoluminescent CuI2N6 chromophore","New Journal of Chemistry","2001","25","11","1371","","10.1039/b105442m","","","0.7107","MoKα","","0.0878","0.0514","","","0.1123","0.1283","","","","","","1.022","","","","has coordinates","213973","2020-10-21","18:00:00","" "7051198","16.6277","0.0016","8.2069","0.0007","15.1464","0.0016","90","","116.113","0.011","90","","1855.9","0.4","180","2","180","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C23 H22 N2 O2 -","- C23 H22 N2 O2 -","- C92 H88 N8 O8 -","4","1","","Uznanski, Pawel; Amiens, Catherine; Donnadieu, Bruno; Coppel, Yannick; Chaudret, Bruno","Oxidation of photochromic spirooxazines by coinage metal cations. Part I. Reaction with AgNO3: formation and characterisation of silver particles","New Journal of Chemistry","2001","25","12","1486","1494","10.1039/b105446p","","","0.71073","MoKα","","0.059","0.0403","","","0.0932","0.1023","","","","","","1.01","","","","has coordinates","275230","2022-05-08","23:08:07","" "7051199","27.659","0.003","8.4635","0.0011","16.5591","0.0017","90","","100.371","0.012","90","","3813","0.8","298","2","298","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C23 H22 N2 O2 -","- C23 H22 N2 O2 -","- C184 H176 N16 O16 -","8","1","","Uznanski, Pawel; Amiens, Catherine; Donnadieu, Bruno; Coppel, Yannick; Chaudret, Bruno","Oxidation of photochromic spirooxazines by coinage metal cations. Part I. Reaction with AgNO3: formation and characterisation of silver particles","New Journal of Chemistry","2001","25","12","1486","1494","10.1039/b105446p","","","0.71073","MoKα","","0.1192","0.0471","","","0.1156","0.1527","","","","","","0.94","","","","has coordinates","275230","2022-05-08","23:08:07","" "7051200","13.45","0.003","20.456","0.004","7.667","0.002","90","","96.61","0.03","90","","2095.4","0.8","180","2","180","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C27 H24 N2 O2 -","- C27 H24 N2 O2 -","- C108 H96 N8 O8 -","4","1","","Uznanski, Pawel; Amiens, Catherine; Donnadieu, Bruno; Coppel, Yannick; Chaudret, Bruno","Oxidation of photochromic spirooxazines by coinage metal cations. Part I. Reaction with AgNO3: formation and characterisation of silver particles","New Journal of Chemistry","2001","25","12","1486","1494","10.1039/b105446p","","","0.71073","MoKα","","0.1302","0.0603","","","0.1441","0.1799","","","","","","0.902","","","","has coordinates","275230","2022-05-08","23:08:07","" "7051201","10.3622","0.0009","15.331","0.0015","13.5407","0.0012","90","","103.856","0.01","90","","2088.5","0.3","180","2","180","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H23 N3 O4 -","- C24 H23 N3 O4 -","- C96 H92 N12 O16 -","4","1","","Uznanski, Pawel; Amiens, Catherine; Donnadieu, Bruno; Coppel, Yannick; Chaudret, Bruno","Oxidation of photochromic spirooxazines by coinage metal cations. Part I. Reaction with AgNO3: formation and characterisation of silver particles","New Journal of Chemistry","2001","25","12","1486","1494","10.1039/b105446p","","","0.71073","MoKα","","0.0523","0.0399","","","0.1011","0.1088","","","","","","1.018","","","","has coordinates","275230","2022-05-08","23:08:07","" "7051202","12.5891","0.0016","13.6746","0.0015","14.2577","0.0018","114.178","0.013","97.965","0.015","98.965","0.014","2155.3","0.6","180","2","180","2","","","","","","","","6","P -1","-P 1","2","","","","- C22 H18 Au Cl3 N O -","- C22 H18 Au Cl3 N2 O -","- C88 H72 Au4 Cl12 N8 O4 -","4","2","","Pawel Uznanski; Catherine Amiens; Manuel Bardaji; Bruno Donnadieu; Yannick Coppel; Bruno Chaudret; Antonio Laguna","Oxidation of photochromic spirooxazines by coinage metal cations. Part II. Oxidation by gold(III) compounds and synthesis of gold colloids","New J. Chem.","2001","25","12","1495","1499","10.1039/b105447n","","","0.71073","MoKα","","0.0777","0.0364","","","0.0648","0.0737","","","","","","0.873","","","","has coordinates","176453","2020-10-21","18:00:00","" "7051203","6.81","0.001","18.326","0.001","7.39","0.001","90","","100.35","0.01","90","","907.27","0.19","120","2","120","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","perfluoronaphthalene anthracene complex (1:1)","","- C24 H10 F8 -","- C24 H10 F8 -","- C48 H20 F16 -","2","0.5","","Collings, Jonathan C.; Roscoe, Karl P.; Thomas, Rhodri Ll.; Batsanov, Andrei S.; Stimson, Lorna M.; Howard, Judith A. K.; Marder, Todd B.","Arene-perfluoroarene interactions in crystal engineering. Part 3. Single-crystal structures of 1 : 1 complexes of octafluoronaphthalene with fused-ring polyaromatic hydrocarbons","New Journal of Chemistry","2001","25","11","1410","1417","10.1039/b105502j","","","0.71073","MoKα","","0.0953","0.0401","","","0.0741","0.086","","","","","","0.932","","","","has coordinates","219075","2020-10-21","18:00:00","" "7051204","6.776","0.002","18.18","0.006","7.666","0.003","90","","102.45","0.01","90","","922.1","0.5","120","2","120","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","perfluoronaphthalene phenanthrene complex (1:1)","","- C24 H10 F8 -","- C24 H10 F8 -","- C48 H20 F16 -","2","0.5","","Collings, Jonathan C.; Roscoe, Karl P.; Thomas, Rhodri Ll.; Batsanov, Andrei S.; Stimson, Lorna M.; Howard, Judith A. K.; Marder, Todd B.","Arene-perfluoroarene interactions in crystal engineering. Part 3. Single-crystal structures of 1 : 1 complexes of octafluoronaphthalene with fused-ring polyaromatic hydrocarbons","New Journal of Chemistry","2001","25","11","1410","1417","10.1039/b105502j","","","0.71073","MoKα","","0.1003","0.0492","","","0.1095","0.1302","","","","","","1.011","","","","has coordinates","219075","2020-10-21","18:00:00","" "7051205","6.725","0.001","8.864","0.001","9.488","0.001","107.51","0.01","105.23","0.01","106.82","0.01","476.9","0.12","120","2","120","2","","","","","","","","3","P -1","-P 1","2","","perfluoronaphthalene pyrene complex (1:1)","","- C26 H10 F8 -","- C26 H10 F8 -","- C26 H10 F8 -","1","0.5","","Collings, Jonathan C.; Roscoe, Karl P.; Thomas, Rhodri Ll.; Batsanov, Andrei S.; Stimson, Lorna M.; Howard, Judith A. K.; Marder, Todd B.","Arene-perfluoroarene interactions in crystal engineering. Part 3. Single-crystal structures of 1 : 1 complexes of octafluoronaphthalene with fused-ring polyaromatic hydrocarbons","New Journal of Chemistry","2001","25","11","1410","1417","10.1039/b105502j","","","0.71073","MoKα","","0.0771","0.0442","","","0.1017","0.1153","","","","","","1.014","","","","has coordinates","219075","2020-10-21","18:00:00","" "7051206","7.132","0.004","10.122","0.002","14.614","0.005","90","","102.22","0.02","90","","1031.1","0.7","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C5 H14 N8 Ni -","- C5 H14 N8 Ni -","- C20 H56 N32 Ni4 -","4","1","","Montserrat Monfort; Inmaculada Resino; Joan Ribas; Xavier Solans; Mercé Font-Bardia","Synthesis of N3−/SCN− bridged polynuclear complexes of nickel(II) using N,N,N'-trimethylethane-1,2-diamine as a blocking ligand: low temperature magnetic study and single crystal structure of [Ni(μ1,1-N3)(μ1,3-N3)(N,N,N'-Me3en)]n","New J. Chem.","2001","25","12","1577","1582","10.1039/b105770g","","","0.71069","MoKα","","0.1373","0.0504","","0.1395","0.1008","","","","1.005","1.07","1.07","","","","","has coordinates","180066","2020-10-21","18:00:00","" "7051207","12.698","0.002","10.1097","0.0014","15.698","0.005","90","","90","","90","","2015.2","0.8","293","2","293","2","","","","","","","","7","P c a 21","P 2c -2ac","29","","","","- C10 H28 F6 N5 Ni O2 P -","- C10 H28 F6 N5 Ni O2 P -","- C40 H112 F24 N20 Ni4 O8 P4 -","4","1","","Montserrat Monfort; Inmaculada Resino; Joan Ribas; Xavier Solans; Mercé Font-Bardia","Synthesis of N3−/SCN− bridged polynuclear complexes of nickel(II) using N,N,N'-trimethylethane-1,2-diamine as a blocking ligand: low temperature magnetic study and single crystal structure of [Ni(μ1,1-N3)(μ1,3-N3)(N,N,N'-Me3en)]n","New J. Chem.","2001","25","12","1577","1582","10.1039/b105770g","","","0.71069","MoKα","","0.0434","0.0372","","0.1184","0.0945","","","","1.057","1.078","1.078","","","","","has coordinates","180066","2020-10-21","18:00:00","" "7051208","12.8728","0.0011","15.8948","0.0012","18.2031","0.0014","90","","90","","90","","3724.5","0.5","153","2","153","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C36 H54 Cu F6 N2 O3 P -","- C36 H54 Cu F6 N2 O3 P -","- C144 H216 Cu4 F24 N8 O12 P4 -","4","1","","Fraysse, Sandrine; von Zelewsky, Alex; Stoeckli-Evans, Helen","A stable chiral diolefin complex of CuI with predetermined configuration at the metal centre","New Journal of Chemistry","2001","25","11","1374","","10.1039/b105870n","","","0.71073","MoKα","","0.1819","0.0567","","","0.0816","0.1123","","","","","","0.65","","","","has coordinates","180066","2020-10-21","18:00:00","" "7051209","8.213","0.0004","9.912","0.0004","11.531","0.0005","98.303","0.002","94.06","0.003","96.414","0.002","919.44","0.07","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","2,3,7-Triphenylcyclopenta[c]pyran","","- C26 H18 O -","- C26 H18 O -","- C52 H36 O2 -","2","1","","Banciu, Mircea D.; Castellano, Eduardo E.; Ellena, Javier; Haiduc, Ionel; Draghici, Constantin; Balaban, Alexandru T.","Serendipitous, one-pot formation of 2,3,7-triphenylcyclopenta[c]pyran from 1,2-diphenylethanedione (“benzil”) and cyclopentadiene","New Journal of Chemistry","2001","25","11","1472","","10.1039/b105878a","","x-ray","0.7107","MoKα","","0.0671","0.0471","","","0.125","0.1548","","","","","","1.113","","","","has coordinates","202017","2020-10-21","18:00:00","" "7051210","20.72","0.02","19.67","0.03","12.796","0.015","90","","101.478","0.01","90","","5111","11","293","2","293","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C91 H118 Cl6 O16 S8 -","- C91 H104 Cl6 O16 S8 -","- C182 H208 Cl12 O32 S16 -","2","0.25","","Matthews, Susan E.; Felix, Vitor; Drew, Michael G. B.; Beer, Paul D.","Thiacalix[4]tube: synthesis, X-ray crystal structure and preliminary binding studies Electronic supplementary information (ESI) available: full experimental details, including synthesis and characterisation of 4 and 5, and the crystallographic study of 6. See http://www.rsc.org/suppdata/nj/b1/b106094p/","New Journal of Chemistry","2001","25","11","1355","","10.1039/b106094p","","","0.71073","MoKα","","0.2254","0.1054","","","0.2868","0.3628","","","","","","0.921","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00","" "7051211","10.145","0.004","10.82","0.004","16.051","0.009","90","","96.949","0.005","90","","1749","1.4","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C19 H25 N4 -","- C19 H25 N4 -","- C76 H100 N16 -","4","1","","Olivier Maury; Jean-Paul Guégan; Thierry Renouard; Adam Hilton; Philippe Dupau; Nicolas Sandon; Loïc Toupet; Hubert Le Bozec","Design and synthesis of 4,4'-π-conjugated[2,2']-bipyridines: a versatile class of tunable chromophores and fluorophores","New J. Chem.","2001","25","12","1553","1566","10.1039/b106096c","","","0.71069","MoKα","","0.1568","0.0521","","","0.1378","0.1732","","","","","","0.946","","","","has coordinates","180066","2020-10-21","18:00:00","" "7051212","11.915","0.003","12.05","0.004","13.544","0.002","105.67","0.02","99.141","0.01","93.4","0.02","1837.8","0.8","293","2","293","2","","","","","","","","3","P 1","P 1","1","","","","- C84 H108 N8 -","- C83 H106 N8 -","- C83 H106 N8 -","1","1","","Olivier Maury; Jean-Paul Guégan; Thierry Renouard; Adam Hilton; Philippe Dupau; Nicolas Sandon; Loïc Toupet; Hubert Le Bozec","Design and synthesis of 4,4'-π-conjugated[2,2']-bipyridines: a versatile class of tunable chromophores and fluorophores","New J. Chem.","2001","25","12","1553","1566","10.1039/b106096c","","","0.71069","MoKα","","0.2044","0.0776","","","0.2287","0.3179","","","","","","0.928","","","","has coordinates","180066","2020-10-21","18:00:00","" "7051213","7.309","0.003","7.698","0.005","25.101","0.007","90","","92.13","0.02","90","","1411.3","1.2","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C16 H18 N3 -","- C16 H18 N3 -","- C64 H72 N12 -","4","1","","Olivier Maury; Jean-Paul Guégan; Thierry Renouard; Adam Hilton; Philippe Dupau; Nicolas Sandon; Loïc Toupet; Hubert Le Bozec","Design and synthesis of 4,4'-π-conjugated[2,2']-bipyridines: a versatile class of tunable chromophores and fluorophores","New J. Chem.","2001","25","12","1553","1566","10.1039/b106096c","","","0.71069","MoKα","","0.2724","0.0633","","","0.1429","0.2056","","","","","","0.896","","","","has coordinates","180066","2020-10-21","18:00:00","" "7051214","7.2313","0.0012","8.9917","0.0015","9.4175","0.0016","84.667","0.003","81.705","0.003","73.315","0.003","579.57","0.17","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C12 H8 Br Cu N2 -","- C12 H8 Br Cu N2 -","- C24 H16 Br2 Cu2 N4 -","2","1","","Bosch, Eric; Barnes, Charles L.","Crystal structure of kinetic and thermodynamic coordination networks formed between 3,3′-dipyridylethyne and copper bromide","New Journal of Chemistry","2001","25","11","1376","","10.1039/b106221m","","","0.71073","MoKα","","0.0566","0.0462","","","0.1178","0.1246","","","","","","1.032","","","","has coordinates","213973","2020-10-21","18:00:00","" "7051215","8.582","0.0007","17.6497","0.0013","7.3216","0.0006","90","","91.72","0.002","90","","1108.5","0.15","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H8 Br Cu N2 -","- C12 H8 Br Cu N2 -","- C48 H32 Br4 Cu4 N8 -","4","1","","Bosch, Eric; Barnes, Charles L.","Crystal structure of kinetic and thermodynamic coordination networks formed between 3,3′-dipyridylethyne and copper bromide","New Journal of Chemistry","2001","25","11","1376","","10.1039/b106221m","","","0.71073","MoKα","","0.0527","0.0342","","","0.0785","0.085","","","","","","1.056","","","","has coordinates","213973","2020-10-21","18:00:00","" "7051216","8.157","0.004","19.586","0.011","7.404","0.002","90","","92.8","0.03","90","","1181.5","0.9","298","2","298","2","","","","","","","see Experimental","5","P 1 21/c 1","-P 2ybc","14","Silver Assembly","","","- C12 H8.5 Ag1.5 N2 O4 -","- C12 H8.5 Ag1.5 N2 O4 -","- C48 H34 Ag6 N8 O16 -","4","1","","Briccyle Cova; Alexander Briceño; Reinaldo Atencio","An unusual harmonisation of metal-based assemblies to achieve a mesoporous solid. Synthesis and crystal structure of a new silver(I) isonicotinate array","New J. Chem.","2001","25","12","1516","1519","10.1039/b106297m","","","0.71069","MoKα","","0.0215","0.0203","","0.0527","0.052","","","","1.184","1.195","1.195","","","","","has coordinates","176453","2020-10-21","18:00:00","" "7051217","8.9097","0.0006","16.3759","0.0011","16.7141","0.0011","90","","94.071","0.001","90","","2432.5","0.3","110","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","1,6-bis(pyridine)-1,6-diethyl-2,5,7,10-tetramesityl -1,6-diala-2,5,7,10-tetraaza-cylodecane","","","- C54 H72 Al2 N6 -","- C54 H72 Al2 N6 -","- C108 H144 Al4 N12 -","2","0.5","","Gabbai, François; Gardinier, James R.","Reaction of N,N'-bis(mesityl)ethylenediamine with triethylaluminum. Formation of ten-membered aluminum amide heterocycles","New Journal of Chemistry","2001","","","","","10.1039/b106488f","","","","","","","","","","","","","","","","","","","","","has coordinates","180066","2020-10-21","18:00:00","" "7051218","8.5899","0.0005","17.0806","0.0009","16.3606","0.0009","90","","95.131","0.001","90","","2390.8","0.2","110","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","1,6-bis(tetrahydrofuran)-1,6-diethyl-2,5,7,10- tetramesityl-1,6-diala-2,5,7,10-tetraaza-cylodecane","","","- C52 H78 Al2 N4 O2 -","- C52 H78 Al2 N4 O2 -","- C104 H156 Al4 N8 O4 -","2","0.5","","Gabbai, François; Gardinier, James R.","Reaction of N,N'-bis(mesityl)ethylenediamine with triethylaluminum. Formation of ten-membered aluminum amide heterocycles","New Journal of Chemistry","2001","","","","","10.1039/b106488f","","","","","","","","","","","","","","","","","","","","","has coordinates","180066","2020-10-21","18:00:00","" "7051219","13.0362","0.0006","8.7731","0.0004","16.834","0.0006","90","","107.289","0.002","90","","1838.28","0.14","200","","200","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","[Cd(L2)2(MeOH)2](ClO4)2","","- C32 H40 Cd Cl2 N8 O10 -","- C32 H40 Cd Cl2 N8 O10 -","- C64 H80 Cd2 Cl4 N16 O20 -","2","0.5","","Sui, Bin; Fan, Jian; Okamura, Taka-aki; Sun, Wei-Yin; Ueyama, Norikazu","Anion exchange properties of a two-dimensional coordination framework of cadmium(II) with 1,3-bis(imidazol-1-ylmethyl)-5-methylbenzene","New Journal of Chemistry","2001","25","11","1379","1381","10.1039/b106750h","","","0.71069","MoKα","","0.0484","0.0355","","","0.0886","0.0918","","","","","","1.008","","","","has coordinates","180066","2020-10-21","18:00:00","" "7051220","17.405","0.004","11.06","0.002","8.286","0.0017","90","","101.83","0.03","90","","1561.2","0.6","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C15 H20 N4 O2 -","- C15 H20 N4 O2 -","- C60 H80 N16 O8 -","4","0.5","","Sui, Bin; Fan, Jian; Okamura, Taka-aki; Sun, Wei-Yin; Ueyama, Norikazu","Anion exchange properties of a two-dimensional coordination framework of cadmium(II) with 1,3-bis(imidazol-1-ylmethyl)-5-methylbenzene","New Journal of Chemistry","2001","25","11","1379","1381","10.1039/b106750h","","","0.71073","MoKα","","0.0685","0.0441","","","0.1177","0.1322","","","","","","1.011","","","","has coordinates","180066","2020-10-21","18:00:00","" "7051221","18.112","0.01","10.86","0.005","23.781","0.01","90","","90","","90","","4678","4","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C14 H27 Ag2 Cl2 N9 O8 -","- C14 H27 Ag2 Cl2 N9 O8 -","- C112 H216 Ag16 Cl16 N72 O64 -","8","1","","Zheng, Shao-Liang; Tong, Ming-Liang; Zhu, Hai-Liang; Chen, Xiao-Ming","Four two-dimensional highly undulating silver(I)–hexamethylenetetramine co-ordination networks containing micropores","New Journal of Chemistry","2001","25","11","1425","","10.1039/b107193a","","","0.71073","MoKα","","0.0946","0.0492","","","0.108","0.1289","","","","","","1.035","","","","has coordinates","180066","2020-10-21","18:00:00","" "7051222","11.488","0.003","10.395","0.003","19.527","0.007","90","","90","","90","","2331.9","1.2","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C9 H15 Ag N4 O4 -","- C9 H15 Ag N4 O4 -","- C72 H120 Ag8 N32 O32 -","8","1","","Zheng, Shao-Liang; Tong, Ming-Liang; Zhu, Hai-Liang; Chen, Xiao-Ming","Four two-dimensional highly undulating silver(I)–hexamethylenetetramine co-ordination networks containing micropores","New Journal of Chemistry","2001","25","11","1425","","10.1039/b107193a","","","0.71073","MoKα","","0.0738","0.0527","","","0.1384","0.154","","","","","","1.011","","","","has coordinates","180066","2020-10-21","18:00:00","" "7051223","11.717","0.004","11.741","0.006","10.478","0.007","90","","90","","90","","1441.5","1.3","293","2","293","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C13 H19 Ag N4 O3 -","- C13 H19 Ag N4 O3 -","- C52 H76 Ag4 N16 O12 -","4","1","","Zheng, Shao-Liang; Tong, Ming-Liang; Zhu, Hai-Liang; Chen, Xiao-Ming","Four two-dimensional highly undulating silver(I)–hexamethylenetetramine co-ordination networks containing micropores","New Journal of Chemistry","2001","25","11","1425","","10.1039/b107193a","","","0.71073","MoKα","","0.0612","0.0523","","","0.1319","0.1404","","","","","","1.03","","","","has coordinates","180066","2020-10-21","18:00:00","" "7051224","11.62","0.006","10.807","0.005","23.145","0.012","90","","90","","90","","2906","3","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C13 H19 Ag N4 O4 -","- C13 H19 Ag N4 O4 -","- C104 H152 Ag8 N32 O32 -","8","1","","Zheng, Shao-Liang; Tong, Ming-Liang; Zhu, Hai-Liang; Chen, Xiao-Ming","Four two-dimensional highly undulating silver(I)–hexamethylenetetramine co-ordination networks containing micropores","New Journal of Chemistry","2001","25","11","1425","","10.1039/b107193a","","","0.71073","MoKα","","0.1137","0.0566","","","0.1149","0.1362","","","","","","1.024","","","","has coordinates","180066","2020-10-21","18:00:00","" "7051225","11.2163","0.0013","9.612","0.0012","12.786","0.002","90","","91.796","0.006","90","","1377.8","0.3","223","2","223","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","Rhodizonic acid dihydrate","","","- C6 H6 O8 -","- C6 H6 O8 -","- C48 H48 O64 -","8","1","","Braga, Dario; Cojazzi, Gianna; Maini, Lucia; Grepioni, Fabrizia","Reversible solid-state interconversion of rhodizonic acid H2C6O6 into H6C6O8 and the solid-state structure of the rhodizonate dianion C6O62‒ (aromatic or non-aromatic?)","New Journal of Chemistry","2001","25","10","1221","","10.1039/b107317f","","","0.71073","MoKα","","0.1436","0.0592","","","0.1194","0.1462","","","","","","0.73","","","","has coordinates","202017","2020-10-21","18:00:00","" "7051226","12.522","0.004","8.354","0.004","3.761","0.003","90","","96.93","0.05","90","","390.6","0.4","223","2","223","2","","","","","","","","3","C 1 2/m 1","-C 2y","12","Rubidium rhodizonate","","","- C6 O6 Rb2 -","- C6 O6 Rb2 -","- C12 O12 Rb4 -","2","0.25","","Braga, Dario; Cojazzi, Gianna; Maini, Lucia; Grepioni, Fabrizia","Reversible solid-state interconversion of rhodizonic acid H2C6O6 into H6C6O8 and the solid-state structure of the rhodizonate dianion C6O62‒ (aromatic or non-aromatic?)","New Journal of Chemistry","2001","25","10","1221","","10.1039/b107317f","","","0.71073","MoKα","","0.0545","0.0374","","","0.1006","0.1061","","","","","","1.003","","","","has coordinates","180066","2020-10-21","18:00:00","" "7051227","22.9235","0.0007","9.9309","0.0005","12.8363","0.0007","90","0.01","101.078","0.003","90","0.01","2867.8","0.4","298","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C33 H38 N4 O2 -","- C33 H38 N4 O2 -","- C132 H152 N16 O8 -","4","1","","Baouid, A.; Compain, P.; Huet, Francois; Lavergne, J. P.","Highly peri-, regio- and diasteroselective 1,3-dipolar cycloaddition of mesitontrile oxide to 1,4-diazepines: unexpected one-step formation of a new triheterocyclic framework.","New Journal of Chemistry","2001","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","180066","2020-10-21","18:00:00","" "7051228","15.246","0.003","22.372","0.004","21.359","0.004","90","","100.2","0.03","90","","7170","2","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C36 H30 Cl2 Cu N6 O11 -","- C36 H30 Cl2 Cu N6 O11 -","- C288 H240 Cl16 Cu8 N48 O88 -","8","2","","Tong, Ming-Liang; Wu, Ying-Miao; Zheng, Shao-Liang; Chen, Xiao-Ming; Yuen, Tan; Lin, Chuan-Long; Huang, Xiaoying; Li, Jing","A three-dimensional honeycomb-like network constructed with novel one-dimensional S-shaped chains via hydrogen bonding and π‒π interactions","New Journal of Chemistry","2001","25","12","1482","1485","10.1039/b107655h","","","0.71073","MoKα","","0.1111","0.0487","","","0.1278","0.1584","","","","","","0.968","","","","has coordinates","180544","2020-10-21","18:00:00","" "7051229","7.9346","0.0004","18.6728","0.0009","13.9672","0.0007","90","","104.485","0.003","90","","2003.62","0.17","80","2","80","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C10 H27 Au Cl4 O8 -","- C10 H27 Au Cl4 O8 -","- C40 H108 Au4 Cl16 O32 -","4","1","","Maria Calleja; Sax A. Mason; Paul D. Prince; Jonathan W. Steed; Clive Wilkinson","Single Crystal Neutron and X-ray Diffraction Studies of (H7O3)[AuCl4]·15-crown-5.","New Journal of Chemistry","2001","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","180066","2020-10-21","18:00:00","" "7051230","7.9441","0.0007","18.6964","0.0016","13.9886","0.001","90","","104.347","0.003","90","","2012.9","0.3","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C10 H27 Au Cl4 O8 -","- C10 H27 Au Cl4 O8 -","- C40 H108 Au4 Cl16 O32 -","4","1","","Maria Calleja; Sax A. Mason; Paul D. Prince; Jonathan W. Steed; Clive Wilkinson","Single Crystal Neutron and X-ray Diffraction Studies of (H7O3)[AuCl4]·15-crown-5.","New Journal of Chemistry","2001","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","180066","2020-10-21","18:00:00","" "7052468","11.8719","0.0015","7.8232","0.0012","12.9433","0.0016","90","","99.176","0.015","90","","1186.7","0.3","213","2","213","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C15 H10 N2 O2 -","- C15 H10 N2 O2 -","- C60 H40 N8 O8 -","4","1","","Eastmond, Geoffrey C.; Gilchrist, Thomas L.; Paprotny, Jerzy; Steiner, Alexander","Cyano-activated fluoro displacement reactions in the synthesis of cyanophenoxazines and related compounds","New Journal of Chemistry","2001","25","3","385","","10.1039/b008503k","","","0.71073","MoKα","","0.1212","0.1113","","","0.2915","0.2972","","","","","","1.131","","","","has coordinates","202017","2020-10-21","18:00:00","" "7052469","27.732","0.006","7.833","0.002","19.416","0.004","90","","106.8","0.03","90","","4037.6","1.7","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C13 H7 N O2 -","- C13 H7 N O2 -","- C208 H112 N16 O32 -","16","2","","Eastmond, Geoffrey C.; Paprotny, Jerzy; Steiner, Alexander; Swanson, Linda","Synthesis of cyanodibenzo[1,4]dioxines and their derivatives by cyano-activated fluoro displacement reactions","New Journal of Chemistry","2001","25","3","379","","10.1039/b008508l","","","0.71073","MoKα","","0.1394","0.0464","","","0.0927","0.1124","","","","","","0.661","","","","has coordinates","180078","2020-10-21","18:00:00","" "7052470","10.6409","0.0015","5.9763","0.0007","16.382","0.002","90","","102.504","0.017","90","","1017.1","0.2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H6 F N O4 -","- C12 H6 F N O4 -","- C48 H24 F4 N4 O16 -","4","1","","Eastmond, Geoffrey C.; Paprotny, Jerzy; Steiner, Alexander; Swanson, Linda","Synthesis of cyanodibenzo[1,4]dioxines and their derivatives by cyano-activated fluoro displacement reactions","New Journal of Chemistry","2001","25","3","379","","10.1039/b008508l","","","0.71073","MoKα","","0.051","0.0373","","","0.102","0.1089","","","","","","1.021","","","","has coordinates,has disorder","180078","2020-10-21","18:00:00","" "7052471","9.2675","0.0003","8.1573","0.0003","13.8649","0.0005","90","","102.968","0.001","90","","1021.42","0.06","130","1","130","1","","","","","","","","4","P 1 21 1","P 2yb","4","","7,7-di(S(+)-2-(methoxy)pyrrolidino)-8,8-dicyanoquinodimethane","","- C22 H28 N4 O2 -","- C22 H28 N4 O2 -","- C44 H56 N8 O4 -","2","1","","Srinivasa Gopalan, R.; Kulkarni, Giridhar U.; Ravi, M.; Rao, C. N. R.","A charge density study of an intramolecular charge-transfer quinoid compound with strong NLO properties","New Journal of Chemistry","2001","25","9","1108","","10.1039/b103117c","","","0.71073","MoKα","","0.2382","0.1383","","0.2175","0.1803","","","","1.632","1.835","1.835","","","","","has coordinates","202017","2020-10-21","18:00:00","" "7052472","6.923","0.002","17.925","0.003","8.08","0.003","90","","104.39","0.01","90","","971.2","0.5","295","2","295","2","","","","","","","","3","I2/m","","","","perfluoronaphthalene phenanthrene complex (1:1)","","- C24 H10 F8 -","","","2","","","Collings, Jonathan C.; Roscoe, Karl P.; Thomas, Rhodri Ll.; Batsanov, Andrei S.; Stimson, Lorna M.; Howard, Judith A. K.; Marder, Todd B.","Arene-perfluoroarene interactions in crystal engineering. Part 3. Single-crystal structures of 1 : 1 complexes of octafluoronaphthalene with fused-ring polyaromatic hydrocarbons","New Journal of Chemistry","2001","25","11","1410","1417","10.1039/b105502j","","","0.71073","MoKα","","","","","","","","","","","","","","","","","","219075","2020-10-21","18:00:00","" "7052473","22.9235","0.0007","9.9309","0.0005","12.8363","0.0007","90","0.01","101.078","0.003","90","0.01","2867.7","0.2","298","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C33 H38 N4 O2 -","- C33 H38 N4 O2 -","- C132 H152 N16 O8 -","4","1","","Baouid, Abdesselam; Elhazazi, Saïd; Hasnaoui, Aïssa; Compain, Philippe; Lavergne, Jean-Pierre; Huet, François","Highly peri-, regio- and diastereoselective 1,3-dipolar cycloaddition of mesitonitrile oxide to 1,7-dimethyl-2,3-dihydro-1H-1,4-diazepines: unexpected one-step formation of a new triheterocyclic framework","New Journal of Chemistry","2001","25","12","1479","1481","10.1039/B107409C","","","0.71073","MoKα","","","0.073","","","","0.083","","","","","","1.575","","","","has coordinates","176428","2020-10-21","18:00:00","" "7052475","7.9346","0.0004","18.6728","0.0009","13.9672","0.0007","90","","104.485","0.003","90","","2003.62","0.17","80","2","80","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C10 H27 Au Cl4 O8 -","- C10 H27 Au Cl4 O8 -","- C40 H108 Au4 Cl16 O32 -","4","1","","Calleja, Maria; Mason, Sax A.; Paul D. Prince; Steed, Jonathan W.; Wilkinson, Clive","Single crystal neutron and X-ray diffraction studies of (H7O3)[AuCl4]·15-crown-5","New Journal of Chemistry","2001","25","12","1475","1478","10.1039/B108935H","","neutron","1.2316","neutron","","0.0508","0.0381","","","0.0804","0.0851","","","","","","1.078","","","","has coordinates","176428","2020-10-21","18:00:00","" "7052476","7.9441","0.0007","18.6964","0.0016","13.9886","0.001","90","","104.347","0.003","90","","2012.9","0.3","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C10 H27 Au Cl4 O8 -","- C10 H27 Au Cl4 O8 -","- C40 H108 Au4 Cl16 O32 -","4","1","","Calleja, Maria; Mason, Sax A.; Paul D. Prince; Steed, Jonathan W.; Wilkinson, Clive","Single crystal neutron and X-ray diffraction studies of (H7O3)[AuCl4]·15-crown-5","New Journal of Chemistry","2001","25","12","1475","1478","10.1039/B108935H","","","0.71073","MoKα","","0.0462","0.0358","","","0.0789","0.083","","","","","","1.107","","","","has coordinates","176428","2020-10-21","18:00:00","" "7052515","11.88","0.0009","15.0636","0.0012","20.7172","0.0017","93.716","0.002","93.872","0.002","107.226","0.002","3519.1","0.5","295","2","295","2","","","","","","","","6","P -1","-P 1","2","","","","- C77 H66 Al N O8 Si6 -","- C77 H66 Al N O8 Si6 -","- C154 H132 Al2 N2 O16 Si12 -","2","1","","Gun'ko, Yurii K.; Reilly, Roisin; Kessler, Vadim G.","A convenient route to anionic and cyclic aluminosiloxanes: crystal structures of [PyH][Al{OSiPh2(OSiPh2)2O}2] and the first twelve-membered organic aluminosilicate Al2Si4O6 ring","New Journal of Chemistry","2001","25","4","528","530","10.1039/b009556g","","","0.71073","MoKα","","0.115","0.054","","","0.1125","0.1284","","","","","","0.925","","","","has coordinates","180079","2020-10-21","18:00:00","" "7052516","14.275","0.004","16.322","0.004","16.56","0.004","90","","113.911","0.006","90","","3527.3","1.6","295","2","295","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C60 H64 Al2 Cl2 O7 Si4 -","- C64 Al2 Cl2 O10 Si4 -","- C128 Al4 Cl4 O20 Si8 -","2","0.5","","Gun'ko, Yurii K.; Reilly, Roisin; Kessler, Vadim G.","A convenient route to anionic and cyclic aluminosiloxanes: crystal structures of [PyH][Al{OSiPh2(OSiPh2)2O}2] and the first twelve-membered organic aluminosilicate Al2Si4O6 ring","New Journal of Chemistry","2001","25","4","528","","10.1039/b009556g","","","0.71073","MoKα","","0.1696","0.0782","","","0.1792","0.2024","","","","","","1.151","","","","has coordinates","180079","2020-10-21","18:00:00","" "7052517","26.559","0.003","6.373","0.001","8.079","0.001","90","","90","","90","","1367.5","0.3","569.4","","569.4","","","","","","","","","4","P n m a","-P 2ac 2n","62","(1,2-dihydro-N-tolyl-4,6-dimethylpyrimidin-2-ones) HNO3 salt","","","- C13 H15 N3 O4 -","- C8.5 H12.5 N1.5 O2 -","- C34 H50 N6 O8 -","4","0.5","","","Crystal engineering of neutral N-arylpyrimidinones and their HCl and HNO3 adducts with a C‒H⋯O supramolecular synthon. Implications for non-linear optics","New Journal of Chemistry","2001","25","12","1520","","10.1039/b104646m","","","0.7107","MoKα","","0.0644","0.064","","0.061","","0.061","","","3.835","","","3.83","","","","has coordinates","193981","2020-10-21","18:00:00","" "7052518","26.88","0.003","6.348","0.001","8.102","0.001","90","","90","","90","","1382.5","0.3","296.2","","296.2","","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C12 H12 Cl N3 O4 -","- C12 H12 Cl N3 O4 -","- C48 H48 Cl4 N12 O16 -","4","0.5","","","Crystal engineering of neutral N-arylpyrimidinones and their HCl and HNO3 adducts with a C‒H⋯O supramolecular synthon. Implications for non-linear optics","New Journal of Chemistry","2001","25","12","1520","","10.1039/b104646m","","","0.7107","MoKα","","0.0593","0.059","","0.063","","0.063","","","2.895","","","2.9","","","","has coordinates","180079","2020-10-21","18:00:00","" "7052519","6.801","0.001","12.199","0.001","7.327","0.001","90","","90","","90","","607.89","0.13","296.2","","296.2","","","","","","","","Local laboratory","5","P m n 21","P 2ac -2","31","","","","- C12 H13 Cl N2 O -","- C12 H13 Cl N2 O -","- C24 H26 Cl2 N4 O2 -","2","0.5","","","Crystal engineering of neutral N-arylpyrimidinones and their HCl and HNO3 adducts with a C‒H⋯O supramolecular synthon. Implications for non-linear optics","New Journal of Chemistry","2001","25","12","1520","","10.1039/b104646m","","","0.7107","MoKα","","0.0398","0.04","","0.052","","0.052","","","2.008","","","2.01","","","","has coordinates","193981","2020-10-21","18:00:00","" "7052520","7.3047","0.0007","6.7669","0.0006","13.444","0.002","90","","105.59","0.01","90","","640.09","0.13","296.2","","296.2","","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C13 H15 Cl N2 O -","- C13 H15 Cl N2 O -","- C26 H30 Cl2 N4 O2 -","2","0.5","","","Crystal engineering of neutral N-arylpyrimidinones and their HCl and HNO3 adducts with a C‒H⋯O supramolecular synthon. Implications for non-linear optics","New Journal of Chemistry","2001","25","12","1520","","10.1039/b104646m","","","0.7107","MoKα","","0.0365","0.037","","0.043","","0.043","","","3.015","","","3.02","","","","has coordinates","180079","2020-10-21","18:00:00","" "7052521","7.313","0.001","6.668","0.002","13.644","0.002","90","","105.23","0.01","90","","642","0.2","296.2","","296.2","","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C12 H12 Cl2 N2 O -","- C8 H10 Cl N O0.5 -","- C16 H20 Cl2 N2 O -","2","0.5","","","Crystal engineering of neutral N-arylpyrimidinones and their HCl and HNO3 adducts with a C‒H⋯O supramolecular synthon. Implications for non-linear optics","New Journal of Chemistry","2001","25","12","1520","","10.1039/b104646m","","","0.7107","MoKα","","0.0384","0.038","","0.041","","0.041","","","2.693","","","2.69","","","","has coordinates","180079","2020-10-21","18:00:00","" "7111054","16.042","0.003","20.771","0.004","21.165","0.004","90","","107.74","0.03","90","","6717","2","153","2","153","2","","","","","","","selfmade","6","P 1 21/c 1","-P 2ybc","14","mu-cyclopentadienidebis(toluene indium) mu-hydroxybis(tris(pentafluorophenyl)borate toluene solvate","","","- C69.5 H40 B2 F30 In2 O -","- C69.5 H40 B2 F30 In2 O -","- C278 H160 B8 F120 In8 O4 -","4","1","","Cowley, Alan H.; Macdonald, Charles L. B.; Silverman, Joel S.; Gorden, John D.; Voigt, Andreas","Triple-decker main group cations","Chemical Communications","2001","","2","175","","10.1039/b005425i","","","0.71073","MoKα","","0.059","0.0417","","0.1268","0.115","","","","1.395","1.441","1.441","","","","","has coordinates","176453","2020-10-21","18:00:00","" "7111055","22.147","0.004","15.092","0.003","17.352","0.004","90","","115.11","0.03","90","","5252","2","293","2","293","2","","","","","","","selfmade","5","C 1 c 1","C -2yc","9","distannocenium tetrakis(pentafluorophenyl)gallate","","","- C54 H45 F20 Ga Sn2 -","- C54 H45 F20 Ga Sn2 -","- C216 H180 F80 Ga4 Sn8 -","4","1","","Cowley, Alan H.; Macdonald, Charles L. B.; Silverman, Joel S.; Gorden, John D.; Voigt, Andreas","Triple-decker main group cations","Chemical Communications","2001","","2","175","","10.1039/b005425i","","","0.71073","MoKα","","0.1433","0.0631","","0.0968","0.0824","","","","1.344","1.532","1.532","","","","","has coordinates","180224","2020-10-21","18:00:00","" "7111057","16.785","0.004","19.727","0.006","15.847","0.003","90","","90","","90","","5247","2","153","2","153","2","","","","","","","selfmade","5","P n n a","-P 2a 2bc","52","","","","- C28.5 H32.5 Cl N2 Yb0.5 -","- C28.5 H32.5 Cl N2 Yb0.5 -","- C228 H260 Cl8 N16 Yb4 -","8","1","","Abernethy, Colin D.; Macdonald, Charles L. B.; Cowley, Alan H.; Clyburne, Jason A. C.","A persistent C‒H‥C(π) T-stacked cation","Chemical Communications","2001","","1","61","","10.1039/b005450j","","","0.71073","MoKα","","0.1014","0.0403","","0.0804","0.0664","","","","1.104","1.237","1.237","","","","","has coordinates","176453","2020-10-21","18:00:00","" "7111077","7.3374","0.0006","8.6976","0.0007","9.2006","0.0008","81.9232","0.0015","89.3677","0.0019","84.3131","0.0015","578.47","0.08","193","2","193","2","","","","","","","","5","P -1","-P 1","2","","","","- C6 H8 Ba O10 S2 -","- C6 H8 Ba O10 S2 -","- C12 H16 Ba2 O20 S4 -","2","1","","Côté, Adrien P.; Shimizu, George K. H.","The first example of a functional pillared metal sulfonate network","Chemical Communications","2001","","3","251","","10.1039/b005923o","","","0.71073","MoKα","","0.0312","0.0275","","","0.0665","0.0678","","","","","","1.007","","","","has coordinates","180224","2020-10-21","18:00:00","" "7111112","16.1225","0.0019","11.3408","0.0013","31.106","0.004","90","","104.19","0.002","90","","5513.9","1.2","193","2","193","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C62 H56 N6 Ni O6 -","- C62 H56 N6 Ni O6 -","- C248 H224 N24 Ni4 O24 -","4","0.5","","Biradha, Kumar; Fujita, Makoto","Selective formation of rectangular grid coordination polymers with grid dimensions 10 ×15, 10 ×20 and 15 ×20 Å","Chemical Communications","2001","","1","15","","10.1039/b007014i","","","0.71073","MoKα","","0.1189","0.0623","","","0.1412","0.1654","","","","","","1.014","","","","has coordinates","180225","2020-10-21","18:00:00","" "7111113","39.824","0.003","15.584","0.0009","11.2915","0.0009","90","","90","","90","","7007.7","0.9","193","2","193","2","","","","","","","","5","P n n a","-P 2a 2bc","52","","","","- C80 H72 N6 Ni O6 -","- C80 H60 N6 Ni O6 -","- C320 H240 N24 Ni4 O24 -","4","0.5","","Biradha, Kumar; Fujita, Makoto","Selective formation of rectangular grid coordination polymers with grid dimensions 10 ×15, 10 ×20 and 15 ×20 Å","Chemical Communications","2001","","1","15","","10.1039/b007014i","","","0.71073","MoKα","","0.091","0.0685","","","0.1732","0.1864","","","","","","1.056","","","","has coordinates","180225","2020-10-21","18:00:00","" "7111114","15.7742","0.0012","19.9751","0.0015","16.2065","0.0013","90","","106.398","0.002","90","","4898.8","0.7","193","2","193","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C58 H44 N6 Ni O7 -","- C58 H44 N6 Ni O7 -","- C232 H176 N24 Ni4 O28 -","4","0.5","","Biradha, Kumar; Fujita, Makoto","Selective formation of rectangular grid coordination polymers with grid dimensions 10 ×15, 10 ×20 and 15 ×20 Å","Chemical Communications","2001","","1","15","","10.1039/b007014i","","","0.71073","MoKα","","0.1145","0.0691","","","0.1923","0.2092","","","","","","1.1","","","","has coordinates","180225","2020-10-21","18:00:00","" "7111119","39.92","0.008","11.851","0.002","16.94","0.003","90","","105.6","0.03","90","","7719","3","173","2","173","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C38.5 H33.5 Cl2.5 Fe N2 O4 P2 Pd -","- C38.5 H33 Cl2.5 Fe N2 O4 P2 Pd -","- C308 H264 Cl20 Fe8 N16 O32 P16 Pd8 -","8","1","","Braunstein, Pierre; Durand, Jérôme; Knorr, Michael; Strohmann, Carsten","Heterobimetallic intermediates in alkene insertion reactions into a Pd‒acetyl bond","Chemical Communications","2001","","2","211","","10.1039/b007171o","","","0.71073","MoKα","","0.1209","0.0574","","0.1372","0.1241","","","","1.042","1.384","1.384","","","","","has coordinates","176453","2020-10-21","18:00:00","" "7111120","12.468","0.002","14.54","0.003","20.969","0.004","90","","103.4","0.03","90","","3697.9","1.3","173","2","173","2","","","","","","","","10","P 1 21/n 1","-P 2yn","14","","","","- C33 H31 B Cl2 F4 Fe N O5 P2 Pd -","- C33 H31 B Cl2 F4 Fe N O5 P2 Pd -","- C132 H124 B4 Cl8 F16 Fe4 N4 O20 P8 Pd4 -","4","1","","Braunstein, Pierre; Durand, Jérôme; Knorr, Michael; Strohmann, Carsten","Heterobimetallic intermediates in alkene insertion reactions into a Pd‒acetyl bond","Chemical Communications","2001","","2","211","","10.1039/b007171o","","","0.71073","MoKα","","0.0881","0.0573","","0.1518","0.1404","","","","1.001","1.187","1.187","","","","","has coordinates","180225","2020-10-21","18:00:00","" "7111121","10.931","0.002","12.0774","0.0015","22.688","0.003","90","","98.48","0.02","90","","2962.5","0.8","173","2","173","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C30 H25 Cl Fe O4 P2 Pd -","- C30 H25 Cl Fe O4 P2 Pd -","- C120 H100 Cl4 Fe4 O16 P8 Pd4 -","4","1","","Braunstein, Pierre; Durand, Jérôme; Knorr, Michael; Strohmann, Carsten","Heterobimetallic intermediates in alkene insertion reactions into a Pd‒acetyl bond","Chemical Communications","2001","","2","211","","10.1039/b007171o","","","0.71073","MoKα","","0.0723","0.0599","","0.176","0.1677","","","","1.11","1.191","1.191","","","","","has coordinates","180225","2020-10-21","18:00:00","" "7111123","10.751","0.012","12.229","0.014","12.598","0.014","95.657","0.01","107.331","0.01","98.744","0.01","1544","3","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C44 H56 Cl8 Cu2 Fe2 N4 S8 -","- C22 H28 Cl4 Cu Fe N2 S4 -","- C44 H56 Cl8 Cu2 Fe2 N4 S8 -","2","1","","Beer, Paul D.; Berry, Neil; Fox, O. Danny; Padilla-Tosta, Miguel E.; Patell, Sarah; Drew, Michael G. B.","Self-assembled dithiocarbamate‒copper(ii) macrocycles for electrochemical anion recognition","Chemical Communications","2001","","2","199","","10.1039/b007296f","","","0.71073","MoKα","","0.1075","0.0578","","","0.159","0.1841","","","","","","1.054","","","","has coordinates","180225","2020-10-21","18:00:00","" "7111125","30.635","0.006","9.814","0.002","20.236","0.004","90","","111.1","0.03","90","","5676","2","133","2","133","2","","","","","","","selfmade","4","C 1 2/c 1","-C 2yc","15","pentamethylcyclopentadienyl aluminum tris(pentafluorophenyl)aluminum adduct","","","- C28 H15 Al2 F15 -","- C28 H15 Al2 F15 -","- C224 H120 Al16 F120 -","8","1","","Gorden, John D.; Macdonald, Charles L. B.; Cowley, Alan H.","A valence isomer of a dialane","Chemical Communications","2001","","1","75","","10.1039/b007341p","","","0.71073","MoKα","","0.1248","0.0767","","0.2316","0.1944","","","","1.456","1.518","1.518","","","","","has coordinates","180225","2020-10-21","18:00:00","" "7111126","7.076","0.002","7.669","0.002","15.909","0.004","95.924","0.004","94.948","0.004","113.897","0.006","777.3","0.4","173.2","","173.2","","","","","","","","","5","P -1","-P 1","2","","","","- C10 H16 Au2 Cu N6 -","- C10 H16 Au1.5 Cu N6 -","- C20 H32 Au3 Cu2 N12 -","2","1","","Leznoff, Daniel B.; Xue, Bao-Yu; Patrick, Brian O.; Sanchez, Victor; Thompson, Robert C.","An aurophilicity-determined 3-D bimetallic coordination polymer: using [Au(CN)2]− to increase structural dimensionality through gold‥gold bonds in (tmeda)Cu[Au(CN)2]2","Chemical Communications","2001","","3","259","","10.1039/b007342n","","","0.7107","MoKα","","0.0751","0.036","","0.0933","","0.044","","","1.186","","","1.276","","","","has coordinates","176453","2020-10-21","18:00:00","" "7111127","31.746","0.006","6.083","0.001","13.363","0.003","90","","104.35","0.03","90","","2500","0.9","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","trtra hydrate bis-4,4'-biphenylenedicarboxylato di sodium one cobalt","","- C28 H24 Co Na2 O12 -","- C28 H24 Co Na2 O12 -","- C112 H96 Co4 Na8 O48 -","4","0.5","","Pan, Long; Finkel, Bruce S.; Huang, Xiaoying; Li, Jing","The first pillared three-dimensional structure constructed by carboxylate ligands bridging heterometallic trilayers","Chemical Communications","2001","","1","105","","10.1039/b007344j","","","0.71073","MoKα","","0.1939","0.0589","","","0.0668","0.0878","","","","","","0.951","","","","has coordinates","180225","2020-10-21","18:00:00","" "7111134","9.987","0.002","13.692","0.003","18.553","0.004","90","","90","","90","","2537","0.9","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C25 H41 Li N4 -","- C25 H41 Li N4 -","- C100 H164 Li4 N16 -","4","1","","Andrews, Philip C.; Duggan, Peter J.; Maguire, Melissa; Nichols, Peter J.","Crystal structures of (R,R)-{[Ph(Me)CH]2NLi·pmdeta} and {[PhC(CH2)NH]Na·pmdeta}2: alkali metal amides derived from (R,R)-bis(α-methylbenzyl)amine","Chemical Communications","2001","","1","53","","10.1039/b007482i","","","0.71073","MoKα","","0.1771","0.0911","","","0.1261","0.1509","","","","","","1.101","","","","has coordinates","180225","2020-10-21","18:00:00","" "7111135","9.8409","0.0002","9.9864","0.0003","10.7169","0.0002","94.128","0.001","114.261","0.002","98.962","0.001","937.59","0.04","123","","273.2","","","","","","","","","4","P -1","-P 1","2","","","","- C26 H62 N8 Na2 -","- C34 H62 N8 Na2 -","- C34 H62 N8 Na2 -","1","0.5","","Andrews, Philip C.; Duggan, Peter J.; Maguire, Melissa; Nichols, Peter J.","Crystal structures of (R,R)-{[Ph(Me)CH]2NLi·pmdeta} and {[PhC(CH2)NH]Na·pmdeta}2: alkali metal amides derived from (R,R)-bis(α-methylbenzyl)amine","Chemical Communications","2001","","1","53","","10.1039/b007482i","","","0.7107","MoKα","","0.0838","0.0838","","0.0831","","0.0831","","","2.04","","","2.04","","","","has coordinates","183806","2020-10-21","18:00:00","" "7111143","11.8113","0.0004","12.633","0.0005","16.5025","0.0007","100.21","0.002","107.894","0.002","101.536","0.002","2219.41","0.16","183.2","","183.2","","","","","","","","","8","P -1","-P 1","2","","","","- C46 H46 B Cl2 F4 Ir N2 P2 -","- C50 H46 B Cl2 F4 Ir N2 P2 -","- C100 H92 B2 Cl4 F8 Ir2 N4 P4 -","2","1","","Lee, Dong-Heon; Chen, Junyi; Faller, Jack W.; Crabtree, Robert H.","Reversible α-elimination in the conversion of N‒CH3 to N‒CHIr by double C‒H activation","Chemical Communications","2001","","2","213","","10.1039/b007679l","","","0.7107","MoKalpha","","","0.0435","","","0.0424","","","","","1.337","1.337","","","","","has coordinates","176453","2020-10-21","18:00:00","" "7111144","14.4246","0.0006","14.776","0.0006","22.8912","0.0007","90","","107.342","0.002","90","","4657.2","0.3","183.2","","183.2","","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C49 H52 B F4 Ir N2 O2 P2 -","- C49 H52 B F4 Ir N2 O2 P2 -","- C196 H208 B4 F16 Ir4 N8 O8 P8 -","4","1","","Lee, Dong-Heon; Chen, Junyi; Faller, Jack W.; Crabtree, Robert H.","Reversible α-elimination in the conversion of N‒CH3 to N‒CHIr by double C‒H activation","Chemical Communications","2001","","2","213","","10.1039/b007679l","","","0.7107","MoKalpha","","","0.032","","","0.0342","","","","","0.805","0.805","","","","","has coordinates","176453","2020-10-21","18:00:00","" "7111147","17.773","0.001","20.209","0.001","26.259","0.001","90","","107.73","0.003","90","","8983.6","0.8","170","0.1","170","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","1,1,3,3,5,5- meso- hexaphenyl- 2,2,4,4,6,6- meso- hexamethyl- calix[6]pyrrole","","- C82.5 H89 Cl12 N6 O9.5 -","- C84.5 H66 Cl12 N6 O11 -","- C338 H264 Cl48 N24 O44 -","4","1","","Turner, Boaz; Shterenberg, Alexander; Kapon, Moshe; Eichen, Yoav; Suwinska, Kinga","Selective anion binding and solid-state host‒guest chemistry of an extended cavity calix[6]pyrrole","Chemical Communications","2001","","1","13","","10.1039/b007788g","","","0.7107","MoKα","","0.2231","0.1168","","","0.3188","0.3653","","","","","","1.014","","","","has coordinates","176453","2020-10-21","18:00:00","" "7111148","19.455","0.0005","19.762","0.0008","22.027","0.0008","90","","115.405","0.002","90","","7649.8","0.5","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","1,1,3,3,5,5- meso- hexaphenyl- 2,2,4,4,6,6- meso- hexamethyl- calix[6]pyrrole","","- C90.5 H81.5 N9 O6 -","- C90.5 H81.5 N9 O6 -","- C362 H326 N36 O24 -","4","1","","Turner, Boaz; Shterenberg, Alexander; Kapon, Moshe; Eichen, Yoav; Suwinska, Kinga","Selective anion binding and solid-state host‒guest chemistry of an extended cavity calix[6]pyrrole","Chemical Communications","2001","","1","13","","10.1039/b007788g","","","0.71073","MoKα","","0.1154","0.0732","","","0.1361","0.1509","","","","","","1.072","","","","has coordinates","176453","2020-10-21","18:00:00","" "7111149","8.7173","0.0005","16.8678","0.0007","20.416","0.002","90","","90","","90","","3002","0.4","183","2","183","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C24 H42 Al4 N6 -","- C24 H42 Al4 N6 -","- C96 H168 Al16 N24 -","4","0.5","","Gibson, Vernon C.; Redshaw, Carl; White, Andrew J. P.; Williams, David J.","Aluminium-containing ring systems and N-heterocycle formation via nitrile insertions into Al‒N bonds","Chemical Communications","2001","","1","79","","10.1039/b007810g","","","1.54178","CuKα","","0.116","0.0693","","0.241","0.1729","","","","1.052","1.119","1.119","","","","","has coordinates","176453","2020-10-21","18:00:00","" "7111150","12.1515","0.0012","16.0543","0.0012","22.31","0.0006","90","","90","","90","","4352.3","0.6","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C36 H48 Al6 N6 O6 -","- C36 H48 Al6 N6 O6 -","- C144 H192 Al24 N24 O24 -","4","1","","Gibson, Vernon C.; Redshaw, Carl; White, Andrew J. P.; Williams, David J.","Aluminium-containing ring systems and N-heterocycle formation via nitrile insertions into Al‒N bonds","Chemical Communications","2001","","1","79","","10.1039/b007810g","","","1.54178","CuKα","","0.0666","0.0545","","0.1433","0.1333","","","","1.039","1.055","1.055","","","","","has coordinates","176453","2020-10-21","18:00:00","" "7111151","9.2793","0.0006","10.5045","0.0007","15.466","0.001","87.784","0.001","76.796","0.001","64.068","0.001","1316.68","0.15","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H37 Mo N3 Si2 -","- C26 H37 Mo N3 Si2 -","- C52 H74 Mo2 N6 Si4 -","2","1","","Ortiz, Carlos G.; Abboud, Khalil A.; Cameron, Tom M.; Boncella, James M.","The synthesis of Mo(iv) arene complexes by the hydrogenation of Mo(iv) olefin complexes","Chemical Communications","2001","","3","247","","10.1039/b007812n","","","0.71073","MoKα","","0.0737","0.0452","","","0.0952","0.102","","","","","","0.905","","","","has coordinates","180225","2020-10-21","18:00:00","" "7111152","9.7367","0.0004","14.3272","0.0006","19.548","0.0008","90","","95.08","0.001","90","","2716.23","0.19","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C26 H37 Mo N3 Si2 -","- C26 H37 Mo N3 Si2 -","- C104 H148 Mo4 N12 Si8 -","4","1","","Ortiz, Carlos G.; Abboud, Khalil A.; Cameron, Tom M.; Boncella, James M.","The synthesis of Mo(iv) arene complexes by the hydrogenation of Mo(iv) olefin complexes","Chemical Communications","2001","","3","247","","10.1039/b007812n","","","0.71073","MoKα","","0.0342","0.0235","","","0.058","0.0611","","","","","","1.011","","","","has coordinates","180225","2020-10-21","18:00:00","" "7111153","15.507","0.002","9.7562","0.0006","19.92","0.002","90","","98.597","0.007","90","","2979.8","0.5","213","2","213","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C25 H32 Cl2 Cr2 N8 O3 -","- C25 H32 Cl2 Cr2 N8 O3 -","- C100 H128 Cl8 Cr8 N32 O12 -","4","1","","Clérac, Rodolphe; Cotton, F. Albert; Murillo, Carlos A.; Wang, Xiaoping","A remarkable Cr(iii) organometallic compound formed by an unprecedented rearrangement of a formamidinate anion","Chemical Communications","2001","","2","205","","10.1039/b007813l","","","0.71073","MoKα","","0.0428","0.0378","","","0.0928","0.0977","","","","","","1.087","","","","has coordinates","180225","2020-10-21","18:00:00","" "7111154","13.3839","0.0006","16.3962","0.0007","16.8506","0.0007","80.16","0.001","79.835","0.001","86.89","0.001","3585.1","0.3","193","","193","","","","","","","","","7","P -1","-P 1","2","","","","- C73 H63 B F24 N3 O Rh -","- C73 H63 B F27 N3 O Rh -","- C146 H126 B2 F54 N6 O2 Rh2 -","2","1","","Dias, Eric L.; Brookhart, Maurice; White, Peter S.","Synthesis and properties of a stable, cationic, rhodium Lewis-acid catalyst for hydrosilation, Mukaiyama aldol and cyclopropanation reactions","Chemical Communications","2001","","5","423","","10.1039/b007815h","","","0.71073","MolybdenumKα","","0.053","0.053","","0.056","0.056","","","","","2.02","2.02","","","","","has coordinates","176453","2020-10-21","18:00:00","" "7111158","38.11","0.004","18.827","0.002","38.448","0.004","90","","118.546","0.002","90","","24233","4","158","2","158","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C126 H160 B2 N12 O8.25 Zn2 -","- C126 H160 B2 N12 O8.25 Zn2 -","- C1008 H1280 B16 N96 O66 Zn16 -","8","2","","Shultz, David A.; Bodnar, Scot H.; Kampf, Jeff W.","Molecular structure of and exchange coupling in a bis(semiquinone) complex","Chemical Communications","2001","","1","93","","10.1039/b008037n","","","0.71073","MoKα","","0.1618","0.073","","","0.2174","0.2573","","","","","","1.016","","","","has coordinates","180225","2020-10-21","18:00:00","" "7111159","8.7782","0.0004","14.3181","0.0006","13.5684","0.0006","90","","107.16","0.001","90","","1629.46","0.12","293","2","293","2","","","","","","","","9","P 1 21/n 1","-P 2yn","14","","","","- C11 H9 B0 Br2 F0 N5 O P0 Pd -","- C13 H13 Br2 N5 O Pd -","- C52 H52 Br8 N20 O4 Pd4 -","4","1","","Peris, Eduardo; Mata, José; Loch, Jennifer A.; Crabtree, Robert H.","A Pd complex of a tridentate pincer CNC bis-carbene ligand as a robust homogenous Heck catalyst","Chemical Communications","2001","","2","201","","10.1039/b008038l","","","0.71073","MoKα","","0.0259","0.0225","","","0.06","0.0616","","","","","","0.776","","","","has coordinates","180225","2020-10-21","18:00:00","" "7111160","7.181","0.0019","12.269","0.004","15.442","0.005","71.251","0.005","83.454","0.006","84.585","0.006","1277.5","0.7","295","2","295","2","","","","","","","","4","P -1","-P 1","2","","","","- C25 H36 Al2 N2 -","- C25 H36 Al2 N2 -","- C50 H72 Al4 N4 -","2","1","","Yu, Zhengkun; Heeg, Mary Jane; Winter, Charles H.","A bridging ethyl complex of aluminium","Chemical Communications","2001","","4","353","","10.1039/b008047k","","","0.71073","MoKα","","0.2215","0.0392","","","0.0615","0.0808","","","","","","0.597","","","","has coordinates","180225","2020-10-21","18:00:00","" "7111161","14.96","0.002","9.443","0.002","15.639","0.004","90","0.013","102.2","0.014","90","0.02","2159.4","0.8","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C24 H29 Fe N O2 S -","- C24 H29 Fe N O2 S -","- C96 H116 Fe4 N4 O8 S4 -","4","1","","Malaun, Michael; Reeves, Zoe R.; Paul, Rowena L.; Jeffery, John C.; McCleverty, Jon A.; Ward, Michael D.; Asselberghs, Inge; Clays, Koen; Persoons, André","Reversible switching of the first hyperpolarisability of an NLO-active donor‒acceptor molecule based on redox interconversion of the octamethylferrocene donor unit","Chemical Communications","2001","","1","49","","10.1039/b008056j","","","0.71073","MoKα","","0.0734","0.0393","","0.1155","0.0934","","","","0.794","0.781","0.781","","","","","has coordinates","180225","2020-10-21","18:00:00","" "7111162","10.2058","0.0009","12.1655","0.0011","13.0266","0.0011","73.439","0.002","68.807","0.002","77.176","0.002","1432.6","0.2","173","2","173","2","","","","","","","","9","P -1","-P 1","2","","","","- C25 H31 Cl2 F6 Fe N O2 P S -","- C25 H31 Cl2 F6 Fe N O2 P S -","- C50 H62 Cl4 F12 Fe2 N2 O4 P2 S2 -","2","1","","Malaun, Michael; Reeves, Zoe R.; Paul, Rowena L.; Jeffery, John C.; McCleverty, Jon A.; Ward, Michael D.; Asselberghs, Inge; Clays, Koen; Persoons, André","Reversible switching of the first hyperpolarisability of an NLO-active donor‒acceptor molecule based on redox interconversion of the octamethylferrocene donor unit","Chemical Communications","2001","","1","49","","10.1039/b008056j","","","0.71073","MoKα","","0.0631","0.039","","","0.0906","0.0968","","","","","","0.939","","","","has coordinates","180225","2020-10-21","18:00:00","" "7111163","8.1206","0.0003","10.5914","0.0003","19.7984","0.0007","90","","100.513","0.001","90","","1674.25","0.1","296.2","","","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C18 H18 O6 -","- C18 H18 O6 -","- C72 H72 O24 -","4","1","","Yamazaki, Shoko; Yamada, Kuriko; Otsubo, Tetsuya; Haruna, Masayo; Kutsuwa, Emiko; Tamura, Hatsue","A novel Lewis acid-promoted enyne cycloisomerization of triester-substituted alkenes","Chemical Communications","2001","","1","69","","10.1039/b008103p","","","0.7107","MoKα","","","0.047","","","","0.052","","","","","","1.78","","","","has coordinates","176453","2020-10-21","18:00:00","" "7111164","13.453","0.003","15.28","0.003","12.736","0.003","90","","116","0.03","90","","2353.1","1.1","220","2","220","2","","","","","","","","7","C 1 m 1","C -2y","8","","","","- C27 H63 N6 O P Si Sn8 -","- C27 H66 N6 O P Si Sn8 -","- C54 H132 N12 O2 P2 Si2 Sn16 -","2","0.5","","Mosquera, Marta E. G.; Hopkins, Alexander D.; Raithby, Paul R.; Rothenberger, Alexander; Woods, Anthony D.; Wright, Dominic S.; Steiner, Alexander","Synthesis and structure of [{Sn4(NBut)3P}{Sn4(NBut)3(OSiMe3)}]; a low-oxidation state p-block metal complex containing a P3− anion","Chemical Communications","2001","","4","327","","10.1039/b008108f","","","0.71073","MoKα","","0.0593","0.0425","","0.1928","0.0875","","","","1.056","1.082","1.082","","","","","has coordinates","180225","2020-10-21","18:00:00","" "7111166","18.448","0.0002","28.738","0.0004","9.6088","0.0008","90","","90","","90","","5094.2","0.4","150","1","150","1","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C60 H48 F12 N4 O10 -","- C60 H48 F12 N4 O10 -","- C240 H192 F48 N16 O40 -","4","0.25","","Butler, Douglas N.; Shang, Muhong; Warrener, Ronald N.","A molecular ‘hamburger’: bonded benzene in a bun","Chemical Communications","2001","","2","159","","10.1039/b008178g","","","0.71073","MoKα","","0.0459","0.033","","","0.0762","0.0818","","","","","","1.036","","","","has coordinates","180225","2020-10-21","18:00:00","" "7111167","10.116","0.0007","10.882","0.0007","14.009","0.0011","74.267","0.004","79.846","0.004","81.039","0.004","1451.6","0.18","150","1","150","1","","","","","","","","5","P -1","-P 1","2","","","","- C34 H32 F6 N2 O6 -","- C34 H32 F6 N2 O6 -","- C68 H64 F12 N4 O12 -","2","1","","Butler, Douglas N.; Shang, Muhong; Warrener, Ronald N.","A molecular ‘hamburger’: bonded benzene in a bun","Chemical Communications","2001","","2","159","","10.1039/b008178g","","","0.7107","MoKα","","0.0911","0.0586","","","0.1292","0.1435","","","","","","1.016","","","","has coordinates","180225","2020-10-21","18:00:00","" "7111168","13.7369","0.0006","7.7697","0.0004","20.4778","0.0006","90","","108.483","0.002","90","","2072.89","0.15","150","1","150","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H18 F6 N2 O5 -","- C22 H18 F6 N2 O5 -","- C88 H72 F24 N8 O20 -","4","1","","Butler, Douglas N.; Shang, Muhong; Warrener, Ronald N.","A molecular ‘hamburger’: bonded benzene in a bun","Chemical Communications","2001","","2","159","","10.1039/b008178g","","","0.71073","MoKα","","0.0907","0.0518","","","0.1078","0.1209","","","","","","1.046","","","","has coordinates","180225","2020-10-21","18:00:00","" "7111169","6.926","0.0014","9.242","0.002","18.158","0.004","90","","90.04","0.03","90","","1162.3","0.4","110","2","110","2","","","","","","","","4","P 1 c 1","P -2yc","7","","","","- C12 H10 N6 O2 -","- C12 H10 N6 O2 -","- C48 H40 N24 O8 -","4","2","","Galán-Mascarós, José R.; Dunbar, Kim R.","A microporous framework from a magnetic molecular square: [Co(HAT)Cl2]4 (HAT = 1,4,5,8,9,11-hexaazatriphenylene)","Chemical Communications","2001","","2","217","","10.1039/b008209k","","","0.71069","MoKα","","0.1294","0.0522","","","0.0958","0.1203","","","","","","0.786","","","","has coordinates","180225","2020-10-21","18:00:00","" "7111170","17.663","0.003","17.663","0.003","12.171","0.003","90","","90","","90","","3797.1","1.3","110","2","110","2","","","","","","","","6","P 42/n n m :2","-P 4ac 2bc","134","","","","- C48 H78 Cl8 Co4 N24 O27 -","- C48 H24 Cl8 Co4 N24 O28.08 -","- C96 H48 Cl16 Co8 N48 O56.16 -","2","0.125","","Galán-Mascarós, José R.; Dunbar, Kim R.","A microporous framework from a magnetic molecular square: [Co(HAT)Cl2]4 (HAT = 1,4,5,8,9,11-hexaazatriphenylene)","Chemical Communications","2001","","2","217","","10.1039/b008209k","","","0.71069","MoKα","","0.2417","0.0824","","","0.2057","0.4082","","","","","","1.067","","","","has coordinates","180225","2020-10-21","18:00:00","" "7111171","13.738","0.0008","14.625","0.0009","15.751","0.001","99.765","0.003","114.847","0.003","92.241","0.003","2808.5","0.3","150","","295","","","","","","","","","3","P -1","-P 1","2","","1,2,2,5-tetrakis[di-tert-butyl(methyl)silyl]-4,7-diphenyl- 1,2,5-trisilabicyclo[4.2.0]hepta-3,6-diene","","- C52 H96 Si7 -","- C52 H96 Si7 -","- C104 H192 Si14 -","2","1","","Ichinohe, Masaaki; Matsuno, Tadahiro; Sekiguchi, Akira","Reaction of cyclotrisilene with phenylacetylene: an unusual product with a bicyclo[3.2.0]hepta-3,6-diene skeleton","Chemical Communications","2001","","2","183","","10.1039/b008375p","","","0.7107","MoKα","","0.0843","0.0705","","","0.1851","0.2015","","","","","","1.014","","","","has coordinates","180225","2020-10-21","18:00:00","" "7111172","12.1315","0.0006","15.3937","0.0008","17.6016","0.0007","87.207","0.005","80.276","0.005","87.046","0.006","3232.9","0.3","193","2","193","2","","","","","","","","4","P -1","-P 1","2","","","","- C68 H108 Ge2 P2 -","- C68 H108 Ge2 P2 -","- C136 H216 Ge4 P4 -","2","1","","Meiners, Frank; Saak, Wolfgang; Weidenbruch, Manfred","Reaction of a diarylgermylene with a phosphaalkyne: formation of a germadiphosphacyclobutene with an exocyclic CGe double bond","Chemical Communications","2001","","2","215","","10.1039/b008472g","","","0.71073","MoKα","","0.0901","0.0455","","","0.0953","0.1064","","","","","","0.862","","","","has coordinates,has disorder","180225","2020-10-21","18:00:00","" "7111173","16.5741","0.0009","13.5311","0.0007","16.0711","0.0008","90","","110.439","0.001","90","","3377.3","0.3","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C31 H31 Cl4 Cu N5 O8 -","- C31.004 H31.006 Cl4 Cu N5 O8 -","- C124.016 H124.024 Cl16 Cu4 N20 O32 -","4","1","","Börzel, Heidi; Comba, Peter; Pritzkow, Hans","Structural studies on dicopper(ii) compounds with catechol oxidase activity","Chemical Communications","2001","","1","97","","10.1039/b008714i","","","0.71073","MoKα","","0.0644","0.0417","","","0.1057","0.1176","","","","","","1.039","","","","has coordinates,has disorder","180225","2020-10-21","18:00:00","" "7111174","12.1045","0.0002","33.7116","0.0005","15.8529","0.0002","90","","103.798","0.001","90","","6282.29","0.16","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C55 H61 Cl6 Cu2 N9 O23 -","- C55 H60 Cl6 Cu2 N9 O23 -","- C220 H240 Cl24 Cu8 N36 O92 -","4","1","","Börzel, Heidi; Comba, Peter; Pritzkow, Hans","Structural studies on dicopper(ii) compounds with catechol oxidase activity","Chemical Communications","2001","","1","97","","10.1039/b008714i","","","0.71073","MoKα","","0.0957","0.0538","","","0.1347","0.1539","","","","","","0.994","","","","has coordinates,has disorder","180225","2020-10-21","18:00:00","" "7111175","19.3832","0.0005","19.5174","0.0005","24.2065","0.0007","71.184","0.002","80.39","0.002","76.041","0.002","8372.5","0.4","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C75 H75 Cl8 Cu2 N15.5 O14 -","- C75 H67 Cl8 Cu2 N15.5 O14 -","- C300 H268 Cl32 Cu8 N62 O56 -","4","2","","Börzel, Heidi; Comba, Peter; Pritzkow, Hans","Structural studies on dicopper(ii) compounds with catechol oxidase activity","Chemical Communications","2001","","1","97","","10.1039/b008714i","","","0.71073","MoKα","","0.1115","0.068","","","0.1737","0.1994","","","","","","1.046","","","","has coordinates","176453","2020-10-21","18:00:00","" "7111176","7.581","0.002","13.085","0.001","16.626","0.001","74.43","0.01","77.98","0.01","82.33","0.01","1548.6","0.4","150","0.2","150","0.2","","","","","","","","6","P -1","-P 1","2","","[5-methoxy-8-({2,4,6-trinitrophenyl}amino)quinolinyl-1] (triphenylphosphine)gold(I)","","- C34 H25 Au N5 O7 P -","- C34 H25 Au N5 O7 P -","- C68 H50 Au2 N10 O14 P2 -","2","1","","Kuz’mina, Lyudmila G.; Churakov, Andrei V.; Bagatur’yants, Alexander A.; Howard, Judith A. K.","Different positions of the formally isolobal moieties H+ and (AuPPh3)+ in N-(5-methoxyquinolyl-8)-2,4,6-trinitroaniline and its auration product","Chemical Communications","2001","","15","1394","","10.1039/b102938j","","","0.71073","MoKα","","0.1047","0.0694","","0.1588","0.1267","","","","1.141","1.166","1.166","","","","","has coordinates","180225","2020-10-21","18:00:00","" "7111177","14.729","0.001","18.049","0.001","21.493","0.001","90","","108.5","0.01","90","","5418.5","0.6","198","2","198","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C120 H120 N18 O18 Zn3 -","- C120 H120 N18 O18 Zn3 -","- C240 H240 N36 O36 Zn6 -","2","1","","Albrecht, Markus; Witt, Karen; Röttele, Herbert; Fröhlich, Roland","Stereoselective formation of a trinuclear hexa-stranded helicate-type zinc(ii) complex","Chemical Communications","2001","","15","1330","","10.1039/b103090f","","","0.71073","MoKα","","0.1606","0.0974","","","0.1819","0.2113","","","","","","1.105","","","","has coordinates","192782","2020-10-21","18:00:00","" "7111178","13.218","0.0011","15.8021","0.0013","20.8468","0.0018","90","","90","","90","","4354.3","0.6","150","2","150","2","","","","","","","","6","P n a 21","P 2c -2n","33","RATPA-c","","","- C17 H28 Cl4 N3 P Ru -","- C17 H28 Cl4 N3 P Ru -","- C136 H224 Cl32 N24 P8 Ru8 -","8","2","","Allardyce, Claire S.; Dyson, Paul J.; Ellis, David J.; Heath, Sarah L.","[Ru(η6-p-cymene)Cl2(pta)] (pta = 1,3,5-triaza-7-phosphatricyclo[3.3.1.1]decane): a water soluble compound that exhibits pH dependent DNA binding providing selectivity for diseased cells","Chemical Communications","2001","","15","1396","","10.1039/b104021a","","","0.71073","MoKα","","0.0547","0.0476","","","0.1225","0.127","","","","","","1.06","","","","has coordinates","180225","2020-10-21","18:00:00","" "7111179","11.5695","0.0015","12.0592","0.0018","18.076","0.003","77.406","0.017","79.846","0.016","67.346","0.016","2259.4","0.7","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","","","- C44 H52 N9 O6.5 P3 -","- C44 H52 N9 O6.5 P3 -","- C88 H104 N18 O13 P6 -","2","1","","Rivals, Frederic; Steiner, Alexander","The pentadecadentate phosphazenate [{2-(MeO)C6H4N}6P3N3]6‒: chelation of twelve lithium ions by a single ligand","Chemical Communications","2001","","16","1426","","10.1039/b104124j","","","0.71073","MoKα","","0.0759","0.037","","","0.0631","0.0684","","","","","","0.869","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00","" "7111180","14.5058","0.0008","14.5058","0.0008","100.883","0.011","90","","90","","120","","18384","2","200","2","200","2","","","","","","","","6","R -3 c :H","-R 3 2""c","167","","","","- C110 H172 Li12 N9 O26 P3 -","- C109.92 H171.84 Li12 N9 O25.98 P3 -","- C659.52 H1031.04 Li72 N54 O155.88 P18 -","6","0.166667","","Rivals, Frederic; Steiner, Alexander","The pentadecadentate phosphazenate [{2-(MeO)C6H4N}6P3N3]6‒: chelation of twelve lithium ions by a single ligand","Chemical Communications","2001","","16","1426","","10.1039/b104124j","","","0.71073","MoKα","","0.0845","0.0694","","","0.1966","0.2047","","","","","","1.055","","","","has coordinates,has disorder","180225","2020-10-21","18:00:00","" "7112141","26.497","0.003","26.497","0.003","12.1761","0.0019","90","","90","","120","","7403.3","1.5","165","2","165","2","","","","","","","","7","R -3 :H","-R 3","148","Tugsten sulfide cyano cluster","hexa sodium octakis(mu!3$-sulfido)-hexakis(cyano)-hexa-tungsten-octadecakis(dimethylsulfide)solvate","","- C42 H108 N6 Na6 O18 S26 W6 -","- C42.012 H108.036 N6 Na6 O18.006 S26.006 W6 -","- C126.036 H324.108 N18 Na18 O54.018 S78.018 W18 -","3","0.166667","","Jin, Song; DiSalvo, Francis J.","Novel octahedral tungsten sulfidocyanide cluster anion [W6S8(CN)6]6‒","Chemical Communications","2001","","17","1586","1587","10.1039/b104161b","","","0.71073","MoKα","","0.0314","0.0249","","","0.0563","0.0576","","","","","","1.572","","","","has coordinates,has disorder","180235","2020-10-21","18:00:00","" "7112142","15.3084","0.0015","15.3084","0.0016","15.3084","0.0016","90","0.002","90","0.003","90","0.003","3587.5","0.6","165","2","165","2","","","","","","","","7","F m -3 m","-F 4 2 3","225","Tugsten sulfidocyanide cluster","hexa potassium octakis(mu!3$-sulfido)-hexakis(cyano)-hexa-tungsten-decakis(water)solvate","","- C6 H20 K6 N6 O10 S8 W6 -","- C6 K6.046 N6 O9.896 S8 W6 -","- C24 K24.184 N24 O39.584 S32 W24 -","4","0.0208333","","Jin, Song; DiSalvo, Francis J.","Novel octahedral tungsten sulfidocyanide cluster anion [W6S8(CN)6]6‒","Chemical Communications","2001","","17","1586","1587","10.1039/b104161b","","","0.71073","MoKα","","0.0385","0.0348","","","0.0453","0.0457","","","","","","2.075","","","","has coordinates","180235","2020-10-21","18:00:00","" "7114666","9.7811","0.001","12.1069","0.0014","20.503","0.002","95.204","0.013","98.91","0.012","101.264","0.013","2334","0.5","180","2","180","2","","","","","","","synthesis as described","6","P -1","-P 1","2","","","","- C58 H48 Cl F3 P4 Ru -","- C56 H48 Cl F3 P4.5 Ru -","- C112 H96 Cl2 F6 P9 Ru2 -","2","1","","Rigaut, Stéphane; Le Pichon, Luc; Touchard, Daniel; Dixneuf, Pierre H.; Daran, Jean-Claude","A new binuclear ruthenium complex with an annelated C7 bridge via an unprecedented [2 + 2] coupling reaction","Chemical Communications","2001","","13","1206","","10.1039/b103301h","","","0.71073","MoKα","","0.0432","0.0303","","","0.0723","0.0766","","","","","","0.958","","","","has coordinates","176453","2020-10-21","18:00:00","" "7114667","12.3462","0.0004","21.9781","0.0007","14.0957","0.0004","90","","91.064","0.001","90","","3824.2","0.2","90","2","90","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","NacNacGa(N(SiMe3)N)2","","","- C35 H59 Ga N6 Si2 -","- C35 H59 Ga N6 Si2 -","- C140 H236 Ga4 N24 Si8 -","4","1","","Hardman, Ned J.; Power, Philip P.","Unique structural isomerism involving tetrazole and amide/azide derivatives of gallium","Chemical Communications","2001","","13","1184","","10.1039/b100466m","","","0.71073","MoKα","","0.0599","0.0454","","","0.1027","0.1055","","","","","","0.864","","","","has coordinates","180260","2020-10-21","18:00:00","" "7114668","20.1655","0.0008","17.8134","0.0007","21.2546","0.0009","90","","90","","90","","7635","0.5","91","2","91","2","","","","","","","","5","P b c n","-P 2n 2ab","60","NacNacGaN(SiMe3)2(N3)","","","- C35 H59 Ga N6 Si2 -","- C35 H59 Ga N6 Si2 -","- C280 H472 Ga8 N48 Si16 -","8","1","","Hardman, Ned J.; Power, Philip P.","Unique structural isomerism involving tetrazole and amide/azide derivatives of gallium","Chemical Communications","2001","","13","1184","","10.1039/b100466m","","","0.71073","MoKα","","0.0552","0.0354","","","0.0901","0.1023","","","","","","0.993","","","","has coordinates","180260","2020-10-21","18:00:00","" "7114669","10.4175","0.001","8.8264","0.001","12.67","0.002","90","","106.917","0.012","90","","1114.6","0.3","293","2","293","2","","","","","","","synthesis as described -# -#","4","P 1 21 1","P 2yb","4","","","","- C25 H29 N3 O3 -","- C25 H29 N3 O3 -","- C50 H58 N6 O6 -","2","1","","Bennasar, M.-Lluïsa; Zulaica, Ester; Alonso, Yolanda; Bosch, Joan; Mata, Ignasi; Molins, Elies","A biomimetic synthesis of (−)-N(a)-methylervitsine","Chemical Communications","2001","","13","1166","","10.1039/b102010m","","x-ray","0.71073","MoKα","","0.066","0.0374","","","0.1013","0.112","","","","","","1.02","","","","has coordinates","288304","2023-12-14","11:24:30","" "7114670","7.8271","0.0009","13.982","0.002","10.1237","0.0015","90","","106.577","0.012","90","","1061.9","0.3","143","2","143","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C12 H11 F O2 S -","- C12 H11 F O2 S -","- C48 H44 F4 O8 S4 -","4","1","","Roversi, Elena; Scopelliti, Rosario; Solari, Euro; Estoppey, Raphaël; Vogel, Pierre; Braña, Pedro; Menéndez, Bibiana; Sordo, JoséÁngel","The hetero-Diels‒Alder addition of sulfur dioxide: structure of the first crystalline sultine. Quantum calculations on the conformations of 6-fluoro-3,6-dihydro-1,2-oxathiine 2-oxides","Chemical Communications","2001","","13","1214","","10.1039/b103096p","","","0.71073","MoKα","","0.0572","0.052","","","0.1249","0.1293","","","","","","1.127","","","","has coordinates","180260","2020-10-21","18:00:00","" "7114671","27.63","0.02","11.432","0.012","17.03","0.02","90","","111.5","0.04","90","","5005","9","203","2","203","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C25.5 H28 F4 K O0.5 Si -","- C25.5 H28 F4 K O0.5 Si -","- C204 H224 F32 K8 O4 Si8 -","8","1","","Pietschnig, Rudolf; Merz, Klaus","The first polymer with a fluorosilicate backbone and a non-polar shell","Chemical Communications","2001","","13","1210","","10.1039/b102853g","","","0.71073","MoKα","","0.1281","0.0557","","","0.1142","0.1388","","","","","","0.914","","","","has coordinates","176453","2020-10-21","18:00:00","" "7114672","13.1592","0.0002","12.8779","0.0002","18.9782","0.0002","90","","109.83","","90","","3025.4","0.07","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C18 H34 Cr Gd N10 O7 -","- C18 H34 Cr Gd N10 O7 -","- C72 H136 Cr4 Gd4 N40 O28 -","4","1","","Figuerola, Albert; Diaz, Carmen; El Fallah, Mohamed S.; Ribas, Joan; Maestro, Miguel; Mahía, José","Structure and magnetism of the first cyano-bridged hetero-one-dimensional GdIII‒CrIII complexes","Chemical Communications","2001","","13","1204","","10.1039/b102739p","","","0.71073","MoKα","","0.0307","0.0263","","","0.0661","0.0678","","","","","","1.016","","","","has coordinates","180260","2020-10-21","18:00:00","" "7114673","9.8152","0.0003","10.7725","0.0003","19.7038","0.0006","83.55","","83.775","0.001","65.092","0.001","1873.3","0.1","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C31 H36 Cr Gd N11 O8 -","- C31 H36 Cr Gd N11 O8 -","- C62 H72 Cr2 Gd2 N22 O16 -","2","1","","Figuerola, Albert; Diaz, Carmen; El Fallah, Mohamed S.; Ribas, Joan; Maestro, Miguel; Mahía, José","Structure and magnetism of the first cyano-bridged hetero-one-dimensional GdIII‒CrIII complexes","Chemical Communications","2001","","13","1204","","10.1039/b102739p","","","0.71073","MoKα","","0.0392","0.0339","","","0.0791","0.081","","","","","","1.017","","","","has coordinates,has disorder","180260","2020-10-21","18:00:00","" "7114674","26.6469","0.0014","18.1576","0.0009","30.4233","0.0016","90","","90.282","0.001","90","","14719.9","1.3","193","2","193","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C44 H52.5 Cu4.63 Gd N27.25 O31.63 -","- C44 H46.5 Cu4.65 Gd N27.3 O31.65 -","- C352 H372 Cu37.2 Gd8 N218.4 O253.2 -","8","1","","Xu, Zhiqiang; Thompson, Laurence K.; Miller, David O.","A self-assembled novel octanuclear Cu(ii) ‘pin-wheel’ cluster exhibiting ferromagnetic coupling","Chemical Communications","2001","","13","1170","","10.1039/b101966j","","","0.71073","MoKα","","0.0845","0.0568","","","0.1631","0.1783","","","","","","1.05","","","","has coordinates","176453","2020-10-21","18:00:00","" "7114675","13.04","0.003","14.15","0.003","7.44","0.001","90","","90","","90","","1372.8","0.5","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C8 H20 N6 Ni O2 -","- C8 H20 N6 Ni O2 -","- C32 H80 N24 Ni4 O8 -","4","0.5","","Kryatov, Sergey V.; Smith, Millicent B.; Rybak-Akimova, Elena V.; Nazarenko, Alexander Y.","Condensation of acetonitrile into N-acetimidoylacetamidine promoted by a dinuclear nickel(ii) complex","Chemical Communications","2001","","13","1174","","10.1039/b101893k","","","0.71069","MoKα","","0.0585","0.032","","","0.0848","0.0977","","","","","","1.051","","","","has coordinates","180260","2020-10-21","18:00:00","" "7114676","16.687","0.002","21.984","0.003","9.31","0.003","90","","90","","90","","3415.3","1.3","125.2","","","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C35 H39 Cl O4 P2 W -","- C35 H39 Cl O4 P2 W -","- C140 H156 Cl4 O16 P8 W4 -","4","1","","Ito, Shigekazu; Yoshifuji, Masaaki","Preparation of carbonyltungsten(0) complexes of 2-chloro-3,3-diphenyl-1-(2,4,6-tri-tert-butylphenyl)-1,3-diphosphapropene","Chemical Communications","2001","","13","1208","","10.1039/b102810n","","","0.7107","MoKα","","","0.0489","","","","0.11","","","","","","1.274","","","","has coordinates","176453","2020-10-21","18:00:00","" "7114677","10.062","0.005","25.244","0.003","13.845","0.002","90","","93.92","0.003","90","","3508.5","1.9","120.2","","","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C36 H39 Cl O5 P2 W -","- C36 H39 Cl O5 P2 W -","- C144 H156 Cl4 O20 P8 W4 -","4","1","","Ito, Shigekazu; Yoshifuji, Masaaki","Preparation of carbonyltungsten(0) complexes of 2-chloro-3,3-diphenyl-1-(2,4,6-tri-tert-butylphenyl)-1,3-diphosphapropene","Chemical Communications","2001","","13","1208","","10.1039/b102810n","","","0.7107","MoKα","","","0.0309","","","","0.0734","","","","","","0.959","","","","has coordinates","176453","2020-10-21","18:00:00","" "7114678","21.479","0.002","21.479","0.002","29.303","0.003","90","","90","","90","","13519","2","223","2","223","2","","","","","","","","8","I -4 2 d","I -4 2bw","122","","","","- C44 H57 B3 Cl Cu2 F12 N8 O8.5 -","- C44 H40 B3 Cl Cu2 F12 N8 O6.5 -","- C352 H320 B24 Cl8 Cu16 F96 N64 O52 -","8","0.5","","Carlucci, Lucia; Ciani, Gianfranco; Proserpio, Davide M.; Rizzato, Silvia","Interlinked molecular squares with [Cu(2,2′-bipy)]2+ corners generating a three-dimensional network of unprecedented topological type","Chemical Communications","2001","","13","1198","","10.1039/b103736f","","","0.71073","MoKα","","0.179","0.0982","","0.3268","0.245","","","","1.097","","","","","","","has coordinates","176453","2020-10-21","18:00:00","" "7114679","11.457","0.005","40.814","0.017","14.502","0.006","90","","111.424","0.009","90","","6313","5","293","2","293","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C45 H43 B3 Cl3 Cu2 F12 N8 O2.5 -","- C45 H38 B3 Cl3 Cu2 F12 N8 O3.5 -","- C180 H152 B12 Cl12 Cu8 F48 N32 O14 -","4","0.5","","Carlucci, Lucia; Ciani, Gianfranco; Proserpio, Davide M.; Rizzato, Silvia","Interlinked molecular squares with [Cu(2,2′-bipy)]2+ corners generating a three-dimensional network of unprecedented topological type","Chemical Communications","2001","","13","1198","","10.1039/b103736f","","","0.71073","MoKα","","0.1194","0.0851","","0.279","0.2436","","","","1.073","","","","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00","" "7114680","15.5947","0.0008","10.317","0.0005","18.4572","0.0009","90","","90","","90","","2969.6","0.3","173","2","173","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C28 H37 Mo N5 Si2 -","- C28 H37 Mo N5 Si2 -","- C112 H148 Mo4 N20 Si8 -","4","1","","Cameron, Thomas M.; Abboud, Khalil A.; Boncella, James M.","Unusual molybdenum mediated C‒N bond activation","Chemical Communications","2001","","13","1224","","10.1039/b101894i","","","0.71073","MoKα","","0.0247","0.0218","","","0.0517","0.053","","","","","","0.994","","","","has coordinates","180260","2020-10-21","18:00:00","" "7114681","14.4655","0.0008","23.572","0.001","15.9891","0.0009","90","","104.39","0.001","90","","5280.9","0.5","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C43 H63 Cl4 Mo2 N7 Si4 -","- C43 H63 Cl4 Mo2 N7 Si4 -","- C172 H252 Cl16 Mo8 N28 Si16 -","4","1","","Cameron, Thomas M.; Abboud, Khalil A.; Boncella, James M.","Unusual molybdenum mediated C‒N bond activation","Chemical Communications","2001","","13","1224","","10.1039/b101894i","","","0.71073","MoKα","","0.0688","0.0384","","","0.0824","0.093","","","","","","0.99","","","","has coordinates,has disorder","180260","2020-10-21","18:00:00","" "7114682","12.5352","0.0016","13.7485","0.0018","14.456","0.002","73.59","0.004","69.803","0.004","78.316","0.004","2227.6","0.5","112","2","112","2","","","","","","","","6","P -1","-P 1","2","","","","- C47 H80 Cl O P2 Ru -","- C46.5 H73 Cl O P2 Ru -","- C93 H146 Cl2 O2 P4 Ru2 -","2","1","","Coalter III, Joseph N.; Huffman, John C.; Caulton, Kenneth G.","Carbene transposition involving double dehydrogenation of an sp3 carbon","Chemical Communications","2001","","13","1158","","10.1039/b102422c","","","0.71073","MoKα","","","0.0503","","","","0.0648","","","","","","1.2082","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00","" "7114683","12.436","0.003","13.469","0.003","16.105","0.003","90","","102.66","0.03","90","","2632","1","164","2","164","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C27 H30 Cl Ir N2 Si -","- C27 H29 Cl Ir N2 Si -","- C108 H116 Cl4 Ir4 N8 Si4 -","4","1","","Stradiotto, Mark; Fujdala, Kyle L.; Tilley, T. Don","Iridium(iii) complexes of the new tridentate bis(8-quinolyl)silyl (‘NSiN’) ligand","Chemical Communications","2001","","13","1200","","10.1039/b102821a","","","0.71073","MoKα","","0.1212","0.0421","","0.1292","0.076","","","","0.933","1.112","1.112","","","","","has coordinates","180260","2020-10-21","18:00:00","" "7114684","10.117","0.0004","18.08","0.0006","17.9962","0.0004","90","","104.309","0.002","90","","3189.66","0.18","149","2","149","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C37 H31 Cl Ir N2 P Si -","- C37 H30 Cl Ir N2 P Si -","- C148 H120 Cl4 Ir4 N8 P4 Si4 -","4","1","","Stradiotto, Mark; Fujdala, Kyle L.; Tilley, T. Don","Iridium(iii) complexes of the new tridentate bis(8-quinolyl)silyl (‘NSiN’) ligand","Chemical Communications","2001","","13","1200","","10.1039/b102821a","","","0.71073","MoKα","","0.0704","0.0445","","0.1217","0.105","","","","1.053","1.129","1.129","","","","","has coordinates,has disorder","180260","2020-10-21","18:00:00","" "7114685","15.4211","0.0001","15.8544","0.0001","15.9441","0.0002","96.81","0.001","90.787","0.001","91.631","0.001","3868.56","0.06","152","2","152","2","","","","","","","","9","P -1","-P 1","2","","","","- C81 H67 B Cl3 F20 Ir2 N4 O0.5 Si2 -","- C80 H54 B Cl3 F20 Ir2 N4 Si2 -","- C160 H108 B2 Cl6 F40 Ir4 N8 Si4 -","2","1","","Stradiotto, Mark; Fujdala, Kyle L.; Tilley, T. Don","Iridium(iii) complexes of the new tridentate bis(8-quinolyl)silyl (‘NSiN’) ligand","Chemical Communications","2001","","13","1200","","10.1039/b102821a","","","0.71073","MoKα","","0.0628","0.0413","","0.1216","0.1011","","","","0.976","1.081","1.081","","","","","has coordinates","176453","2020-10-21","18:00:00","" "7114686","13.0656","0.0009","14.3786","0.0009","25.8201","0.0017","90","","90","","90","","4850.7","0.6","91","2","91","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","RC60H~2~.2CS~2~, compound 3","","","- C82 H19 N5 S4 -","- C82 H19 N5 S4 -","- C328 H76 N20 S16 -","4","1","","Miller, Glen P.; Tetreau, Mark C.; Olmstead, Marilyn M.; Lord, Pamela A.; Balch, Alan L.","Addition of diprotic nucleophiles to a C60‒tetrazine monoadduct: structural reassignment and correction of a novel rearrangement","Chemical Communications","2001","","18","1758","","10.1039/b104151g","","","0.71073","MoKα","","0.1101","0.0872","","","0.2125","0.2314","","","","","","1.032","","","","has coordinates,has disorder","180260","2020-10-21","18:00:00","" "7114687","14.7338","0.0002","14.1571","0.0003","22.7377","0.0004","90","","107.784","0.001","90","","4516.17","0.14","150","2","150","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C20 H27 B8 P -","- C20 H27 B8 P -","- C160 H216 B64 P8 -","8","2","","Jelínek, Tomáš; Kilner, Colin A.; Thornton-Pett, Mark; Kennedy, John D.; Štíbr, Bohumil; Schanz, Hans-Jörg; Wrackmeyer, Bernd; Holub, Josef; Bakardjiev, Mario; Hnyk, Drahomír; Ormsby, Daniel L.","Monocarbaborane chemistry. Preparation and characterisation of [4-CB8H9]‒, the ‘missing’ closo-carbaborane anion","Chemical Communications","2001","","18","1756","","10.1039/b103408c","","","0.71073","MoKα","","0.0752","0.0549","","","0.1332","0.1491","","","","","","1.028","","","","has coordinates,has disorder","180260","2020-10-21","18:00:00","" "7114688","11.077","0.004","13.608","0.004","19.195","0.003","103","0.03","100.75","0.03","97","0.02","2728.9","1.4","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C48 H59 F6 Mn2 N3 O7 P4 -","- C48 H59 F6 Mn2 N3 O7 P4 -","- C96 H118 F12 Mn4 N6 O14 P8 -","2","1","","Anderson, Kirsty M.; Connelly, Neil G.; Llamas-Rey, Estefania; Orpen, A. Guy; Paul, Rowena L.","Control over directional metal‒metal charge transfer in cyanide-bridged dimanganese complexes: effects of µ-CN linkage isomerism and ancillary ligand set","Chemical Communications","2001","","18","1734","","10.1039/b104998b","","","0.71073","MoKα","","0.0583","0.0486","","","0.123","0.1308","","","","","","1.026","","","","has coordinates,has disorder","180260","2020-10-21","18:00:00","" "7114689","11.0916","0.0015","13.638","0.002","19.076","0.004","102.981","0.002","100.441","0.002","97.525","0.0011","2720.5","0.8","173","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C48 H59 F6 Mn2 N3 O7 P4 -","- C48 H59 F6 Mn2 N3 O7 P4 -","- C96 H118 F12 Mn4 N6 O14 P8 -","2","1","","Anderson, Kirsty M.; Connelly, Neil G.; Llamas-Rey, Estefania; Orpen, A. Guy; Paul, Rowena L.","Control over directional metal‒metal charge transfer in cyanide-bridged dimanganese complexes: effects of µ-CN linkage isomerism and ancillary ligand set","Chemical Communications","2001","","18","1734","","10.1039/b104998b","","","0.71073","MoKα","","0.0911","0.0496","","","0.121","0.1348","","","","","","0.954","","","","has coordinates","180260","2020-10-21","18:00:00","" "7114690","14.984","0.004","14.984","0.004","25.761","0.012","90","","90","","90","","5784","3","296","2","296","2","","","","","","","","6","I 4/m","-I 4","87","","","","- C115 H128 I4 Mn2 O13 P8 -","- C114.32 H104 I3.9456 Mn2 O12.32 P8 -","- C228.64 H208 I7.8912 Mn4 O24.64 P16 -","2","0.125","","Cross, Wendy I.; Godfrey, Stephen M.; McAuliffe, Charles A.; Pritchard, Robin G.","Crystal engineering of microporous ‘Chinese-lantern’ compounds to improve their ability to reversibly adsorb sulfur dioxide","Chemical Communications","2001","","18","1764","","10.1039/b101263k","","","0.71073","MoKα","","0.116","0.0409","","","0.0856","0.0996","","","","","","0.842","","","","has coordinates,has disorder","180260","2020-10-21","18:00:00","" "7114691","14.382","0.003","14.382","0.003","26.076","0.009","90","","90","","90","","5394","2","296","2","296","2","","","","","","","","6","I 4/m","-I 4","87","","","","- C115 H128 Cl4 Mn2 O13 P8 -","- C115 H104 Cl4 Mn2 O13 P8 -","- C230 H208 Cl8 Mn4 O26 P16 -","2","0.125","","Cross, Wendy I.; Godfrey, Stephen M.; McAuliffe, Charles A.; Pritchard, Robin G.","Crystal engineering of microporous ‘Chinese-lantern’ compounds to improve their ability to reversibly adsorb sulfur dioxide","Chemical Communications","2001","","18","1764","","10.1039/b101263k","","","0.71073","MoKα","","0.153","0.0698","","","0.1262","0.1521","","","","","","1.066","","","","has coordinates,has disorder","180260","2020-10-21","18:00:00","" "7114692","14.523","0.004","14.523","0.004","25.874","0.012","90","","90","","90","","5457","3","203","2","203","2","","","","","","","","6","I 4/m","-I 4","87","","","","- C115 H128 Br4 Mn2 O13 P8 -","- C115 H104 Br4 Mn2 O13 P8 -","- C230 H208 Br8 Mn4 O26 P16 -","2","0.125","","Cross, Wendy I.; Godfrey, Stephen M.; McAuliffe, Charles A.; Pritchard, Robin G.","Crystal engineering of microporous ‘Chinese-lantern’ compounds to improve their ability to reversibly adsorb sulfur dioxide","Chemical Communications","2001","","18","1764","","10.1039/b101263k","","","0.71073","MoKα","","0.1488","0.0732","","","0.1361","0.158","","","","","","1.03","","","","has coordinates,has disorder","180260","2020-10-21","18:00:00","" "7114693","15.7334","0.0005","10.8812","0.0004","15.7928","0.0006","90","","110.935","0.0014","90","","2525.22","0.16","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H38 B11 Cl2 N -","- C16 H38 B11 Cl2 N -","- C64 H152 B44 Cl8 N4 -","4","1","","Jelínek, Tomáš; Kilner, Colin A.; Thornton-Pett, Mark; Kennedy, John D.","Monocarbaborane anion chemistry. The elusive C-arylated [PhCB11H11]‒, [PhCB9H9]‒ and [PhCB8H8]‒ anions","Chemical Communications","2001","","18","1790","","10.1039/b105645j","","","0.71073","MoKα","","0.0863","0.0654","","","0.1568","0.1731","","","","","","1.048","","","","has coordinates,has disorder","180260","2020-10-21","18:00:00","" "7114694","24.4404","0.0016","10.5641","0.0006","16.7478","0.0014","90","","99.099","0.003","90","","4269.7","0.5","150","2","150","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C15 H34 B9 N -","- C15 H34 B9 N -","- C120 H272 B72 N8 -","8","1","","Jelínek, Tomáš; Kilner, Colin A.; Thornton-Pett, Mark; Kennedy, John D.","Monocarbaborane anion chemistry. The elusive C-arylated [PhCB11H11]‒, [PhCB9H9]‒ and [PhCB8H8]‒ anions","Chemical Communications","2001","","18","1790","","10.1039/b105645j","","","0.71073","MoKα","","0.1567","0.0826","","","0.179","0.2285","","","","","","1.057","","","","has coordinates,has disorder","180260","2020-10-21","18:00:00","" "7114695","11.648","0.0003","10.5204","0.0003","17.5709","0.0006","90","","107.974","0.001","90","","2048.08","0.11","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C15 H33 B8 N -","- C15 H33 B8 N -","- C60 H132 B32 N4 -","4","1","","Jelínek, Tomáš; Kilner, Colin A.; Thornton-Pett, Mark; Kennedy, John D.","Monocarbaborane anion chemistry. The elusive C-arylated [PhCB11H11]‒, [PhCB9H9]‒ and [PhCB8H8]‒ anions","Chemical Communications","2001","","18","1790","","10.1039/b105645j","","","0.71073","MoKα","","0.0911","0.0548","","","0.1432","0.1703","","","","","","1.027","","","","has coordinates,has disorder","180260","2020-10-21","18:00:00","" "7114696","29.09","0.002","13.2462","0.0009","18.63","0.001","90","","112.506","0.001","90","","6632","0.7","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C70 H90 Cu N8 O6 -","- C70 H90 Cu N8 O6 -","- C280 H360 Cu4 N32 O24 -","4","0.5","","Benisvy, Laurent; Blake, Alexander J.; Davies, E. Stephen; Garner, C. David; McMaster, Jonathan; Wilson, Claire; Collison, David; McInnes, Eric J. L.; Whittaker, Gavin","A phenoxyl radical complex of copper(ii)","Chemical Communications","2001","","18","1824","","10.1039/b105186p","","","0.71073","MoKα","","0.0559","0.0399","","","0.1049","0.1124","","","","","","1.044","","","","has coordinates","211332","2020-10-21","18:00:00","" "7114697","12.6062","0.0007","18.2942","0.001","25.5061","0.0014","90","","96.191","0.001","90","","5847.9","0.6","150","2","150","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C60 H66 B Cl4 Cu F4 N4 O2 -","- C60 H66 B Cl4 Cu F4 N4 O2 -","- C240 H264 B4 Cl16 Cu4 F16 N16 O8 -","4","1","","Benisvy, Laurent; Blake, Alexander J.; Davies, E. Stephen; Garner, C. David; McMaster, Jonathan; Wilson, Claire; Collison, David; McInnes, Eric J. L.; Whittaker, Gavin","A phenoxyl radical complex of copper(ii)","Chemical Communications","2001","","18","1824","","10.1039/b105186p","","","0.71073","MoKα","","0.1253","0.0681","","","0.1592","0.1888","","","","","","1.003","","","","has coordinates,has disorder","211332","2020-10-21","18:00:00","" "7114698","29.4645","0.0008","18.5814","0.0005","31.6479","0.0009","90","","90","","90","","17327","0.8","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C132 H192 N4 Ni24 O50 Pt14 -","- C132 H192 N4 Ni24 O50 Pt14 -","- C528 H768 N16 Ni96 O200 Pt56 -","4","0.5","","Femoni, Cristina; Carmela Iapalucci, M.; Longoni, Giuliano; Svensson, Per H.","New high-nuclearity Ni‒Pt carbonyl clusters: synthesis and X-ray structure of the ordered [Ni24Pt14(CO)44]4‒ and the substitutionally Ni/Pt disordered [Ni10(Ni6‒xPtx)Pt8(CO)30]4‒ (x = 1.92) tetraanions","Chemical Communications","2001","","18","1776","","10.1039/b103610f","","","0.71073","MoKα","","0.1113","0.0487","","","0.1141","0.1246","","","","","","0.852","","","","has coordinates","180260","2020-10-21","18:00:00","" "7114699","26.7155","0.0009","15.2758","0.0005","31.9982","0.0011","90","","98.404","0.001","90","","12918.3","0.8","293","2","193","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C97 H150 N4 Ni14.08 O31 Pt9.92 -","- C97 H150 N4 Ni14.07 O31 Pt9.921 -","- C388 H600 N16 Ni56.28 O124 Pt39.684 -","4","1","","Femoni, Cristina; Carmela Iapalucci, M.; Longoni, Giuliano; Svensson, Per H.","New high-nuclearity Ni‒Pt carbonyl clusters: synthesis and X-ray structure of the ordered [Ni24Pt14(CO)44]4‒ and the substitutionally Ni/Pt disordered [Ni10(Ni6‒xPtx)Pt8(CO)30]4‒ (x = 1.92) tetraanions","Chemical Communications","2001","","18","1776","","10.1039/b103610f","","","0.71073","MoKα","","0.1257","0.0458","","","0.0924","0.1162","","","","","","0.888","","","","has coordinates","180260","2020-10-21","18:00:00","" "7114700","10.389","0.002","11.272","0.002","14.104","0.003","110.21","0.03","96.34","0.03","102.46","0.03","1482.3","0.7","200","2","200","2","","","","","","","","8","P -1","-P 1","2","","","","- C22 H26 Ag2 F16 N6 O P2 S -","- C22 H26 Ag2 F12 N6 O P2 S -","- C44 H52 Ag4 F24 N12 O2 P4 S2 -","2","1","","Garrison, Jered C.; Simons, Richard S.; Kofron, William G.; Tessier, Claire A.; Youngs, Wiley J.","Synthesis and structural characterization of a silver complex of a mixed-donor N-heterocyclic carbene linked cyclophane","Chemical Communications","2001","","18","1780","","10.1039/b105751k","","","0.71073","MoKα","","0.0617","0.0444","","","0.1229","0.1343","","","","","","0.994","","","","has coordinates,has disorder","180261","2020-10-21","18:00:00","" "7114701","16.8826","0.0002","8.6694","0.0002","19.9505","0.0002","90","","93.545","0.002","90","","2914.41","0.08","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","poly[silver(I)-m-1,3-bis(4-pyridyl)propane] perchlorate","","- C13 H14 Ag Cl N2 O4 -","- C13 H14 Ag Cl N2 O4 -","- C104 H112 Ag8 Cl8 N16 O32 -","8","2","","Pan, Long; Woodlock, E. Brice; Wang, Xiaotai; Lam, Kin-Chung; Rheingold, Arnold L.","Novel silver(i)‒organic coordination polymers: conversion of extended structures in the solid state as driven by argentophilic interactions","Chemical Communications","2001","","18","1762","","10.1039/b104074j","","","0.71073","MoKα","","0.0583","0.04","","","0.0775","0.089","","","","","","1.108","","","","has coordinates","180261","2020-10-21","18:00:00","" "7114702","11.0925","0.0002","8.4883","0.0002","17.6297","0.0004","90","","99.0826","0.0006","90","","1639.14","0.06","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","poly[silver(I)-m-1,3-bis(4-pyridyl)propane] hexafluorophosphate","","- C13 H14 Ag F6 N2 P -","- C13 H14 Ag F6 N2 P -","- C52 H56 Ag4 F24 N8 P4 -","4","1","","Pan, Long; Woodlock, E. Brice; Wang, Xiaotai; Lam, Kin-Chung; Rheingold, Arnold L.","Novel silver(i)‒organic coordination polymers: conversion of extended structures in the solid state as driven by argentophilic interactions","Chemical Communications","2001","","18","1762","","10.1039/b104074j","","","0.71073","MoKα","","0.0571","0.0504","","","0.1295","0.1359","","","","","","1.025","","","","has coordinates","180261","2020-10-21","18:00:00","" "7114703","11.2888","0.0001","14.2049","0.0003","20.693","0.0004","90","","104.776","0.001","90","","3208.52","0.1","223","2","223","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C18 H51 B10 Ge2 Ni P2 -","- C18 H51 B10 Ge2 Ni P2 -","- C72 H204 B40 Ge8 Ni4 P8 -","4","1","","Lee, Junghyun; Lee, Chongchan; Kang, Sang Ook; Ko, Jaejung; Lee, Shim Sung","The first 1,3-digermyla-2-nickela-carboranylene and the Ni-catalyzed double germylation of unsaturated organic substrates","Chemical Communications","2001","","18","1730","","10.1039/b105026p","","","0.71073","MoKα","","0.0421","0.0339","","","0.0809","0.0864","","","","","","1.059","","","","has coordinates","180261","2020-10-21","18:00:00","" "7114704","16.6363","0.0009","15.3576","0.0008","18.9404","0.001","90","","90","","90","","4839.2","0.4","298","2","298","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C15 H32 B10 Ge2 O -","- C15 H32 B10 Ge2 O -","- C120 H256 B80 Ge16 O8 -","8","1","","Lee, Junghyun; Lee, Chongchan; Kang, Sang Ook; Ko, Jaejung; Lee, Shim Sung","The first 1,3-digermyla-2-nickela-carboranylene and the Ni-catalyzed double germylation of unsaturated organic substrates","Chemical Communications","2001","","18","1730","","10.1039/b105026p","","","0.71073","MoKα","","0.0911","0.0378","","","0.0781","0.0935","","","","","","0.951","","","","has coordinates","180261","2020-10-21","18:00:00","" "7114705","10.6895","0.0002","13.406","0.0002","13.6885","0.0002","93.628","0.003","93.588","0.003","113.06","0.003","1793.08","0.07","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","Simon Aldridge","","- C19 H5 B F10 Fe O2 -","- C19 H5 B F10 Fe O2 -","- C76 H20 B4 F40 Fe4 O8 -","4","2","","Aldridge, S.; Al-Fawaz, A.; Calder, R. J.; Dickinson, A. A.; Willock, D. J.; Light, M. E.; Hursthouse, M. B.","Perfluoroaryl boryl complexes: synthesis, spectroscopic and structural characterisation of a complex containing the bis(pentafluorophenyl)boryl ligand","Chemical Communications","2001","","18","1846","","10.1039/b106881b","","","0.71073","MoKα","","0.0829","0.0431","","","0.0741","0.0858","","","","","","0.942","","","","has coordinates","180261","2020-10-21","18:00:00","" "7114706","13.693","0.002","13.823","0.002","17.961","0.003","90.469","0.003","105.008","0.003","104.249","0.003","3173.2","0.8","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","6,9-bis(dimethylsulphide)-1,5-bis(6'-nido-decaboranyl)-arachno-decaborane","","- C4 H48 B30 S2 -","- C4 H48 B30 S2 -","- C16 H192 B120 S8 -","4","2","","Bould, Jonathan; Dörfler, Udo; Thornton-Pett, Mark; Kennedy, John D.; Clegg, William; Teat, Simon J.","Triple linking of the decaboranyl cluster. Structure of [(SMe2)2B10H10(B10H13)2] as determined by synchrotron X-ray diffraction analysis","Chemical Communications","2001","","18","1788","","10.1039/b105551h","","","0.6895","","","0.0947","0.0785","","","0.2037","0.2099","","","","","","1.058","","","","has coordinates,has disorder","180261","2020-10-21","18:00:00","" "7114707","10.3838","0.0011","11.9579","0.0013","12.8023","0.0014","85.934","0.002","83.45","0.002","66.85","0.001","1451.5","0.3","163","2","163","2","","","","","","","","5","P -1","-P 1","2","","","","- C27 H54 N3 O3 Sm -","- C27 H54 N3 O3 Sm -","- C54 H108 N6 O6 Sm2 -","2","1","","Evans, William J.; Perotti, Jeremy M.; Doedens, Robert J.; Ziller, Joseph W.","The tetramethylpiperidinyl-1-oxide anion (TMPO‒) as a ligand in lanthanide chemistry: synthesis of the per(TMPO‒) complex [(ONC5H6Me4)2Sm( µ-ONC5H6Me4)]2","Chemical Communications","2001","","22","2326","","10.1039/b106869p","","","0.71073","MoKα","","0.0653","0.0591","","","0.1621","0.1655","","","","","","1.1","","","","has coordinates","180261","2020-10-21","18:00:00","" "7114708","14.595","0.0019","8.3464","0.0011","17.584","0.002","90","","106.306","0.002","90","","2055.8","0.4","163","2","163","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C38 H66 Cl2 N2 O2 Sm2 -","- C38 H66 Cl2 N2 O2 Sm2 -","- C76 H132 Cl4 N4 O4 Sm4 -","2","0.5","","Evans, William J.; Perotti, Jeremy M.; Doedens, Robert J.; Ziller, Joseph W.","The tetramethylpiperidinyl-1-oxide anion (TMPO‒) as a ligand in lanthanide chemistry: synthesis of the per(TMPO‒) complex [(ONC5H6Me4)2Sm( µ-ONC5H6Me4)]2","Chemical Communications","2001","","22","2326","","10.1039/b106869p","","","0.71073","MoKα","","0.072","0.0377","","","0.0711","0.0831","","","","","","1.062","","","","has coordinates","180261","2020-10-21","18:00:00","" "7114709","6.248","0.002","8.035","0.003","11.014","0.004","86.035","0.006","87.889","0.006","82.809","0.005","547","0.3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C8 H20 Cu4 N2 O18 P4 -","- C8 H20 Cu4 N2 O18 P4 -","- C8 H20 Cu4 N2 O18 P4 -","1","0.5","","Yin, Ping; Zheng, Li-Min; Gao, Song; Xin, Xin-Quan","Cu4{CH3C(OH)(PO3 )2}2(C4H4N2)(H2O)4: a novel, three-dimensional copper diphosphonate with metamagnetismElectronic supplementary information (ESI) available: views of structure 1, temperature dependence of ac magnetic susceptibility and field dependence of magnetization of 1. See http://www.rsc.org/suppdata/cc/b1/b106780j/","Chemical Communications","2001","","22","2346","","10.1039/b106780j","","","0.71073","MoKα","","0.055","0.0468","","","0.1211","0.1262","","","","","","1.051","","","","has coordinates","180261","2020-10-21","18:00:00","" "7114710","7.696","0.004","5.627","0.003","18.628","0.002","90","","95.02","0.02","90","","803.6","0.6","296.2","","","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C17 H24 F N O -","- C17 H24 F N O -","- C34 H48 F2 N2 O2 -","2","1","","Nishide, Kiyoharu; Hagimoto, Yuri; Hasegawa, Hiroaki; Shiro, Motoo; Node, Manabu","A novel intramolecular through-space interaction between F and CN: a strategy for the conformational control of an acyclic systemElectronic supplementary information (ESI) available: experimental procedure for the syntheses of syn- and anti-1 and 2, spectroscopic data for all compounds, a procedure for the stereoselective protonation of 2, full crystallographic data of syn- and anti-1 and anti-2. See http://www.rsc.org/suppdata/cc/b1/b107213g/","Chemical Communications","2001","","22","2394","","10.1039/b107213g","","","1.5418","CuKα","","","0.058","","","","0.1923","","","","","","1.597","","","","has coordinates","176453","2020-10-21","18:00:00","" "7114711","7.855","0.002","5.462","0.002","17.607","0.001","90","","100.9","0.01","90","","741.8","0.3","296.2","","","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C16 H22 F N O -","- C16 H22 F N O -","- C32 H44 F2 N2 O2 -","2","1","","Nishide, Kiyoharu; Hagimoto, Yuri; Hasegawa, Hiroaki; Shiro, Motoo; Node, Manabu","A novel intramolecular through-space interaction between F and CN: a strategy for the conformational control of an acyclic systemElectronic supplementary information (ESI) available: experimental procedure for the syntheses of syn- and anti-1 and 2, spectroscopic data for all compounds, a procedure for the stereoselective protonation of 2, full crystallographic data of syn- and anti-1 and anti-2. See http://www.rsc.org/suppdata/cc/b1/b107213g/","Chemical Communications","2001","","22","2394","","10.1039/b107213g","","","1.5418","CuKα","","","0.0309","","","","0.0839","","","","","","1.046","","","","has coordinates","176453","2020-10-21","18:00:00","" "7114712","7.509","0.001","35.774","0.004","5.596","0.001","90","","90","","90","","1503.2","0.4","143.2","","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C16 H22 F N O -","- C16 H22 F N O -","- C64 H88 F4 N4 O4 -","4","1","","Nishide, Kiyoharu; Hagimoto, Yuri; Hasegawa, Hiroaki; Shiro, Motoo; Node, Manabu","A novel intramolecular through-space interaction between F and CN: a strategy for the conformational control of an acyclic systemElectronic supplementary information (ESI) available: experimental procedure for the syntheses of syn- and anti-1 and 2, spectroscopic data for all compounds, a procedure for the stereoselective protonation of 2, full crystallographic data of syn- and anti-1 and anti-2. See http://www.rsc.org/suppdata/cc/b1/b107213g/","Chemical Communications","2001","","22","2394","","10.1039/b107213g","","","0.7107","MoKα","","","0.0427","","","","0.0565","","","","","","1.124","","","","has coordinates","193981","2020-10-21","18:00:00","" "7114713","9.4442","0.0017","15.449","0.003","9.5719","0.0017","90","","93.268","0.003","90","","1394.3","0.4","193","2","193","2","","","","","","","","6","I 1 2/m 1","-I 2y","12","","","","- C16 H40 N4 O52 P8 U10 -","- C16 H40 N4 O52 P8 U10 -","- C16 H40 N4 O52 P8 U10 -","1","0.125","","Danis, Janet A.; Runde, Wolfgang H.; Scott, Brian; Fettinger, James; Eichhorn, Bryan","Hydrothermal synthesis of the first organically templated open-framework uranium phosphate","Chemical Communications","2001","","22","2378","","10.1039/b106916k","","","0.71073","MoKα","","0.0619","0.0429","","","0.107","0.1133","","","","","","1.067","","","","has coordinates","180261","2020-10-21","18:00:00","" "7114714","34.84","0.02","34.84","0.02","24.04","0.03","90","","90","","120","","25271","4","173","2","173","2","","","","","","","","3","R -3 :H","-R 3","148","C-isobutylpyrogallol[4]arene . 4(MeOH)","","","- C48 H72 O16 -","- C44 H44 O12 -","- C792 H792 O216 -","18","1","","Atwood, Jerry L.; Barbour, Leonard J.; Jerga, Agoston","Hydrogen-bonded molecular capsules are stable in polar media","Chemical Communications","2001","","22","2376","","10.1039/b106250f","","","0.71073","MoKα","","0.2604","0.1482","","","0.3622","0.4166","","","","","","0.967","","","","has coordinates","180261","2020-10-21","18:00:00","" "7114715","15.6276","0.0012","17.9774","0.0016","30.189","0.003","90","","90","","90","","8481.4","1.3","173","1","173","1","","","","","","","","5","I m m m","-I 2 2","71","","","","- C66 H136 Bi14 O50 P12 -","- C66 H126 Bi14 O50 P12 -","- C132 H252 Bi28 O100 P24 -","2","0.125","","Mehring, Michael; Schürmann, Markus","The first bismuth phosphonate cluster. X-Ray single crystal structure of [(ButPO3)10(ButPO3H)2Bi14O10·3C6H6·4H2O]","Chemical Communications","2001","","22","2354","","10.1039/b107220j","","","0.71069","MoKα","","0.1722","0.054","","","0.1122","0.1302","","","","","","0.843","","","","has coordinates","180261","2020-10-21","18:00:00","" "7114716","25.464","0.005","19.751","0.004","9.77","0.002","90","","97.72","0.03","90","","4869.2","1.7","293","2","293","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","4,4-bis(4'-biphenyl)-2,5-cyclohexadienone","","","- C32 H27 O2 -","- C32 H27 O2 -","- C256 H216 O16 -","8","1","","Kumar, V. S. Senthil; Nangia, Ashwini","Inclusion adducts of 4,4-bis(4’-biphenylyl)cyclohexa-2,5-dienone: a clay mimic organic host","Chemical Communications","2001","","22","2392","","10.1039/b106598j","","","0.71073","MoKα","","0.2224","0.0522","","","0.1077","0.206","","","","","","1","","","","has coordinates","288183","2023-12-08","14:43:00","" "7114717","25.052","0.005","20.185","0.004","9.7224","0.0019","90","","98.27","0.03","90","","4865.2","1.7","168","2","168","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","4,4-bis(4'-biphenyl)-2,5-cyclohexadienone","","","- C33 H29 O -","- C33 H27 O -","- C264 H216 O8 -","8","1","","Kumar, V. S. Senthil; Nangia, Ashwini","Inclusion adducts of 4,4-bis(4’-biphenylyl)cyclohexa-2,5-dienone: a clay mimic organic host","Chemical Communications","2001","","22","2392","","10.1039/b106598j","","","0.71073","MoKα","","0.1208","0.0675","","","0.1716","0.1825","","","","","","0.89","","","","has coordinates,has disorder","288183","2023-12-08","14:43:00","" "7114718","12.7284","0.0005","14.3145","0.0006","18.7071","0.0007","90.716","0.001","99.624","0.001","110.728","0.001","3133.4","0.2","293","2","293","2","","","","","","","","8","P -1","-P 1","2","","","","- C65 H51 Ag Cl3 In O4 P2 S4 -","- C65 H50 Ag Cl3 In O4 P2 S4 -","- C130 H100 Ag2 Cl6 In2 O8 P4 S8 -","2","1","","Deivaraj, Theivanayagam C.; Park, Jin-Ho; Afzaal, Mohammmad; O′Brien, Paul; Vittal, Jagadese J.","Single-source precursors to ternary silver indium sulfide materials","Chemical Communications","2001","","22","2304","","10.1039/b106923c","","","0.71073","MoKα","","0.0844","0.0481","","","0.0859","0.0962","","","","","","0.897","","","","has coordinates","180261","2020-10-21","18:00:00","" "7114719","31.111","0.004","31.111","0.004","35.999","0.006","90","","90","","90","","34843","9","200","2","200","2","","","","","","","","5","I 4/m m m","-I 4 2","139","","","","- C200 H72 Cu24 O206.4 S4 -","- C200 H72 Cu24 O206.4 S4 -","- C400 H144 Cu48 O412.8 S8 -","2","0.0625","","Abourahma, Heba; Coleman, Anthony W.; Moulton, Brian; Rather, Beth; Shahgaldian, Patrick; Zaworotko, Michael J.","Hydroxylated nanoballs: synthesis, crystal structure, solubility and crystallization on surfaces","Chemical Communications","2001","","22","2380","","10.1039/b106592k","","","0.71073","MoKα","","0.2128","0.1531","","","0.4259","0.4702","","","","","","1.679","","","","has coordinates","176453","2020-10-21","18:00:00","" "7114720","9.009","0.003","9.009","0.003","12.21","0.01","90","","90","","90","","991","0.9","293.2","","293.2","","","","","","","","synthesis","4","P 43 21 2","P 4nw 2abw","96","","","","- C3 H6 Br Se0.5 -","- C3 H6 Br Se0.25 -","- C24 H48 Br8 Se2 -","8","1","","Takada, Hiroya; Metzner, Patrick; Philouze, Christian","First chiral selenium ylides used for asymmetric conversion of aldehydes into epoxides","Chemical Communications","2001","","22","2350","","10.1039/b106063p","","","0.7107","MoKα","","0.0452","0.0452","","0.0358","","0.0358","","","1.077","","","1.077","","","","has coordinates","176453","2020-10-21","18:00:00","" "7114721","6.771","0.002","10.158","0.006","11.635","0.004","73.21","0.002","74.57","0.001","87.8","0.002","737.9","0.5","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H20 Mn3 N10 O10 -","- C24 H20 Mn3 N10 O10 -","- C24 H20 Mn3 N10 O10 -","1","0.5","","Chen, Hong-Ji; Mao, Zong-Wan; Gao, Song; Chen, Xiao-Ming","Ferrimagnetic-like ordering in a unique three-dimensional coordination polymer featuring mixed azide/carboxylate-bridged trinuclear manganese(ii) clusters as subunitsElectronic supplementary information (ESI) available: the theoretical expressions of the intra-/inter-molecular magnetic interactions, two-dimensional view of 1, temperature dependence of ac magnetic susceptibility and field dependence of magnetization at 1.97 K. See http://www.rsc.org/suppdata/cc/b1/b106314f/","Chemical Communications","2001","","22","2320","","10.1039/b106314f","","","0.71073","MoKα","","0.0491","0.0408","","","0.1106","0.1162","","","","","","1.062","","","","has coordinates","180261","2020-10-21","18:00:00","" "7114722","10.2277","0.0002","10.8525","0.0002","13.8201","0.0002","66.9","","73.51","","89.89","","1342.49","0.04","100","","100","","","","","","","","see paper","6","P -1","-P 1","2","","","","- C28 H35 N2 P Pd Si -","- C28 H35 N2 P Pd Si -","- C56 H70 N4 P2 Pd2 Si2 -","2","1","","Fürstner, Alois; Krause, Helga; Lehmann, Christian W.","Preparation, structure and catalytic properties of a binuclear Pd(0) complex with bridging silylene ligands","Chemical Communications","2001","","22","2372","","10.1039/b108132b","","","0.71073","MoKα","","0.0291","0.0261","","","0.069","0.0711","","","","","","1.04","","","","has coordinates","180261","2020-10-21","18:00:00","" "7114723","8.3772","0.0004","15.7976","0.0008","11.6276","0.0006","90","","93.017","0.001","90","","1536.66","0.13","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C13 H20 N2 O2 S Zn -","- C13 H20 N2 O2 S Zn -","- C52 H80 N8 O8 S4 Zn4 -","4","1","","Chang, SeChin; Sommer, Roger D.; Rheingold, Arnold L.; Goldberg, David P.","A model complex of a possible intermediate in the mechanism of action of peptide deformylase: first example of an (N2S)zinc(ii)-formate complex","Chemical Communications","2001","","22","2396","","10.1039/b106865m","","","0.71073","MoKα","","0.0365","0.0284","","","0.08","0.0906","","","","","","0.65","","","","has coordinates","269433","2021-10-01","13:01:19","" "7114724","7.9486","0.0007","15.0809","0.0015","12.1088","0.0012","90","","90.958","0.002","90","","1451.3","0.2","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C13 H22 N2 S Zn -","- C13 H22 N2 S Zn -","- C52 H88 N8 S4 Zn4 -","4","1","","Chang, SeChin; Sommer, Roger D.; Rheingold, Arnold L.; Goldberg, David P.","A model complex of a possible intermediate in the mechanism of action of peptide deformylase: first example of an (N2S)zinc(ii)-formate complex","Chemical Communications","2001","","22","2396","","10.1039/b106865m","","","0.71073","MoKα","","0.039","0.032","","","0.0697","0.0722","","","","","","1.127","","","","has coordinates","269433","2021-10-01","13:01:20","" "7114725","23.941","0.005","26.974","0.005","12.477","0.002","90","","90","","90","","8057","3","293","2","293","2","","","","","","","Crystals were grown by recrystallization from methanol","7","I b a 2","I 2 -2c","45","","","","- C33 H56 Cl2 N6 Ni2 O5 S2 -","- C33 H56 Cl2 N6 Ni2 O5 S2 -","- C264 H448 Cl16 N48 Ni16 O40 S16 -","8","1","","Kersting, Berthold; Steinfeld, Gunther","The effect of N-methylation on the chemical reactivity of binuclear Ni amine-thiophenolate complexes","Chemical Communications","2001","","15","1376","","10.1039/b103050g","","","0.71073","MoKα","","0.1481","0.0587","","0.1764","0.1289","","","","0.954","0.99","0.99","","","","","has coordinates,has disorder","180261","2020-10-21","18:00:00","" "7114726","14.668","0.003","20.14","0.004","22.96","0.005","87.65","0.03","80.96","0.03","69.39","0.03","6269","3","180","2","180","2","","","","","","","Crystals were grown by recrystallization from methanol","8","P -1","-P 1","2","","","","- C63 H88 B Cl N6 Ni2 O S2 -","- C63 H88 B Cl N6 Ni2 O S2 -","- C252 H352 B4 Cl4 N24 Ni8 O4 S8 -","4","2","","Kersting, Berthold; Steinfeld, Gunther","The effect of N-methylation on the chemical reactivity of binuclear Ni amine-thiophenolate complexes","Chemical Communications","2001","","15","1376","","10.1039/b103050g","","","0.71073","MoKα","","0.1617","0.0674","","0.2718","0.1933","","","","0.825","0.909","0.909","","","","","has coordinates,has disorder","180261","2020-10-21","18:00:00","" "7114727","13.734","0.003","14.093","0.003","18.094","0.004","103.24","0.03","97.42","0.03","98.09","0.03","3327.5","1.4","180","2","180","2","","","","","","","Crystals were grown by recrystallization from methanol","7","P -1","-P 1","2","","","","- C63 H89 B N6 Ni2 O2 S2 -","- C63 H83 B N6 Ni2 O2 S2 -","- C126 H166 B2 N12 Ni4 O4 S4 -","2","1","","Kersting, Berthold; Steinfeld, Gunther","The effect of N-methylation on the chemical reactivity of binuclear Ni amine-thiophenolate complexes","Chemical Communications","2001","","15","1376","","10.1039/b103050g","","","0.71073","MoKα","","0.2617","0.0893","","0.3036","0.2381","","","","0.853","1.332","1.332","","","","","has coordinates","180261","2020-10-21","18:00:00","" "7114728","16.946","0.002","7.446","0.0005","15.026","0.003","90","","113.08","0.01","90","","1744.2","0.4","295","2","293","2","","","","","","","","6","P 1 2/c 1","-P 2yc","13","","","","- C16 H9 Cl3 N2 O S2 -","- C16 H9 Cl3 N2 O S2 -","- C64 H36 Cl12 N8 O4 S8 -","4","1","","Jeon, Moon-Kook; Kim, Kyongtae; Park, Yung Ja","Novel synthesis of 1-aryl-3-chloro-3-phenylazetidin-2-one-4-spiro-5′-4′-chloro-5′H-1′,2′,3′-dithiazoles and bis(2-oxo-azetidin-4-yl) trisulfides","Chemical Communications","2001","","15","1412","","10.1039/b103974c","","","0.7107","MoKα","","0.0606","0.0455","","","0.1156","0.1257","","","","","","1.052","","","","has coordinates","180261","2020-10-21","18:00:00","" "7114729","5.8828","0.0001","15.9217","0.0005","16.1883","0.0006","90","","98.955","0.001","90","","1497.78","0.08","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","4,3'-dimethyl-4H,3'H-spiro[benzo[1,4]selenazine-2,2'-benzoselenazol']-3-one","4,3'-dimethyl-4H,3'H-spiro[benzo[1,4]selenazine-2,2'-benzoselenazol']-3-one","","- C16 H14 N2 O Se2 -","- C16 H14 N2 O Se2 -","- C64 H56 N8 O4 Se8 -","4","1","","Časar, Zdenko; Lorcy, Dominique; Bénard-Rocherullé, Patricia; Majcen-Le Maréchal, Alenka","Route towards diselenadiazafulvalenes","Chemical Communications","2001","","15","1336","","10.1039/b101757h","","","0.71073","MoK-alpha","","0.0948","0.0537","","","0.1298","0.1479","","","","","","1.027","","","","has coordinates","198633","2020-10-21","18:00:00","" "7114730","9.359","0.005","15.148","0.002","15.762","0.002","90","","104.56","0.02","90","","2162.8","1.2","296.2","","296.2","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C14 H10 F12 S3 Sb2 -","- C14 H10 F12 S3 Sb2 -","- C56 H40 F48 S12 Sb8 -","4","1","","Cameron, T. Stanley; Decken, Andreas; Fang, Min; Passmore, Jack","Synthesis and characterization of the heteroaromatic MF6− (M = As, Sb) salts of the 1,2,4-trithiolanylium dication [PhCSSC(Ph)S]2+","Chemical Communications","2001","","15","1370","","10.1039/b100001m","","","0.7107","MoKα","","0.0513","0.051","","0.208","","0.202","","","2.91","","","0.99","","","","has coordinates","176453","2020-10-21","18:00:00","" "7114731","9.345","0.004","15.005","0.005","15.745","0.004","90","","104.71","0.03","90","","2135.4","1.3","213","","213","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C14 H10 F12 S3 Sb2 -","- C14 H10 F12 S3 Sb2 -","- C56 H40 F48 S12 Sb8 -","4","1","","Cameron, T. Stanley; Decken, Andreas; Fang, Min; Passmore, Jack","Synthesis and characterization of the heteroaromatic MF6− (M = As, Sb) salts of the 1,2,4-trithiolanylium dication [PhCSSC(Ph)S]2+","Chemical Communications","2001","","15","1370","","10.1039/b100001m","","","0.71069","MoKα","","0.1982","0.0391","","0.1487","0.0946","","","","1.016","1.148","1.148","","","","","has coordinates","180261","2020-10-21","18:00:00","" "7114732","9.1371","0.0009","14.8501","0.0015","15.4273","0.0017","90","","107.747","0.007","90","","1993.7","0.4","293","2","173","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H10 As2 F12 S3 -","- C14 H10 As2 F12 S3 -","- C56 H40 As8 F48 S12 -","4","1","","Cameron, T. Stanley; Decken, Andreas; Fang, Min; Passmore, Jack","Synthesis and characterization of the heteroaromatic MF6− (M = As, Sb) salts of the 1,2,4-trithiolanylium dication [PhCSSC(Ph)S]2+","Chemical Communications","2001","","15","1370","","10.1039/b100001m","","","0.71069","MoKα","","0.1356","0.0757","","","0.1908","0.2136","","","","","","1.036","","","","has coordinates","180261","2020-10-21","18:00:00","" "7114733","12.785","0.008","12.556","0.008","6.947","0.005","90","","99.687","0.012","90","","1099.3","1.3","295","2","295","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","(mu-piperazine-N,N')-(mu-fumarate-O,O')-copper(ii) dihydrated","","- C8 H16 Cu N2 O6 -","- C8 H16 Cu N2 O6 -","- C32 H64 Cu4 N8 O24 -","4","0.5","","Mukherjee, Partha Sarathi; Dalai, Sudipta; Chaudhuri, Nirmalendu Ray; Mostafa, Golam; Lu, Tian-Huey; Zangrando, Ennio; Rogez, Guillaume; Mallah, Talal","A three component fully interlocked 3-D network: crystal structure and magnetic properties","Chemical Communications","2001","","15","1346","","10.1039/b102072m","","","0.71073","MoKα","","0.0457","0.0428","","","0.1081","0.1098","","","","","","1.171","","","","has coordinates","180261","2020-10-21","18:00:00","" "7114734","10.854","0.002","11.864","0.002","29.372","0.004","90","","94.16","0.02","90","","3772.3","1.1","143","2","143","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C25 H46 Cl N2 O5 P2 Si4 W -","- C25 H46 Cl N2 O5 P2 Si4 W -","- C100 H184 Cl4 N8 O20 P8 Si16 W4 -","4","1","","Streubel, Rainer; Schiemann, Udo; Hoffmann, Nils; Jones, Peter G.","Strong evidence for stereoselective 1,3-additions of transient nitrilium phosphane-ylide complexes: synthesis of the first 1-aza-3-phosphabuta-1,3-diene complexes","Chemical Communications","2001","","15","1334","","10.1039/b102250b","","","0.71073","MoKα","","0.0446","0.0331","","","0.0665","0.0724","","","","","","1.054","","","","has coordinates","180261","2020-10-21","18:00:00","" "7114735","11.4","0.002","21.835","0.006","10.935","0.005","90","","90","","90","","2721.9","1.5","298","","298","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C28 H47 N O2 -","- C28 H47 N O2 -","- C112 H188 N4 O8 -","4","1","","Satake, Kyosuke; Tawada, Yuko; Takami, Shizuka; Kimura, Masaru","Photochemical behavior of 2,5-di-tert-butyl-3H-azepine: unexpected formation of a dicyclopenta[b,e]pyridine derivative and a cis,cis-cyclodeca-1,6-diene derivative","Chemical Communications","2001","","15","1382","","10.1039/b101225h","","","0.71073","MoKα","","0.164","0.089","","0.178","","0.178","","","1.149","","","1.15","","","","has coordinates","176453","2020-10-21","18:00:00","" "7114736","21.241","0.002","21.241","0.002","21.241","0.002","90","","90","","90","","9583.5","1.6","293","2","293","2","","","","","","","","7","F 2 3","F 2 2 3","196","","","","- C48 H96 Cl8 Fe5 K4 O24 S4 -","- C48 H96 Cl8 Fe5 K4 O24 S4 -","- C192 H384 Cl32 Fe20 K16 O96 S16 -","4","0.0833333","","Willems, Johannes B.; Köckerling, Martin","Synthesis and structure of an unprecedented high-symmetry [Fe4S4Cl4] cubane-type unit in supramolecular [K4(FeCl4)(C12H24O6)4][Fe4S4Cl4]","Chemical Communications","2001","","15","1380","","10.1039/b103871k","","","0.71073","MoKα","","","0.0645","","","","0.175","","","","","","0.958","","","","has coordinates","190534","2020-10-21","18:00:00","" "7114737","29.33","0.001","29.33","0.001","18.879","0.001","90","","90","","120","","14064.8","1","203","2","203","2","","","","","","","","6","R -3 :H","-R 3","148","","trans-bis(1,3-dimesityl-imidazol-2-ylidine)dichlorodioxouranium(VI)","","- C66 H96 Cl2 N4 O8 U -","- C42 H48 Cl2 N4 O2 U -","- C378 H432 Cl18 N36 O18 U9 -","9","0.5","","Oldham Jr., Warren J.; Oldham, Susan M.; Smith, Wayne H.; Costa, David A.; Scott, Brian L.; Abney, Kent D.","Synthesis and structure of N-heterocyclic carbene complexes of uranyl dichloride","Chemical Communications","2001","","15","1348","","10.1039/b102649f","","","0.71073","MoKα","","0.0848","0.0656","","","0.1311","0.1374","","","","","","1.147","","","","has coordinates","180261","2020-10-21","18:00:00","" "7114738","10.5163","0.0005","17.3511","0.0008","13.6466","0.0006","90","","95.162","0.001","90","","2480","0.2","203","2","203","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","trans-bis(1,3-dimesityl-4,5-dichloro-imidazol-2-ylidine)dichlorodioxouranium(VI)","","- C50 H60 Cl6 N4 O4 U -","- C42 H44 Cl6 N4 O2 U -","- C84 H88 Cl12 N8 O4 U2 -","2","0.5","","Oldham Jr., Warren J.; Oldham, Susan M.; Smith, Wayne H.; Costa, David A.; Scott, Brian L.; Abney, Kent D.","Synthesis and structure of N-heterocyclic carbene complexes of uranyl dichloride","Chemical Communications","2001","","15","1348","","10.1039/b102649f","","","0.71073","MoKα","","0.0732","0.0456","","","0.0855","0.0913","","","","","","1.285","","","","has coordinates","180261","2020-10-21","18:00:00","" "7114739","23.7905","0.0007","8.8535","0.0002","15.5522","0.0004","90","","90","","90","","3275.75","0.15","293","2","293","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C27 H26 Cd3 Cl2 N8 -","- C29 Cd3 Cl2 N6 -","- C116 Cd12 Cl8 N24 -","4","0.5","","Yoshikawa, Hirofumi; Nishikiori, Shin-ichi; Suwinska, Kinga; Luboradzki, Roman; Lipkowski, Janusz","Crystal structure of a polycyano‒polycadmate host clathrate including a charge-transfer complex of methylviologen dication and mesitylene as a guest","Chemical Communications","2001","","15","1398","","10.1039/b102076p","","","0.7107","MoKα","","0.1075","0.0564","","0.1639","0.1133","","","","1.316","1.104","1.104","","","","","has coordinates","180261","2020-10-21","18:00:00","" "7114740","11.5309","0.0004","20.2376","0.0007","28.5051","0.0011","90","","90","","90","","6651.9","0.4","135","2","135","2","","","","","","","","6","P b c m","-P 2c 2b","57","","","","- C70 H52 Cl4 Cu F6 P5 -","- C73 H48 Cl2.89765 Cu F6 P5 -","- C292 H192 Cl11.5906 Cu4 F24 P20 -","4","0.5","","Schmitt, Elbert W.; Huffman, John C.; Zaleski, Jeffrey M.","Thermal reactivities of isostructural d10 metalloenediynes: metal-dependent Bergman cyclization","Chemical Communications","2001","","2","167","","10.1039/b008337m","","","0.71073","MoKα","","","0.0495","","","","0.061","","","","","","1.238","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00","" "7114741","11.495","0.0004","20.2486","0.0007","28.7007","0.0009","90","","90","","90","","6680.3","0.4","113","2","113","2","","","","","","","","6","P b 21 m","P -2 -2b","26","","","","- C68 H54 Ag F6 O3 P5 -","- C68 H48 Ag F6 O2.75 P5 -","- C272 H192 Ag4 F24 O11 P20 -","4","1","","Schmitt, Elbert W.; Huffman, John C.; Zaleski, Jeffrey M.","Thermal reactivities of isostructural d10 metalloenediynes: metal-dependent Bergman cyclization","Chemical Communications","2001","","2","167","","10.1039/b008337m","","","0.71073","MoKα","","","0.0574","","","","0.0737","","","","","","1.4965","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00","" "7114742","17.336","0.001","13.045","0.001","18.06","0.001","90","","100.938","0.005","90","","4010","0.4","153","","153","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C33 H46 Cl2 N6 Ni2 O14 -","- C33 H44 Cl2 N6 Ni2 O13.99 -","- C132 H176 Cl8 N24 Ni8 O55.96 -","4","1","","Yamaguchi, Kazuya; Akagi, Fumio; Suzuki, Shinnichiro; Fujinami, Shuhei; Suzuki, Masatatsu; Shionoya, Mitsuhiko","Hydrolysis of phosphodiester with hydroxo- or carboxylate-bridged dinuclear Ni(ii) and Cu(ii) complexes","Chemical Communications","2001","","4","375","","10.1039/b008994j","","","0.7107","MoKα","","","0.0599","","","0.0957","","","","","1.895","1.895","","","","","has coordinates","176453","2020-10-21","18:00:00","" "7114743","17.577","0.003","17.387","0.002","14.257","0.002","90","","100.63","0.01","90","","4282.3","1.1","153","","153","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C37 H50 Cl2 Cu2 N6 O12 -","- C37 H50 Cl2 Cu2 N6 O12 -","- C148 H200 Cl8 Cu8 N24 O48 -","4","1","","Yamaguchi, Kazuya; Akagi, Fumio; Suzuki, Shinnichiro; Fujinami, Shuhei; Suzuki, Masatatsu; Shionoya, Mitsuhiko","Hydrolysis of phosphodiester with hydroxo- or carboxylate-bridged dinuclear Ni(ii) and Cu(ii) complexes","Chemical Communications","2001","","4","375","","10.1039/b008994j","","","0.7107","MoKα","","","0.0532","","","0.079","","","","","1.575","1.575","","","","","has coordinates","176453","2020-10-21","18:00:00","" "7114744","13.5091","0.0004","20.927","0.001","18.0299","0.0009","90","","96.4758","0.0005","90","","5064.6","0.4","138.2","","138.2","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C46 H59 Cl2 N6 Ni2 O16 P -","- C46 H55 Cl2 N6 Ni2 O16 P -","- C184 H220 Cl8 N24 Ni8 O64 P4 -","4","1","","Yamaguchi, Kazuya; Akagi, Fumio; Suzuki, Shinnichiro; Fujinami, Shuhei; Suzuki, Masatatsu; Shionoya, Mitsuhiko","Hydrolysis of phosphodiester with hydroxo- or carboxylate-bridged dinuclear Ni(ii) and Cu(ii) complexes","Chemical Communications","2001","","4","375","","10.1039/b008994j","","","0.7107","MoK\α","","0.0524","0.0524","","0.0776","","0.0776","","","1.498","","","1.498","","","","has coordinates","176453","2020-10-21","18:00:00","" "7114745","22.941","0.004","36.36","0.004","14.16","0.002","90","","90","","90","","11811","3","288.2","","288.2","","","","","","","","","7","P n m a","-P 2ac 2n","62","","","","- C48 H59.5 Cl2 Cu2 N8.5 O19.5 P -","- C47.5 H45 Cl1.5 Cu2 N8.25 O18 P -","- C380 H360 Cl12 Cu16 N66 O144 P8 -","8","1","","Yamaguchi, Kazuya; Akagi, Fumio; Suzuki, Shinnichiro; Fujinami, Shuhei; Suzuki, Masatatsu; Shionoya, Mitsuhiko","Hydrolysis of phosphodiester with hydroxo- or carboxylate-bridged dinuclear Ni(ii) and Cu(ii) complexes","Chemical Communications","2001","","4","375","","10.1039/b008994j","","","0.7107","MoK\α","","0.1124","0.112","","0.058","","0.058","","","4.255","","","4.26","","","","has coordinates","176453","2020-10-21","18:00:00","" "7114746","5.9922","0.0011","10.766","0.003","11.601","0.002","90","","95.545","0.012","90","","744.9","0.3","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C10 H22 Cl4 N2 Pt -","- C10 H22 Cl4 N2 Pt -","- C20 H44 Cl8 N4 Pt2 -","2","0.5","","Angeloni, Alessandro; Orpen, A. Guy","Control of hydrogen bond network dimensionality in tetrachloroplatinate salts","Chemical Communications","2001","","4","343","","10.1039/b009515j","","","0.71073","MoKα","","0.0216","0.0176","","","0.0461","0.0476","","","","","","1.115","","","","has coordinates","180261","2020-10-21","18:00:00","" "7114747","12.0729","0.0024","8.6976","0.0028","10.151","0.0025","90","","90","","90","","1065.9","0.5","173","2","173","2","","","","","","","","5","C m c a","-C 2ac 2","64","","","","- C4 H12 Cl4 N2 Pt -","- C4 H12 Cl4 N2 Pt -","- C16 H48 Cl16 N8 Pt4 -","4","","","Angeloni, Alessandro; Orpen, A. Guy","Control of hydrogen bond network dimensionality in tetrachloroplatinate salts","Chemical Communications","2001","","4","343","","10.1039/b009515j","","","0.71073","MoKα","","0.0206","0.016","","","0.0384","0.0389","","","","","","0.994","","","","has coordinates","180261","2020-10-21","18:00:00","" "7114748","6.9551","0.0013","8.5188","0.0012","8.9795","0.001","86.462","0.013","73.017","0.009","66.472","0.01","465.61","0.13","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C12 H16 Cl4 N2 O6 Pt -","- C12 H16 Cl4 N2 O6 Pt -","- C12 H16 Cl4 N2 O6 Pt -","1","0.5","","Angeloni, Alessandro; Orpen, A. Guy","Control of hydrogen bond network dimensionality in tetrachloroplatinate salts","Chemical Communications","2001","","4","343","","10.1039/b009515j","","","0.71073","MoKα","","0.019","0.019","","","0.0426","0.0426","","","","","","0.988","","","","has coordinates","180261","2020-10-21","18:00:00","" "7114749","6.8888","0.0013","7.7068","0.0018","8.2032","0.0015","88.779","0.015","72.911","0.019","89.466","0.019","416.19","0.15","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C12 H14 Cl4 N4 O2 Pt -","- C12 H14 Cl4 N4 O2 Pt -","- C12 H14 Cl4 N4 O2 Pt -","1","0.5","","Angeloni, Alessandro; Orpen, A. Guy","Control of hydrogen bond network dimensionality in tetrachloroplatinate salts","Chemical Communications","2001","","4","343","","10.1039/b009515j","","","0.71073","MoKα","","0.0179","0.0179","","","0.0472","0.0472","","","","","","1.049","","","","has coordinates","180261","2020-10-21","18:00:00","" "7114750","10.349","0.002","12.081","0.002","15.099","0.003","91","0.03","103.07","0.03","90.72","0.03","1838.3","0.6","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C19 H16 O3 S3 -","- C19 H16 O3 S3 -","- C76 H64 O12 S12 -","4","2","","Khan, Tahir; Skabara, Peter J.; Coles, Simon J.; Hursthouse, Michael B.","A novel route towards formylated 1,3-dithiole-2-thiones via an unprecedented allylic 1,4-diol rearrangement","Chemical Communications","2001","","4","369","","10.1039/b009550h","","","0.71073","MoKα","","0.0651","0.0412","","","0.0948","0.1038","","","","","","1.021","","","","has coordinates","198632","2020-10-21","18:00:00","" "7114751","12.732","0.003","13.131","0.003","13.04","0.003","90","","96.88","0.03","90","","2164.4","0.9","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C21 H20 O5 S3 -","- C21 H20 O5 S3 -","- C84 H80 O20 S12 -","4","1","","Khan, Tahir; Skabara, Peter J.; Coles, Simon J.; Hursthouse, Michael B.","A novel route towards formylated 1,3-dithiole-2-thiones via an unprecedented allylic 1,4-diol rearrangement","Chemical Communications","2001","","4","369","","10.1039/b009550h","","","0.71073","MoKα","","0.1006","0.0493","","","0.122","0.1432","","","","","","0.991","","","","has coordinates","198632","2020-10-21","18:00:00","" "7114752","11.6091","0.0018","12.899","0.002","15.818","0.003","76.85","0.002","85.771","0.002","77.02","0.002","2247","0.7","113","2","113","2","","","","","","","","5","P -1","-P 1","2","","1,2-bis(5-(4-pyridyl)-2-methyl-3-thienyl)hexafluorocyclopentene","","- C25 H16 F6 N2 S2 -","- C25 H16 F6 N2 S2 -","- C100 H64 F24 N8 S8 -","4","2","","Matsuda, Kenji; Takayama, Kohsuke; Irie, Masahiro","Single-crystalline photochromism of a linear coordination polymer composed of 1,2-bis[2-methyl-5-(4-pyridyl)-3-thienyl]perfluorocyclopentene and bis(hexafluoroacetylacetonato)zinc(ii)","Chemical Communications","2001","","4","363","","10.1039/b009352l","","","0.71073","MoKα","","0.0729","0.0554","","","0.1421","0.1535","","","","","","0.984","","","","has coordinates","180261","2020-10-21","18:00:00","" "7114753","12.3592","0.0009","18.3531","0.0014","17.9411","0.0013","90","","109.478","0.001","90","","3836.7","0.5","116","2","116","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","1,2-bis(5-(4-pyridyl)-2-methyl-3-thienyl)hexafluorocyclopentene bis(hexafluoroacetylacetonato)zinc(II) complex","","- C35 H18 F18 N2 O4 S2 Zn -","- C35 H18 F18 N2 O4 S2 Zn -","- C140 H72 F72 N8 O16 S8 Zn4 -","4","1","","Matsuda, Kenji; Takayama, Kohsuke; Irie, Masahiro","Single-crystalline photochromism of a linear coordination polymer composed of 1,2-bis[2-methyl-5-(4-pyridyl)-3-thienyl]perfluorocyclopentene and bis(hexafluoroacetylacetonato)zinc(ii)","Chemical Communications","2001","","4","363","","10.1039/b009352l","","","0.71073","MoKα","","0.0459","0.0309","","","0.0732","0.0777","","","","","","1.036","","","","has coordinates","180261","2020-10-21","18:00:00","" "7114754","13.2618","0.0003","13.6828","0.0003","22.115","0.0006","96.858","0.002","106.311","0.002","102.906","0.002","3682.3","0.17","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C68 H71 B2 F25 O2 Si4 Zr2 -","- C68 H71 B2 F25 O2 Si4 Zr2 -","- C136 H142 B4 F50 O4 Si8 Zr4 -","2","1","","Woodman, Timothy J.; Bochmann, Manfred; Thornton-Pett, Mark","B(C6F5)3 as a C6F5 transfer reagent in zirconium chemistry: facile formation of the borole-bridged triple-decker complex [Zr2Cp″2(C6F5)2{μ-η5∶η5-C4H4BCH2-η3,κF-CHCHCHB(C6F5)3}]","Chemical Communications","2001","","4","329","","10.1039/b009016f","","","0.71073","MoKα","","0.0974","0.0599","","","0.1232","0.145","","","","","","1.115","","","","has coordinates","180261","2020-10-21","18:00:00","" "7114755","13.107","0.006","8.403","0.002","26.005","0.01","90","","96.37","0.02","90","","2846.5","1.8","193","2","193","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C28 H30 B Fe2 N2 O4 P -","- C28 H30 B Fe2 N2 O4 P -","- C112 H120 B4 Fe8 N8 O16 P4 -","4","1","","Pfeiffer, Matthias; Stey, Thomas; Jehle, Heinrich; Klüpfel, Bernd; Malisch, Wolfgang; Stalke, Dietmar; Chandrasekhar, Vadapalli","Site-selective coordination behaviour of the Py2P—anion: the N‒C‒P-allylic system as σ- and π-donor in [(PMDETA)Cs{(μ-PPy)Py}]2 and as a μ2-σ-phosphorus-donor in [{Cp(CO)2Fe}2{(μ-P)Py2}][BMe4]","Chemical Communications","2001","","4","337","","10.1039/b008662m","","","0.71073","MoKα","","0.0933","0.0508","","","0.0982","0.1125","","","","","","1","","","","has coordinates","180261","2020-10-21","18:00:00","" "7114756","9.356","0.003","10.766","0.003","12.775","0.004","71.29","0.03","72.89","0.03","83.82","0.02","1164.7","0.7","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C19 H31 Cs N5 P -","- C19 H31 Cs N5 P -","- C38 H62 Cs2 N10 P2 -","2","1","","Pfeiffer, Matthias; Stey, Thomas; Jehle, Heinrich; Klüpfel, Bernd; Malisch, Wolfgang; Stalke, Dietmar; Chandrasekhar, Vadapalli","Site-selective coordination behaviour of the Py2P—anion: the N‒C‒P-allylic system as σ- and π-donor in [(PMDETA)Cs{(μ-PPy)Py}]2 and as a μ2-σ-phosphorus-donor in [{Cp(CO)2Fe}2{(μ-P)Py2}][BMe4]","Chemical Communications","2001","","4","337","","10.1039/b008662m","","","0.71073","MoKα","","0.0351","0.0274","","","0.0588","0.0655","","","","","","1.128","","","","has coordinates","180261","2020-10-21","18:00:00","" "7114757","17.2338","0.0017","15.8698","0.0016","18.3355","0.0018","90","","103.07","0.01","90","","4884.8","0.9","293","2","293","2","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C6 H27 Mn N18 O14 S0.5 -","- C6 H20.02 Mn N18 O13.5 S0.5 -","- C48 H160.16 Mn8 N144 O108 S4 -","8","1","","Das, Gopal; Bharadwaj, Parimal K.; Ghosh, Debjani; Chaudhuri, Beauty; Banerjee, Rupendranath","Synthesis and structure of the [MnIV(biguanide)3]4+ ion: the simplest source for water-stable manganese(iv)","Chemical Communications","2001","","4","323","","10.1039/b007013k","","","0.71073","MoKα","","0.1614","0.0943","","","0.2755","0.3235","","","","","","1.166","","","","has coordinates","176453","2020-10-21","18:00:00","" "7114758","5.5284","0.0003","25.006","0.002","27.913","0.002","90","","90","","90","","3858.8","0.5","150.2","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C39 H48 Br2 O10 -","- C39 H48 Br2 O10 -","- C156 H192 Br8 O40 -","4","1","","Oishi, Tohru; Uehara, Hisatoshi; Nagumo, Yoko; Shoji, Mitsuru; Le Brazidec, Jean-Yves; Kosaka, Masashi; Hirama, Masahiro","Practical entry into the HIJKLM ring segment of ciguatoxin CTX3C","Chemical Communications","2001","","4","381","","10.1039/b009506k","","","0.7107","MoKα","","","0.0529","","","","0.1518","","","","","","0.896","","","","has coordinates","176453","2020-10-21","18:00:00","" "7114759","31.066","0.0006","11.1832","0.0002","33.8507","0.0007","90","","100.624","0.0007","90","","11558.7","0.4","150","2","150","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C48 H42 F12 Fe2 N8 O3 P2 -","- C48 H42 F12 Fe2 N8 O3 P2 -","- C384 H336 F96 Fe16 N64 O24 P16 -","8","1","","Ligtenbarg, Alette G. J.; Oosting, Peter; Roelfes, Gerard; Crois, René M. La; Hage, Ronald; Feringa, Ben L.; Lutz, Martin; Spek, Anthony L.","Efficient catalytic oxidation of primary and secondary alcohols using a non-heme dinuclear iron complex","Chemical Communications","2001","","4","385","","10.1039/b009368h","","","0.71073","MoKα","","0.052","0.0416","","","0.1173","0.1224","","","","","","1.049","","","","has coordinates","180261","2020-10-21","18:00:00","" "7114760","6.1366","0.0002","9.1532","0.0005","10.1063","0.0006","65.321","0.0019","81.568","0.003","79.697","0.003","505.85","0.04","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","1,1'-bis(trimethylsilylseleno)ferrocene ?","","- C16 H26 Fe Se2 Si2 -","- C16 H26 Fe Se2 Si2 -","- C16 H26 Fe Se2 Si2 -","1","0.5","","Wallbank, Andrew I.; Corrigan, John F.","1,1′-Bis(trimethylsilylseleno)ferrocene in cluster synthesis: a redox active surface on a copper‒selenide core","Chemical Communications","2001","","4","377","","10.1039/b010023o","","","0.71073","MoKα","","0.0557","0.0432","","","0.102","0.1067","","","","","","1.043","","","","has coordinates","180261","2020-10-21","18:00:00","" "7114761","24.0514","0.0013","15.5641","0.0008","28.0415","0.0015","90","","108.202","0.001","90","","9971.8","0.9","223","2","223","2","","","","","","","","7","P 1 2/n 1","-P 2yac","13","","","","- C100 H100 Cu8 Fe4 O P4 Se8 -","- C100 H92 Cu8 Fe4 O P4 Se8 -","- C400 H368 Cu32 Fe16 O4 P16 Se32 -","4","1","","Wallbank, Andrew I.; Corrigan, John F.","1,1′-Bis(trimethylsilylseleno)ferrocene in cluster synthesis: a redox active surface on a copper‒selenide core","Chemical Communications","2001","","4","377","","10.1039/b010023o","","","0.71073","MoKα","","0.1227","0.0553","","","0.1154","0.1402","","","","","","0.973","","","","has coordinates,has disorder","180261","2020-10-21","18:00:00","" "7114762","13.0347","0.0015","15.6221","0.0017","23.506","0.004","90","","90","","90","","4786.5","1.1","298","2","298","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C21 H24 Gd N4 O10.5 -","- C21 H24 Gd N4 O10.5 -","- C168 H192 Gd8 N32 O84 -","8","1","","Bretonnière, Yann; Mazzanti, Marinella; Pécaut, Jacques; Dunand, Frank A.; Merbach, André E.","A new heptadentate tripodal ligand leading to a gadolinium complex with an improved relaxation efficiency","Chemical Communications","2001","","7","621","","10.1039/b100657f","","","0.71073","MoKα","","0.0424","0.0234","","","0.0496","0.0526","","","","","","0.947","","","","has coordinates","176453","2020-10-21","18:00:00","" "7114763","10.539","0.002","12.189","0.002","13.981","0.003","95.29","0.03","107.38","0.03","90.63","0.03","1705.3","0.6","150","2","293","2","","","","","","","","5","P -1","-P 1","2","Sulfathiazole-N-Formyl piperidine co-crystal","","","- C15 H20 N4 O3 S2 -","- C15 H20 N4 O3 S2 -","- C60 H80 N16 O12 S8 -","4","2","","Bingham, Ann L.; Hughes, David S.; Hursthouse, Michael B.; Lancaster, Robert W.; Tavener, Stewart; Threlfall, Terence L.","Over one hundred solvates of sulfathiazole","Chemical Communications","2001","","7","603","","10.1039/b009540k","","","0.71069","MoKα","","0.0626","0.045","","","0.0955","0.1029","","","","","","1.12","","","","has coordinates","180261","2020-10-21","18:00:00","" "7114764","10.741","0.002","7.592","0.002","16.748","0.003","90","","103.99","0.03","90","","1325.2","0.5","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Sulfathiazole - Acetonitrile Clathrate","","","- C11 H12 N4 O2 S2 -","- C11 H12 N4 O2 S2 -","- C44 H48 N16 O8 S8 -","4","1","","Bingham, Ann L.; Hughes, David S.; Hursthouse, Michael B.; Lancaster, Robert W.; Tavener, Stewart; Threlfall, Terence L.","Over one hundred solvates of sulfathiazole","Chemical Communications","2001","","7","603","","10.1039/b009540k","","","0.71069","MoKα","","0.0765","0.0589","","","0.111","0.115","","","","","","0.907","","","","has coordinates","180261","2020-10-21","18:00:00","" "7114765","8.946","0.001","12.5","0.001","16.35","0.001","90","","90","","90","","1828.3","0.3","213","2","213","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C21 H22 N2 O4 -","- C21 H22 N2 O4 -","- C84 H88 N8 O16 -","4","1","","Bach, Thorsten; Aechtner, Tobias; Neumüller, Bernhard","Intermolecular hydrogen binding of a chiral host and a prochiral imidazolidinone: enantioselective Norrish‒Yang cyclisation in solution","Chemical Communications","2001","","7","607","","10.1039/b100300n","","","1.54178","CuKα","","0.037","0.0343","","","0.0901","0.0925","","","","","","1.053","","","","has coordinates","180261","2020-10-21","18:00:00","" "7114766","10.5816","0.0002","14.8247","0.0002","18.0045","0.0002","112.48","0.0003","97.2565","0.0002","94.2666","0.0002","2565.54","0.07","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C42 H53 Cl8 Cu2 N7 O8 -","- C39 H47 Cl2 Cu2 N7 O8 -","- C78 H94 Cl4 Cu4 N14 O16 -","2","1","","Zhang, Christiana Xin; Liang, Hong-Chang; Kim, Eun-il; Gan, Qing-Fen; Tyeklár, Zoltán; Karlin, Kenneth D.; Lam, Kin-Chung; Rheingold, Arnold L.; Kaderli, Susan; Zuberbühler, Andreas D.","Dioxygen mediated oxo-transfer to an amine and oxidative N-dealkylation chemistry with a dinuclear copper complex","Chemical Communications","2001","","7","631","","10.1039/b009053k","","","0.71073","MoKα","","0.0528","0.0469","","","0.1084","0.112","","","","","","1.013","","","","has coordinates","180261","2020-10-21","18:00:00","" "7114767","36.847","0.0015","34.9365","0.0015","34.8592","0.0015","90","","90","","90","","44874","3","183","2","183","2","","","","","","","","6","C m c a","-C 2ac 2","64","","","","- C30 H365 Fe30 Mo84 O482 P -","- C24 Fe30 Mo84 O437 P -","- C96 Fe120 Mo336 O1748 P4 -","4","","","Müller, Achim; Das, Samar K.; Bögge, Hartmut; Schmidtmann, Marc; Botar, Alexandru; Patrut, Adrian","Generation of cluster capsules (Ih) from decomposition products of a smaller cluster (Keggin-Td) while surviving ones get encapsulated: species with core‒shell topology formed by a fundamental symmetry-driven reaction","Chemical Communications","2001","","7","657","","10.1039/b009518b","","","0.71073","MoKα","","0.1588","0.0731","","","0.169","0.2235","","","","","","1.022","","","","has coordinates","180261","2020-10-21","18:00:00","" "7114768","7.1272","0.0009","9.5407","0.0012","13.1738","0.001","77.273","0.008","79.502","0.009","68.701","0.01","808.95","0.17","133","2","133","2","","","","","","","","5","P -1","-P 1","2","Compound 3a","phenylmethyl 9-chloro-6-oxa-10b-hydropyridino[1,2-a]quinoline-5-carboxylate","","- C21 H14 Cl N O3 -","- C21 H14 Cl N O3 -","- C42 H28 Cl2 N2 O6 -","2","1","","Alonso, Concepción; Olmstead, Marilyn M.; Nantz, Michael H.; Kurth, Mark J.","Competitive intramolecular nucleophilic aromatic substitution: a new route to coumarins","Chemical Communications","2001","","7","639","","10.1039/b009172n","","","1.54178","CuKα","","0.0355","0.0309","","","0.0739","0.0765","","","","","","1.082","","","","has coordinates","180261","2020-10-21","18:00:00","" "7114769","9.945","0.002","14.071","0.003","16.065","0.003","90","","90","","90","","2248.1","0.8","150","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C22 H40 P2 -","- C22 H40 P2 -","- C88 H160 P8 -","4","1","","Jones, Cameron; Platts, Jamie A.; Richards, Anne F.","Synthesis, crystal structure and theoretical studies of the first endo∶endo-2,4-diphosphabicyclo[1.1.0]butane","Chemical Communications","2001","","7","663","","10.1039/b100993l","","","0.71073","MoKα","","0.0466","0.0417","","","0.1223","0.1344","","","","","","1.076","","","","has coordinates","180261","2020-10-21","18:00:00","" "7114770","8.235","0.0004","11.1009","0.0006","23.0091","0.0015","90","","90","","90","","2103.4","0.2","183","2","183","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C24 H27 N3 O2 -","- C24 H27 N3 O2 -","- C96 H108 N12 O8 -","4","1","","Göbel, Angela; Imhof, Wolfgang","One-pot ruthenium catalyzed synthesis of spiro[pyrrolidin-2-one] derivatives by a [2 + 2 + 1] cycloaddition of ketimines, carbon monoxide and ethylene","Chemical Communications","2001","","7","593","","10.1039/b008290m","","","0.71073","MoKα","","0.1423","0.083","","0.1741","0.1507","","","","0.987","1.069","1.069","","","","","has coordinates","180261","2020-10-21","18:00:00","" "7114771","13.2525","0.0008","15.1873","0.0009","19.937","0.001","76.682","0.001","75.167","0.001","65.688","0.001","3499.3","0.3","173.2","","","","","","","","","","","5","P -1","-P 1","2","","","","- C76 H68 N3 O12 Te3 -","- C76 H68 N3 O12 Te3 -","- C152 H136 N6 O24 Te6 -","2","1","","Kobayashi, Kenji; Izawa, Hiroyuki; Furukawa, Naomichi; Yamaguchi, Kentaro; Horn, Ernst","Macrocyclic multi-telluranes with hypervalent Te‒O apical linkages","Chemical Communications","2001","","16","1428","","10.1039/b103676a","","","0.7107","MoKα","","","0.0554","","","","0.082","","","","","","3.437","","","","has coordinates","176453","2020-10-21","18:00:00","" "7114772","18.15","0.002","28.698","0.003","30.804","0.003","86.63","0.002","89.491","0.002","77.613","0.002","15644","3","123.15","","123.15","","","","","","","","in our lab.","4","P -1","-P 1","2","","","","- C84 H79 O10 Te4 -","- C84.015 O10 Te4 -","- C672.12 O80 Te32 -","8","4","","Kobayashi, Kenji; Izawa, Hiroyuki; Furukawa, Naomichi; Yamaguchi, Kentaro; Horn, Ernst","Macrocyclic multi-telluranes with hypervalent Te‒O apical linkages","Chemical Communications","2001","","16","1428","","10.1039/b103676a","","","0.7107","MoKα","","0.0877","0.0877","","0.1337","","0.1337","","","2.574","","","2.574","","","","has coordinates","176453","2020-10-21","18:00:00","" "7114773","8.745","0.002","8.955","0.004","10.636","0.003","94.48","0.04","96.63","0.03","106.11","0.04","789.5","0.5","220","0.2","220","0.2","","","","","","","","6","P -1","-P 1","2","cuipss","","","- C12 H11 Cu I N3 S2 -","- C12 H11 Cu I N3 S2 -","- C24 H22 Cu2 I2 N6 S4 -","2","1","","Blake, Alexander J.; Brooks, Neil R.; Champness, Neil R.; Crew, Marcello; Gregory, Duncan H.; Hubberstey, Peter; Schröder, Martin; Deveson, Anne; Fenske, Dieter; Hanton, Lyall R.","Topological isomerism in coordination polymers","Chemical Communications","2001","","16","1432","","10.1039/b103612m","","","0.71073","MoKα","","0.0479","0.04","","","0.0904","0.0982","","","","","","1.059","","","","has coordinates","180261","2020-10-21","18:00:00","" "7114774","8.425","0.0017","10.318","0.002","10.67","0.002","113.92","0.03","97.23","0.03","92.21","0.03","837","0.4","193","2","193","2","","","","","","","","7","P -1","-P 1","2","(CuI)bpds.CH2CL2","copperiodide bipyridyldisulfide dichloromethane solvate","","- C11 H10 Cl2 Cu I N2 S2 -","- C11 H10 Cl2 Cu I N2 S2 -","- C22 H20 Cl4 Cu2 I2 N4 S4 -","2","1","","Blake, Alexander J.; Brooks, Neil R.; Champness, Neil R.; Crew, Marcello; Gregory, Duncan H.; Hubberstey, Peter; Schröder, Martin; Deveson, Anne; Fenske, Dieter; Hanton, Lyall R.","Topological isomerism in coordination polymers","Chemical Communications","2001","","16","1432","","10.1039/b103612m","","","0.71073","MoKα","","0.0555","0.0541","","","0.1483","0.1496","","","","","","1.063","","","","has coordinates","180261","2020-10-21","18:00:00","" "7114775","19.493","0.004","10.76","0.002","17.334","0.004","90","","90","","90","","3635.7","1.3","193","2","193","2","","","","","","","","6","P c c n","-P 2ab 2ac","56","(CUI)4(bpds)","","","- C11.5 H10.5 Cu2 I2 N2.5 S2 -","- C11.5 H10.5 Cu2 I2 N2.5 S2 -","- C92 H84 Cu16 I16 N20 S16 -","8","1","","Blake, Alexander J.; Brooks, Neil R.; Champness, Neil R.; Crew, Marcello; Gregory, Duncan H.; Hubberstey, Peter; Schröder, Martin; Deveson, Anne; Fenske, Dieter; Hanton, Lyall R.","Topological isomerism in coordination polymers","Chemical Communications","2001","","16","1432","","10.1039/b103612m","","","0.71073","MoKα","","0.039","0.0336","","","0.0916","0.0949","","","","","","1.05","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00","" "7114776","8.878","0.001","10.212","0.001","19.307","0.002","90.249","0.002","103.023","0.002","92.796","0.002","1703.2","0.3","150","2","150","2","","","","","","","","6","P -1","-P 1","2","[(Cu4I4)(bpds)2]","bis(4-pyridyl)disulphide bis(copper(I) iodide)","","- C22 H19 Cu4 I4 N5 S4 -","- C22 H16 Cu4 I4 N5 S4 -","- C44 H32 Cu8 I8 N10 S8 -","2","1","","Blake, Alexander J.; Brooks, Neil R.; Champness, Neil R.; Crew, Marcello; Gregory, Duncan H.; Hubberstey, Peter; Schröder, Martin; Deveson, Anne; Fenske, Dieter; Hanton, Lyall R.","Topological isomerism in coordination polymers","Chemical Communications","2001","","16","1432","","10.1039/b103612m","","","0.71073","MoKα","","0.0335","0.0255","","","0.0617","0.0643","","","","","","1.011","","","","has coordinates","211332","2020-10-21","18:00:00","" "7114777","10.4879","0.0002","15.2385","0.0005","19.7575","0.0005","99.008","0.001","95.106","0.002","96.283","0.002","3081.8","0.14","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C87 H69 Ag4 F12 N4 O9 P4 -","- C86.8 H68.8 Ag4 F12 N4 O9.2 P4 -","- C86.8 H68.8 Ag4 F12 N4 O9.2 P4 -","1","0.5","","Brandys, Marie-Claude; Puddephatt, Richard J.","Ring, polymer and network structures in silver(i) complexes with dipyridyl and diphosphine ligands","Chemical Communications","2001","","16","1508","","10.1039/b104857k","","","0.71073","MoKα","","0.1236","0.0836","","","0.2891","0.3344","","","","","","1.206","","","","has coordinates,has disorder","180261","2020-10-21","18:00:00","" "7114778","15.079","0.003","17.85","0.004","20.232","0.004","80.72","0.03","86.72","0.03","75.02","0.03","5191","2","200","2","200","2","","","","","","","","7","P -1","-P 1","2","","","","- C90 H80 Ag4 F12 N4 O8 P4 -","- C90 H80 Ag4 F12 N4 O8 P4 -","- C180 H160 Ag8 F24 N8 O16 P8 -","2","1","","Brandys, Marie-Claude; Puddephatt, Richard J.","Ring, polymer and network structures in silver(i) complexes with dipyridyl and diphosphine ligands","Chemical Communications","2001","","16","1508","","10.1039/b104857k","","","0.71073","MoKα","","0.1616","0.1168","","","0.3223","0.3508","","","","","","1.078","","","","has coordinates","180261","2020-10-21","18:00:00","" "7114779","9.7472","0.0019","9.5883","0.0019","15.104","0.003","83.85","0.03","73.8","0.03","62.91","0.03","1206.5","0.6","150","2","150","2","","","","","","","","7","P 1","P 1","1","","","","- C48 H50 Ag2 F6 N2 O6 P2 -","- C48 H50 Ag2 F6 N2 O6 P2 -","- C48 H50 Ag2 F6 N2 O6 P2 -","1","1","","Brandys, Marie-Claude; Puddephatt, Richard J.","Ring, polymer and network structures in silver(i) complexes with dipyridyl and diphosphine ligands","Chemical Communications","2001","","16","1508","","10.1039/b104857k","","","0.71073","MoKα","","0.0795","0.0604","","","0.141","0.1568","","","","","","1.053","","","","has coordinates,has disorder","180261","2020-10-21","18:00:00","" "7114780","31.5201","0.0007","39.6365","0.001","13.9957","0.0004","90","","90","","90","","17485.5","0.8","150","2","150","2","","","","","","","","8","F d d 2","F 2 -2d","43","","","","- C43 H43 Ag Cl2 F3 N2 O3 P2 -","- C43 H43 Ag Cl2 F3 N2 O3 P2 -","- C688 H688 Ag16 Cl32 F48 N32 O48 P32 -","16","1","","Brandys, Marie-Claude; Puddephatt, Richard J.","Ring, polymer and network structures in silver(i) complexes with dipyridyl and diphosphine ligands","Chemical Communications","2001","","16","1508","","10.1039/b104857k","","","0.71073","MoKα","","0.109","0.0699","","","0.1961","0.2324","","","","","","1.038","","","","has coordinates","180261","2020-10-21","18:00:00","" "7114781","25.01","0.003","25.01","0.003","25.01","0.003","90","","90","","90","","15644","3","173","2","173","2","","","","","","","","7","P a -3","-P 2ac 2ab 3","205","","","","- C40 H20 Cl F18 Ir N3 O0 -","- C39.99 H18 Cl F18 Ir N3 -","- C639.84 H288 Cl16 F288 Ir16 N48 -","16","0.666667","","Grushin, Vladimir V.; Herron, Norman; LeCloux, Daniel D.; Marshall, William J.; Petrov, Viacheslav A.; Wang, Ying","New, efficient electroluminescent materials based on organometallic Ir complexes","Chemical Communications","2001","","16","1494","","10.1039/b103490c","","","0.71073","MoKα","","0.0838","0.0356","","","0.0625","0.087","","","","","","1.122","","","","has coordinates","180261","2020-10-21","18:00:00","" "7114782","23.6916","0.001","23.6916","0.001","23.6916","0.001","90","","90","","90","","13297.9","1","173","2","173","2","","","","","","","","5","I a -3","-I 2b 2c 3","206","","","","- C36 H18 F12 Ir N3 -","- C36 H18 F12 Ir N3 -","- C576 H288 F192 Ir16 N48 -","16","0.333333","","Grushin, Vladimir V.; Herron, Norman; LeCloux, Daniel D.; Marshall, William J.; Petrov, Viacheslav A.; Wang, Ying","New, efficient electroluminescent materials based on organometallic Ir complexes","Chemical Communications","2001","","16","1494","","10.1039/b103490c","","","0.71073","MoKα","","0.0404","0.0289","","","0.0714","0.0785","","","","","","1.017","","","","has coordinates","180261","2020-10-21","18:00:00","" "7114783","14.692","0.0019","14.692","0.0019","21.452","0.004","90","","90","","120","","4010.1","1","173","2","173","2","","","","","","","","7","P 3 1 c","P 3 -2c","159","","","","- C28.67 H18 Cl0.67 F6 Ir0.67 N2 O2 -","- C28.6633 H18 Cl0.666667 F6 Ir0.666667 N2 O2 -","- C171.98 H108 Cl4 F36 Ir4 N12 O12 -","6","1","","Grushin, Vladimir V.; Herron, Norman; LeCloux, Daniel D.; Marshall, William J.; Petrov, Viacheslav A.; Wang, Ying","New, efficient electroluminescent materials based on organometallic Ir complexes","Chemical Communications","2001","","16","1494","","10.1039/b103490c","","","0.71073","MoKα","","0.0665","0.0467","","","0.1099","0.1184","","","","","","1.244","","","","has coordinates","180261","2020-10-21","18:00:00","" "7114784","19.1076","0.001","19.1076","0.001","35.876","0.002","90","","90","","90","","13098.3","1.2","293","2","293","2","","","","","","","","5","P 41 21 2","P 4abw 2nw","92","","","","- C36 H36 F12 Ir N3 -","- C36 H18 F12 Ir N3 -","- C576 H288 F192 Ir16 N48 -","16","2","","Grushin, Vladimir V.; Herron, Norman; LeCloux, Daniel D.; Marshall, William J.; Petrov, Viacheslav A.; Wang, Ying","New, efficient electroluminescent materials based on organometallic Ir complexes","Chemical Communications","2001","","16","1494","","10.1039/b103490c","","","0.71073","MoKα","","0.1052","0.0835","","","0.2138","0.2232","","","","","","1.087","","","","has coordinates","180261","2020-10-21","18:00:00","" "7114785","9.4647","0.0004","11.7141","0.0005","12.483","0.0005","101.246","0.001","111.655","0.001","93.904","0.001","1246.64","0.09","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C22 H31 N3 S Si2 W -","- C22 H31 N3 S Si2 W -","- C44 H62 N6 S2 Si4 W2 -","2","1","","Mills, R. C.; Abboud, K. A.; Boncella, J. M.","Carbon‒sulfur bond activation of thiophenes by [W(NPh){o-(Me3SiN)2C6H4}(pyridine)2]","Chemical Communications","2001","","16","1506","","10.1039/b101955b","","","0.71073","MoKα","","0.0305","0.0264","","","0.0647","0.0663","","","","","","1.024","","","","has coordinates,has disorder","180261","2020-10-21","18:00:00","" "7114786","11.922","0.003","8.36","0.002","17.121","0.005","90","","101.42","0.02","90","","1672.6","0.8","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","catena-(mu-azido)(azido)(N-2-pyridinmethylene- (N',N',2,2-tetramethyl-propandiamine))nickel(II)","","- C13 H21 N9 Ni -","- C13 H21 N9 Ni -","- C52 H84 N36 Ni4 -","4","1","","Mukherjee, Partha Sarathi; Dalai, Sudipta; Chaudhuri, Nirmalendu Ray; Zangrando, Ennio; Lloret, Francesc","The first metamagnetic one-dimensional molecular material with nickel(ii) and end-to-end azido bridges","Chemical Communications","2001","","16","1444","","10.1039/b104649g","","","0.71073","MoKα","","0.2108","0.0611","","0.1607","0.1184","","","","0.947","1.122","1.122","","","","","has coordinates","180261","2020-10-21","18:00:00","" "7114787","10.2212","0.0005","11.2266","0.0005","24.0998","0.0015","88.433","0.003","88.391","0.002","63.78","0.003","2479.6","0.2","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C32 H28 Cr N0 O19.5 S16 -","- C32 H28 Cr O19.5 S16 -","- C64 H56 Cr2 O39 S32 -","2","1","","Rashid, Samina; Turner, Scott S.; Day, Peter; Light, Mark E.; Hursthouse, Michael B.; Firth, Steven; Clark, Robin J. H.","The first molecular charge transfer salt containing proton channels","Chemical Communications","2001","","16","1462","","10.1039/b103877j","","","0.71073","MoKα","","0.1901","0.0605","","","0.1222","0.173","","","","","","0.81","","","","has coordinates","176453","2020-10-21","18:00:00","" "7114788","12.2214","0.0009","13.0213","0.001","15.5397","0.0013","85.007","0.009","79.818","0.009","76.218","0.009","2361.3","0.3","200","","","","","","","","","","","6","P 1","P 1","1","","Δ{tris[5,5'-di(N-S-valinatomethyl)2,2'-bipyridyl]dichloro iron(II)} chloride tetra-perchlorate hydrate","","- C66 H123 Cl7 Fe N12 O42 -","- C66 H95 Cl7 Fe N12 O42 -","- C66 H95 Cl7 Fe N12 O42 -","1","1","","Telfer, Shane G.; Williams, Alan F.; Bernardinelli, Gérald","Diastereospecific synthesis of amino-acid substituted 2,2'-bipyridyl complexes","Chemical Communications","2001","","16","1498","","10.1039/b104520m","","","0.71073","MoKα","","","0.039","","","","0.04","","","","","","1.636","","","","has coordinates","176453","2020-10-21","18:00:00","" "7114789","12.607","0.0002","16.9396","0.0002","18.5179","0.0003","99.169","0.001","100.46","0.001","103.546","0.001","3695.49","0.1","293","2","293","2","","","","","","","","8","P -1","-P 1","2","","","","- C57 H96 Ag2 Cl N O5 Si8 Ti2 -","- C57 H96 Ag2 Cl N O5 Si8 Ti2 -","- C114 H192 Ag4 Cl2 N2 O10 Si16 Ti4 -","2","1","","Stein, Thomas; Lang, Heinrich","A cross-shaped Ag5Ti4 molecule based on a [Ag(CN)4]3‒ core","Chemical Communications","2001","","16","1502","","10.1039/b104841b","","","0.71073","MoKα","","0.1603","0.0562","","","0.0881","0.1178","","","","","","0.892","","","","has coordinates","180261","2020-10-21","18:00:00","" "7114790","15.8104","0.0007","13.5732","0.0007","18.9822","0.0005","90","","101.738","0.003","90","","3988.4","0.3","150","1","150","1","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C70 H56 Mn4 N14 O8 Re6 Te8 -","- C70 H56 Mn4 N14 O8 Re6 Te8 -","- C140 H112 Mn8 N28 O16 Re12 Te16 -","2","0.5","","Kim, Youngmee; Park, Seon-Mi; Nam, Wonwoo; Kim, Sung-Jin","Crystal structure of the two-dimensional framework [Mn(salen)]4n[Re6Te8(CN)6]n [salen = N,N′-ethylenebis(salicylideneaminato)]","Chemical Communications","2001","","16","1470","","10.1039/b104276a","","","0.71073","MoKα","","0.0895","0.0552","","","0.1241","0.138","","","","","","1.03","","","","has coordinates","191074","2020-10-21","18:00:00","" "7114791","9.8","0.005","8.684","0.005","7.334","0.004","90","","116.9","0.04","90","","556.6","0.6","193.2","","","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C7 H5 N -","- C7 H5 N -","- C28 H20 N4 -","4","0.5","","Ohkita, Masakazu; Suzuki, Takanori; Tsuji, Takashi; Nakatani, Keitaro","Crystal engineering using very short and linear C(sp)‒H⋯N hydrogen bonds: formation of head-to-tail straight tapes and their assembly into nonlinear optical polar crystals","Chemical Communications","2001","","16","1454","","10.1039/b103689k","","","0.7107","MoKα","","","0.0846","","","","0.1138","","","","","","3.362","","","","has coordinates","176453","2020-10-21","18:00:00","" "7114792","17.491","0.001","7.748","0.001","15.588","0.0009","90","","90","","90","","2112.5","0.3","123.2","","","","","","","","","","","3","F d d 2","F 2 -2d","43","","","","- C15 H9 N -","- C15 H9 N -","- C120 H72 N8 -","8","0.5","","Ohkita, Masakazu; Suzuki, Takanori; Tsuji, Takashi; Nakatani, Keitaro","Crystal engineering using very short and linear C(sp)‒H⋯N hydrogen bonds: formation of head-to-tail straight tapes and their assembly into nonlinear optical polar crystals","Chemical Communications","2001","","16","1454","","10.1039/b103689k","","","0.7107","MoKα","","","0.0544","","","","0.0715","","","","","","2.319","","","","has coordinates","176453","2020-10-21","18:00:00","" "7114793","14.078","0.003","13.889","0.003","24.741","0.005","90","","101.94","0.03","90","","4732.9","1.8","123","2","123","2","","","","","","","","5","P 1 2/n 1","-P 2yac","13","","","","- C90 H90 Ce I3 N30 -","- C90 H80 Ce I3 N30 -","- C180 H160 Ce2 I6 N60 -","2","0.5","","Iveson, Peter B.; Rivière, Christelle; Nierlich, Martine; Thuéry, Pierre; Ephritikhine, Michel; Guillaneux, Denis; Madic, Charles","Selective complexation of uranium(iii) over cerium(iii) by 2,6-bis(5,6-dialkyl-1,2,4-triazin-3-yl)pyridines: 1H NMR and X-ray crystallography studies","Chemical Communications","2001","","16","1512","","10.1039/b103606h","","","0.71073","MoKα","","0.0758","0.0516","","","0.1174","0.1305","","","","","","1.023","","","","has coordinates,has disorder","180261","2020-10-21","18:00:00","" "7114794","13.576","0.0015","19.695","0.002","16.643","0.0016","90","","95.095","0.004","90","","4432.4","0.8","123","2","123","2","","","","","","","","5","P 1 c 1","P -2yc","7","","","","- C84 H108 Ce I3 N24 -","- C87 H93 Ce I3 N21 -","- C174 H186 Ce2 I6 N42 -","2","1","","Iveson, Peter B.; Rivière, Christelle; Nierlich, Martine; Thuéry, Pierre; Ephritikhine, Michel; Guillaneux, Denis; Madic, Charles","Selective complexation of uranium(iii) over cerium(iii) by 2,6-bis(5,6-dialkyl-1,2,4-triazin-3-yl)pyridines: 1H NMR and X-ray crystallography studies","Chemical Communications","2001","","16","1512","","10.1039/b103606h","","","0.71073","MoKα","","0.2421","0.0927","","","0.1576","0.2196","","","","","","0.975","","","","has coordinates","180261","2020-10-21","18:00:00","" "7114795","13.4305","0.001","16.5088","0.0012","21.1404","0.0015","80.601","0.004","88.755","0.004","83.588","0.005","4595.4","0.6","123","2","123","2","","","","","","","","5","P -1","-P 1","2","","","","- C89 H113 I3 N25 U -","- C93 H46 I3 N21 U -","- C186 H92 I6 N42 U2 -","2","1","","Iveson, Peter B.; Rivière, Christelle; Nierlich, Martine; Thuéry, Pierre; Ephritikhine, Michel; Guillaneux, Denis; Madic, Charles","Selective complexation of uranium(iii) over cerium(iii) by 2,6-bis(5,6-dialkyl-1,2,4-triazin-3-yl)pyridines: 1H NMR and X-ray crystallography studies","Chemical Communications","2001","","16","1512","","10.1039/b103606h","","","0.71073","MoKα","","0.2153","0.084","","","0.1739","0.2315","","","","","","0.995","","","","has coordinates","180261","2020-10-21","18:00:00","" "7114796","10.745","0.0013","9.4727","0.0011","14.1176","0.0016","90","","91.324","0.002","90","","1436.6","0.3","193","2","193","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C10 H9 Fe2 N O5 S2 -","- C10 H9 Fe2 N O5 S2 -","- C40 H36 Fe8 N4 O20 S8 -","4","1","","Lawrence, Joshua D.; Li, Hongxiang; Rauchfuss, Thomas B.","Beyond Fe-only hydrogenases: N-functionalized 2-aza-1,3-dithiolates Fe2[(SCH2)2NR](CO)x (x = 5, 6)","Chemical Communications","2001","","16","1482","","10.1039/b104195a","","","0.71073","MoKα","","0.0973","0.0384","","","0.0548","0.0639","","","","","","0.904","","","","has coordinates,has disorder","180261","2020-10-21","18:00:00","" "7114797","17.341","0.011","10.489","0.007","18.338","0.012","90","","110.02","0.012","90","","3134","4","193","2","193","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C10 H11 Fe2 N O5 S3 -","- C10 H11 Fe2 N O5 S3 -","- C80 H88 Fe16 N8 O40 S24 -","8","2","","Lawrence, Joshua D.; Li, Hongxiang; Rauchfuss, Thomas B.","Beyond Fe-only hydrogenases: N-functionalized 2-aza-1,3-dithiolates Fe2[(SCH2)2NR](CO)x (x = 5, 6)","Chemical Communications","2001","","16","1482","","10.1039/b104195a","","","0.71073","MoKα","","0.0548","0.0322","","","0.0709","0.0961","","","","","","1.185","","","","has coordinates","182257","2020-10-21","18:00:00","" "7114798","18.1461","0.0003","14.8718","0.0001","23.3306","0.0004","90","","92.654","0.001","90","","6289.36","0.16","173","2","173","0.2","","","","","","","","4","P 1 n 1","P -2yac","7","resorcarene","4,6,16,18-Tetrahydroxy-10,12,22,24-tetrakis- (mesitylsulfonyloxy)-2,8,14,20-(tetramethyl-calix[4]arene","","- C138.8 H142.5 O37.35 S8 -","- C138.8 H142.5 O37.35 S8 -","- C277.6 H285 O74.7 S16 -","2","1","","Shivanyuk, Alexander","Folding and dimerization of resorcarene tetrasulfonates","Chemical Communications","2001","","16","1472","","10.1039/b104076f","","","0.71073","MoKα","","0.0965","0.0693","","","0.1721","0.1896","","","","","","1.06","","","","has coordinates","176453","2020-10-21","18:00:00","" "7114799","9.952","0.002","10.753","0.003","12.567","0.003","66.63","0.02","71.183","0.019","63.35","0.02","1086.1","0.5","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C26 H20 O5 W -","- C26 H20 O5 W -","- C52 H40 O10 W2 -","2","1","","Haquette, Pierre; Salmain, Michèle; Marchal, Yann; Marsac, Yoann; Jaouen, Gérard; Cunningham, Desmond; Egan, Darren P.; McArdle, Patrick","The first organo-tungsten pyrylium salt and structural characterization of its pseudobase","Chemical Communications","2001","","16","1504","","10.1039/b104419m","","","0.71069","MoKα","","0.0752","0.0638","","","0.1553","0.1622","","","","","","1.029","","","","has coordinates","180261","2020-10-21","18:00:00","" "7114800","12.6531","0.0011","9.2906","0.0015","25.595","0.003","90","","90","","90","","3008.8","0.7","296","2","296","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","N-phenyl 4 t-butylbenzamide","","","- C17 H19 N O -","- C17 H19 N O -","- C136 H152 N8 O8 -","8","1","","Adams, Harry; Bernad Jr., Pablo L.; Hembury, Guy A.; Hunter, Christopher A.; McCabe, James F.; Eggleston, Drake S.; Haltiwanger, R. Curtis; Livingstone, David J.; D. M. Harris, Kenneth; Kariuki, Benson M.","Substituent effects on aromatic interactions in the solid state","Chemical Communications","2001","","16","1500","","10.1039/b101575n","","","0.71069","MoKα","","0.2241","0.0613","","0.1605","0.1133","","","","0.941","1.041","1.041","","","","","has coordinates","180262","2020-10-21","18:00:00","" "7114801","10.094","0.004","15.829","0.01","10.054","0.006","93.932","0.007","91","0.05","89.18","0.02","1602.2","1.5","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C18 H21 N O -","- C18 H21 N O -","- C72 H84 N4 O4 -","4","2","","Adams, Harry; Bernad Jr., Pablo L.; Hembury, Guy A.; Hunter, Christopher A.; McCabe, James F.; Eggleston, Drake S.; Haltiwanger, R. Curtis; Livingstone, David J.; D. M. Harris, Kenneth; Kariuki, Benson M.","Substituent effects on aromatic interactions in the solid state","Chemical Communications","2001","","16","1500","","10.1039/b101575n","","","0.71069","MoKα","","0.1963","0.0676","","0.1338","0.0962","","","","0.867","1.163","1.163","","","","","has coordinates","180262","2020-10-21","18:00:00","" "7114802","9.7512","0.0014","28.576","0.004","6.0247","0.0007","90","","90","","90","","1678.8","0.4","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","N-2,6 dimethylphenyl 4 t-butylbenzamide","","","- C19 H23 N O -","- C19 H23 N O -","- C76 H92 N4 O4 -","4","1","","Adams, Harry; Bernad Jr., Pablo L.; Hembury, Guy A.; Hunter, Christopher A.; McCabe, James F.; Eggleston, Drake S.; Haltiwanger, R. Curtis; Livingstone, David J.; D. M. Harris, Kenneth; Kariuki, Benson M.","Substituent effects on aromatic interactions in the solid state","Chemical Communications","2001","","16","1500","","10.1039/b101575n","","","0.71069","MoKα","","0.0544","0.0533","","0.1428","0.1419","","","","1.173","1.174","1.174","","","","","has coordinates","180262","2020-10-21","18:00:00","" "7114803","27.4017","0.0006","20.5783","0.0003","9.9928","0.0003","90","","90","","90","","5634.7","0.2","160","2","160","2","","","","","","","","4","P n a 21","P 2c -2n","33","N-2,6 diethylphenyl 4 t-butylbenzamide","","","- C21 H27 N O -","- C21 H27 N O -","- C252 H324 N12 O12 -","12","3","","Adams, Harry; Bernad Jr., Pablo L.; Hembury, Guy A.; Hunter, Christopher A.; McCabe, James F.; Eggleston, Drake S.; Haltiwanger, R. Curtis; Livingstone, David J.; D. M. Harris, Kenneth; Kariuki, Benson M.","Substituent effects on aromatic interactions in the solid state","Chemical Communications","2001","","16","1500","","10.1039/b101575n","","","0.6956","","","0.2102","0.1802","","","0.4246","0.4368","","","","","","1.104","","","","has coordinates","180262","2020-10-21","18:00:00","" "7114804","5.218","0.002","8.412","0.003","13.249","0.006","102.61","0.04","98.64","0.05","92.87","0.03","559","0.4","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C13 H10 N2 O3 -","- C13 H10 N2 O3 -","- C26 H20 N4 O6 -","2","1","","Adams, Harry; Bernad Jr., Pablo L.; Hembury, Guy A.; Hunter, Christopher A.; McCabe, James F.; Eggleston, Drake S.; Haltiwanger, R. Curtis; Livingstone, David J.; D. M. Harris, Kenneth; Kariuki, Benson M.","Substituent effects on aromatic interactions in the solid state","Chemical Communications","2001","","16","1500","","10.1039/b101575n","","","0.71073","MoKα","","0.0838","0.0664","","","0.1922","0.2196","","","","","","1.121","","","","has coordinates","180262","2020-10-21","18:00:00","" "7114805","5.639","0.002","9.699","0.005","25.036","0.008","90","","90","","90","","1369.3","1","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C15 H14 N2 O3 -","- C15 H14 N2 O3 -","- C60 H56 N8 O12 -","4","1","","Adams, Harry; Bernad Jr., Pablo L.; Hembury, Guy A.; Hunter, Christopher A.; McCabe, James F.; Eggleston, Drake S.; Haltiwanger, R. Curtis; Livingstone, David J.; D. M. Harris, Kenneth; Kariuki, Benson M.","Substituent effects on aromatic interactions in the solid state","Chemical Communications","2001","","16","1500","","10.1039/b101575n","","","0.71073","MoKα","","0.0567","0.0555","","0.1372","0.1355","","","","1.087","1.094","1.094","","","","","has coordinates","180262","2020-10-21","18:00:00","" "7114806","8.916","0.005","23.665","0.007","7.924","0.003","90","","107.02","0.03","90","","1598.7","1.2","293","2","293","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C17 H18 N2 O3 -","- C17 H18 N2 O3 -","- C68 H72 N8 O12 -","4","1","","Adams, Harry; Bernad Jr., Pablo L.; Hembury, Guy A.; Hunter, Christopher A.; McCabe, James F.; Eggleston, Drake S.; Haltiwanger, R. Curtis; Livingstone, David J.; D. M. Harris, Kenneth; Kariuki, Benson M.","Substituent effects on aromatic interactions in the solid state","Chemical Communications","2001","","16","1500","","10.1039/b101575n","","","0.71073","MoKα","","0.0451","0.0375","","0.0983","0.0937","","","","1.01","1.061","1.061","","","","","has coordinates","180262","2020-10-21","18:00:00","" "7114807","19.197","0.003","9.7545","0.0015","19.767","0.003","90","","90.374","0.003","90","","3701.4","1","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C19 H22 N2 O3 -","- C19 H22 N2 O3 -","- C152 H176 N16 O24 -","8","2","","Adams, Harry; Bernad Jr., Pablo L.; Hembury, Guy A.; Hunter, Christopher A.; McCabe, James F.; Eggleston, Drake S.; Haltiwanger, R. Curtis; Livingstone, David J.; D. M. Harris, Kenneth; Kariuki, Benson M.","Substituent effects on aromatic interactions in the solid state","Chemical Communications","2001","","16","1500","","10.1039/b101575n","","","0.71073","MoKα","","0.177","0.0731","","","0.156","0.1953","","","","","","0.872","","","","has coordinates","180262","2020-10-21","18:00:00","" "7114808","5.712","0.002","10.575","0.003","12.798","0.005","88.08","0.03","77.96","0.02","85.32","0.03","753.4","0.5","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C17 H18 N2 O3 -","- C17 H18 N2 O3 -","- C34 H36 N4 O6 -","2","1","","Adams, Harry; Bernad Jr., Pablo L.; Hembury, Guy A.; Hunter, Christopher A.; McCabe, James F.; Eggleston, Drake S.; Haltiwanger, R. Curtis; Livingstone, David J.; D. M. Harris, Kenneth; Kariuki, Benson M.","Substituent effects on aromatic interactions in the solid state","Chemical Communications","2001","","16","1500","","10.1039/b101575n","","","0.71073","MoKα","","0.0698","0.0613","","","0.1502","0.1605","","","","","","1.084","","","","has coordinates","180262","2020-10-21","18:00:00","" "7114809","12.782","0.005","14.751","0.006","15.297","0.006","117.47","0.008","92.146","0.008","95.081","0.008","2538.9","1.8","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C18.33 H20.33 Cl0.33 N2 O3 -","- C18.3333 H20.3333 Cl0.333333 N2 O3 -","- C110 H122 Cl2 N12 O18 -","6","3","","Adams, Harry; Bernad Jr., Pablo L.; Hembury, Guy A.; Hunter, Christopher A.; McCabe, James F.; Eggleston, Drake S.; Haltiwanger, R. Curtis; Livingstone, David J.; D. M. Harris, Kenneth; Kariuki, Benson M.","Substituent effects on aromatic interactions in the solid state","Chemical Communications","2001","","16","1500","","10.1039/b101575n","","","0.71073","MoKα","","0.198","0.0661","","","0.1465","0.1951","","","","","","0.722","","","","has coordinates","180262","2020-10-21","18:00:00","" "7114810","10.818","0.004","26.351","0.008","19.81","0.005","90","","90.08","0.03","90","","5647","3","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C19 H22 N2 O3 -","- C19 H22 N2 O3 -","- C228 H264 N24 O36 -","12","3","","Adams, Harry; Bernad Jr., Pablo L.; Hembury, Guy A.; Hunter, Christopher A.; McCabe, James F.; Eggleston, Drake S.; Haltiwanger, R. Curtis; Livingstone, David J.; D. M. Harris, Kenneth; Kariuki, Benson M.","Substituent effects on aromatic interactions in the solid state","Chemical Communications","2001","","16","1500","","10.1039/b101575n","","","0.71073","MoKα","","0.2435","0.1042","","","0.2554","0.3433","","","","","","1.023","","","","has coordinates,has disorder","180262","2020-10-21","18:00:00","" "7114811","10.601","0.002","20.517","0.005","27.623","0.006","90","","94.625","0.004","90","","5988","2","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","4 nitro N-2,6 diethylphenyl 4 t-butylbenzamide","","","- C21 H26 N2 O3 -","- C21 H26 N2 O3 -","- C252 H312 N24 O36 -","12","3","","Adams, Harry; Bernad Jr., Pablo L.; Hembury, Guy A.; Hunter, Christopher A.; McCabe, James F.; Eggleston, Drake S.; Haltiwanger, R. Curtis; Livingstone, David J.; D. M. Harris, Kenneth; Kariuki, Benson M.","Substituent effects on aromatic interactions in the solid state","Chemical Communications","2001","","16","1500","","10.1039/b101575n","","","0.71069","MoKα","","0.1961","0.1184","","","0.309","0.363","","","","","","1.105","","","","has coordinates","180262","2020-10-21","18:00:00","" "7114812","19.54","0.042","10.668","0.032","24.23","0.072","90","","113.77","0.19","90","","4622","2","296","2","296","2","","","","","","","","4","I 1 2/a 1","-I 2ya","15","4 nitro N-2,6 diisopropylphenyl 4 t-butylbenzamide","","","- C23 H30 N2 O3 -","- C23 H30 N2 O3 -","- C184 H240 N16 O24 -","8","1","","Adams, Harry; Bernad Jr., Pablo L.; Hembury, Guy A.; Hunter, Christopher A.; McCabe, James F.; Eggleston, Drake S.; Haltiwanger, R. Curtis; Livingstone, David J.; D. M. Harris, Kenneth; Kariuki, Benson M.","Substituent effects on aromatic interactions in the solid state","Chemical Communications","2001","","16","1500","","10.1039/b101575n","","","0.71069","MoKα","","0.2374","0.2215","","0.5635","0.5464","","","","1.115","1.191","1.191","","","","","has coordinates,has disorder","180262","2020-10-21","18:00:00","" "7114813","15.567","0.007","19.117","0.01","15.266","0.006","90","","97.25","0.03","90","","4507","4","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C23 H33 N3 O -","- C23 H33 N3 O0.9995 -","- C184 H264 N24 O7.996 -","8","1","","Adams, Harry; Bernad Jr., Pablo L.; Hembury, Guy A.; Hunter, Christopher A.; McCabe, James F.; Eggleston, Drake S.; Haltiwanger, R. Curtis; Livingstone, David J.; D. M. Harris, Kenneth; Kariuki, Benson M.","Substituent effects on aromatic interactions in the solid state","Chemical Communications","2001","","16","1500","","10.1039/b101575n","","","0.71073","MoKα","","0.2078","0.0977","","","0.2459","0.3308","","","","","","0.989","","","","has coordinates,has disorder","180262","2020-10-21","18:00:00","" "7114814","9.539","0.002","10.092","0.002","25.4","0.005","90","","99.911","0.004","90","","2408.7","0.8","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","N-4 dimethylamino 2,6 diisopropylphenyl 4 t-butylbenzamide","","","- C25 H36 N2 O -","- C25 H36 N2 O -","- C100 H144 N8 O4 -","4","1","","Adams, Harry; Bernad Jr., Pablo L.; Hembury, Guy A.; Hunter, Christopher A.; McCabe, James F.; Eggleston, Drake S.; Haltiwanger, R. Curtis; Livingstone, David J.; D. M. Harris, Kenneth; Kariuki, Benson M.","Substituent effects on aromatic interactions in the solid state","Chemical Communications","2001","","16","1500","","10.1039/b101575n","","","0.71069","MoKα","","0.1979","0.069","","0.1996","0.1677","","","","0.725","1.156","1.156","","","","","has coordinates","180262","2020-10-21","18:00:00","" "7114815","23.289","0.004","9.9638","0.0015","17.896","0.003","90","","113.02","0.003","90","","3822","1.1","150","2","150","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C21 H28 N2 O -","- C21 H28 N2 O -","- C168 H224 N16 O8 -","8","1","","Adams, Harry; Bernad Jr., Pablo L.; Hembury, Guy A.; Hunter, Christopher A.; McCabe, James F.; Eggleston, Drake S.; Haltiwanger, R. Curtis; Livingstone, David J.; D. M. Harris, Kenneth; Kariuki, Benson M.","Substituent effects on aromatic interactions in the solid state","Chemical Communications","2001","","16","1500","","10.1039/b101575n","","","0.71073","MoKα","","0.1271","0.0705","","","0.1887","0.2167","","","","","","0.95","","","","has coordinates","180262","2020-10-21","18:00:00","" "7114816","13.062","0.005","10.059","0.004","16.675","0.005","90","","112.86","0.02","90","","2018.9","1.3","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","N-4 nitro 2,6 diisopropylphenyl 4 dimethyl aminobenzamide","","","- C21 H27 N3 O3 -","- C21 H27 N3 O3 -","- C84 H108 N12 O12 -","4","1","","Adams, Harry; Bernad Jr., Pablo L.; Hembury, Guy A.; Hunter, Christopher A.; McCabe, James F.; Eggleston, Drake S.; Haltiwanger, R. Curtis; Livingstone, David J.; D. M. Harris, Kenneth; Kariuki, Benson M.","Substituent effects on aromatic interactions in the solid state","Chemical Communications","2001","","16","1500","","10.1039/b101575n","","","0.71073","MoKα","","0.1355","0.0663","","0.2065","0.1607","","","","1.013","1.13","1.13","","","","","has coordinates,has disorder","180262","2020-10-21","18:00:00","" "7114817","7.2337","0.0007","11.0126","0.0013","16.7266","0.0016","104.59","0.003","54.736","0.005","97.602","0.008","1052.7","0.2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","catena-bis(N-isonicotinic acid)nickel(II)-bis(μ-isothiocyanato-N,N',S,S') 1/2(anthracene)","","- C21 H15 N4 Ni O4 S2 -","- C21 H15 N4 Ni O4 S2 -","- C42 H30 N8 Ni2 O8 S4 -","2","1","","Sekiya, Ryo; Nishikiori, Shin-ichi","A preparative strategy for supramolecular inclusion compounds by combination of dimer formation of isonicotinic acid and coordination bonding","Chemical Communications","2001","","24","2612","","10.1039/b108458e","","","0.71069","MoKα","","0.0571","0.0393","","0.1408","0.1151","","","","1.156","","","","","","","has coordinates","180262","2020-10-21","18:00:00","" "7114818","8.9991","0.0008","11.044","0.0006","21.3223","0.0013","101.551","0.002","37.779","0.002","99.392","0.001","1271.89","0.16","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","catena-bis(N-3-(4-pyridyl)acrylic acid)-nicekl(II)-bis (μ-isothiocyanato-N,N',S,S')1/2(pyrene)","","- C26 H19 N4 Ni O4 S2 -","- C26 H19 N4 Ni O4 S2 -","- C52 H38 N8 Ni2 O8 S4 -","2","1","","Sekiya, Ryo; Nishikiori, Shin-ichi","A preparative strategy for supramolecular inclusion compounds by combination of dimer formation of isonicotinic acid and coordination bonding","Chemical Communications","2001","","24","2612","","10.1039/b108458e","","","0.71069","MoKα","","0.0562","0.04","","0.113","0.1052","","","","1.108","","","","","","","has coordinates","180262","2020-10-21","18:00:00","" "7114819","6.9405","0.0002","7.1938","0.0003","8.2566","0.0004","82.237","0.003","66.892","0.003","74.971","0.003","365.94","0.03","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C10 H8 Mn N6 O4 S2 -","- C10 H8 Mn N6 O4 S2 -","- C10 H8 Mn N6 O4 S2 -","1","0.5","","Sun, Hao-Ling; Ma, Bao-Qing; Gao, Song; Su, Gang","Pyrazine dioxide bridged two-dimensional antiferromagnets [M(NCS)2(pzdo)2] (M = Mn, Co; pzdo = pyrazine dioxide)Electronic supplementary information (ESI) available: Fig. S1: two types of coordination mode for pzdo. Fig. S2: perspective view of compound 2 along the [010] direction. See http://www.rsc.org/suppdata/cc/b1/b107334f/","Chemical Communications","2001","","24","2586","","10.1039/b107334f","","","0.71073","MoKα","","0.0482","0.0443","","","0.1209","0.1224","","","","","","1.219","","","","has coordinates","180262","2020-10-21","18:00:00","" "7114820","6.8922","0.0014","7.1528","0.0014","8.1074","0.0016","82.49","0.03","67.26","0.03","74.06","0.03","354.31","0.15","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C10 H8 Co N6 O4 S2 -","- C10 H8 Co N6 O4 S2 -","- C10 H8 Co N6 O4 S2 -","1","0.5","","Sun, Hao-Ling; Ma, Bao-Qing; Gao, Song; Su, Gang","Pyrazine dioxide bridged two-dimensional antiferromagnets [M(NCS)2(pzdo)2] (M = Mn, Co; pzdo = pyrazine dioxide)Electronic supplementary information (ESI) available: Fig. S1: two types of coordination mode for pzdo. Fig. S2: perspective view of compound 2 along the [010] direction. See http://www.rsc.org/suppdata/cc/b1/b107334f/","Chemical Communications","2001","","24","2586","","10.1039/b107334f","","","0.71073","MoKα","","0.0417","0.0306","","","0.0722","0.0763","","","","","","0.999","","","","has coordinates","180262","2020-10-21","18:00:00","" "7114821","14.291","0.003","17.673","0.004","20.181","0.003","97.044","0.015","109.61","0.013","112.31","0.02","4255.2","1.8","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C99.75 H67.5 Cl1.5 F18 O6 -","- C99.75 H67.5 Cl1.5 F18 O6 -","- C199.5 H135 Cl3 F36 O12 -","2","1","","Colquhoun, Howard M.; Arico, Fabio; Williams, David J.","One-step syntheses of very large cage-type molecules from aromatic sub-unitsElectronic supplementary data (ESI) available: analytical and spectroscopic data for compounds 3‒5 and 8. See http://www.rsc.org/suppdata/cc/b1/b108124c/","Chemical Communications","2001","","24","2574","","10.1039/b108124c","","","1.54178","CuKα","","0.1633","0.0773","","0.2196","0.1662","","","","1.056","1.255","1.255","","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00","" "7114822","26.7781","0.0015","15.9648","0.0008","36.4993","0.0019","90","","101.885","0.003","90","","15269.2","1.4","93","2","90","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C174 H206 N8 Ni2 -","- C174 H206 N8 Ni2 -","- C696 H824 N32 Ni8 -","4","1","","Wang, Hong J. H.; Jaquinod, Laurent; Nurco, Daniel J.; Vicente, M. Graça H.; Smith, Kevin M.","β,β′-Fused metallocenoporphyrinsElectronic supplementary information (ESI) available: molecular structure of 10. See http://www.rsc.org/suppdata/cc/b1/b107732e/","Chemical Communications","2001","","24","2646","","10.1039/b107732e","","","0.71073","MoKα","","0.1849","0.0839","","","0.1905","0.2697","","","","","","1.029","","","","has coordinates","180262","2020-10-21","18:00:00","" "7114823","9.3626","0.0005","30.748","0.002","14.5245","0.0008","90","","99.793","0.001","90","","4120.4","0.4","90","2","90","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","Ni(II) 5,10,15,20-tetra-(3,5-di-tert-butylphenyl)ruthenocenoporphyrin","","","- C98 H126 N4 Ni O2 Ru -","- C98 H126 N4 Ni O2 Ru -","- C196 H252 N8 Ni2 O4 Ru2 -","2","0.5","","Wang, Hong J. H.; Jaquinod, Laurent; Nurco, Daniel J.; Vicente, M. Graça H.; Smith, Kevin M.","β,β′-Fused metallocenoporphyrinsElectronic supplementary information (ESI) available: molecular structure of 10. See http://www.rsc.org/suppdata/cc/b1/b107732e/","Chemical Communications","2001","","24","2646","","10.1039/b107732e","","","0.71073","MoKα","","0.1086","0.0773","","","0.1775","0.1929","","","","","","1.094","","","","has coordinates,has disorder","180262","2020-10-21","18:00:00","" "7114824","12.452","0.007","38.72","0.01","7.731","0.004","90","","91.17","0.04","90","","3727","3","295","","295","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C24 H24 Cl4 Fe S16 -","- C24 H24 Cl4 Fe S16 -","- C96 H96 Cl16 Fe4 S64 -","4","1","","Yamada, Jun-ichi; Toita, Takashi; Akutsu, Hiroki; Nakatsuji, Shin’ichi; Nishikawa, Hiroyuki; Ikemoto, Isao; Kikuchi, Koichi","The crystal structure and physical properties of β-(BDA-TTP)2FeCl4 [BDA-TTP = 2,5-bis(1,3-dithian-2-ylidene)-1,3,4,6-tetrathiapentalene]","Chemical Communications","2001","","24","2538","","10.1039/b105264k","","","0.7107","MoK?a","","","0.048","","","","0.036","","","2.289","","","2.29","","","","has coordinates","176453","2020-10-21","18:00:00","" "7114825","9.78","0.003","35.61","0.03","8.843","0.003","90","","92.05","0.03","90","","3078","3","295","","295","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C42 H41 Cl5 Fe S24 -","- C42 H41 Cl5 Fe S24 -","- C84 H82 Cl10 Fe2 S48 -","2","1","","Yamada, Jun-ichi; Toita, Takashi; Akutsu, Hiroki; Nakatsuji, Shin’ichi; Nishikawa, Hiroyuki; Ikemoto, Isao; Kikuchi, Koichi","The crystal structure and physical properties of β-(BDA-TTP)2FeCl4 [BDA-TTP = 2,5-bis(1,3-dithian-2-ylidene)-1,3,4,6-tetrathiapentalene]","Chemical Communications","2001","","24","2538","","10.1039/b105264k","","","0.7107","MoK?a","","","0.064","","","","0.046","","","5.196","","","5.2","","","","has coordinates","176453","2020-10-21","18:00:00","" "7114826","23.858","0.001","12.1098","0.0003","19.5279","0.0007","90","","90.027","0.001","90","","5641.9","0.3","298.2","","","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C64 H66 Mo O4 P4 Si -","- C64 H64 Mo O4 P4 Si -","- C256 H256 Mo4 O16 P16 Si4 -","4","1","","Minato, Makoto; Zhou, Da-Yang; Sumiura, Ken-ichiro; Hirabayashi, Ryo; Yamaguchi, Yoshitaka; Ito, Takashi","Reactions of quadruply chelated silyl‒ and germyl‒molybdenum hydrido complexes with carboxylic acids and carbon dioxide: a first example of carbon dioxide fixation utilizing the trans effect of a silyl ligand","Chemical Communications","2001","","24","2654","","10.1039/b107837m","","","0.7107","MoKα","","","0.051","","","0.0799","","","","","","","1.416","","","","has coordinates","176453","2020-10-21","18:00:00","" "7114827","9.35","0.0004","7.4689","0.0003","9.4289","0.0004","90","","116.134","0.001","90","","591.14","0.04","293","2","566","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C2 H7 Cd0.5 Cl N O2.5 S0.5 -","- C2 H7 Cd0.5 Cl N O2.5 S0.5 -","- C8 H28 Cd2 Cl4 N4 O10 S2 -","4","2","","Choudhury, Amitava; Krishnamoorthy, Jayaraman; Rao, C. N. R.","An approach to the synthesis of organically templated open-framework metal sulfates by the amine‒sulfate route","Chemical Communications","2001","","24","2610","","10.1039/b107820h","","","0.71073","MoKα","","0.0219","0.0215","","0.0543","0.0541","","","","1.058","1.071","1.071","","","","","has coordinates","176453","2020-10-21","18:00:00","" "7114828","12.578","0.002","13.093","0.004","13.006","0.003","90","","94.58","0.02","90","","2135","0.9","293","2","293","2","","","","","","","","7","P 1 21/m 1","-P 2yb","11","","","","- C8 H15 Cd1.5 Cl5 N4 O6 S -","- C8 H15 Cd1.5 Cl5 N4 O6.01 S -","- C32 H60 Cd6 Cl20 N16 O24.04 S4 -","4","1","","Choudhury, Amitava; Krishnamoorthy, Jayaraman; Rao, C. N. R.","An approach to the synthesis of organically templated open-framework metal sulfates by the amine‒sulfate route","Chemical Communications","2001","","24","2610","","10.1039/b107820h","","","0.71073","MoKα","","0.0582","0.0376","","0.0946","0.0864","","","","1.053","1.111","1.111","","","","","has coordinates","176453","2020-10-21","18:00:00","" "7114829","23.132","0.002","18.932","0.002","29.492","0.004","90","","102.163","0.003","90","","12626","2","190","2","190","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C37.25 H33.5 Cl0.5 Co -","- C37.25 H33.5 Cl0.5 Co -","- C596 H536 Cl8 Co16 -","16","2","","Laskoski, Matthew; Morton, Jason G. M.; Smith, Mark D.; Bunz, Uwe H. F.","A solution-phase route to a tetraethynylated (cyclobutadiene)cyclopentadienylcobalt complex with a para-(1,3,2,4)-substitution patternElectronic supplementary information (ESI) available: experimental, including details of preparation and spectroscopic characterization of all new compounds. See http://www.rsc.org/suppdata/cc/b1/b109848a/","Chemical Communications","2001","","24","2590","","10.1039/b109848a","","","0.71073","MoKα","","0.1344","0.0699","","","0.1379","0.1616","","","","","","1.009","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00","" "7114830","12.5115","0.0003","8.2107","0.0002","16.9607","0.0004","90","","103.003","0.001","90","","1697.67","0.07","150","2","150","2","","","","","","","synthesis as described","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H26 Fe Si -","- C18 H26 Fe Si -","- C72 H104 Fe4 Si4 -","4","1","","Hascall, Tony; Drewitt, Mark J.; O′Hare, Dermot","Silicon-bridged bis(cyclohexadienyl) iron complexes: the first structurally characterised [14]ferrocenophaneElectronic supplementary information (ESI) available: experimental details and NMR spectroscopic data. See http://www.rsc.org/suppdata/cc/b1/b107874g/","Chemical Communications","2001","","24","2600","","10.1039/b107874g","","x-ray","0.71073","MoKα","","0.0361","0.0302","","","0.0795","0.0833","","","","","","1.043","","","","has coordinates","180262","2020-10-21","18:00:00","" "7114831","9.597","0.001","15.977","0.001","11.106","0.001","90","","105.185","0.001","90","","1643.4","0.2","150","2","150","2","","","","","","","synthesis as described","4","P 1 21/n 1","-P 2yn","14","","","","- C36 H52 Fe2 Si2 -","- C36 H52 Fe2 Si2 -","- C72 H104 Fe4 Si4 -","2","0.5","","Hascall, Tony; Drewitt, Mark J.; O′Hare, Dermot","Silicon-bridged bis(cyclohexadienyl) iron complexes: the first structurally characterised [14]ferrocenophaneElectronic supplementary information (ESI) available: experimental details and NMR spectroscopic data. See http://www.rsc.org/suppdata/cc/b1/b107874g/","Chemical Communications","2001","","24","2600","","10.1039/b107874g","","x-ray","0.71073","MoKα","","0.0409","0.0355","","","0.0858","0.0883","","","","","","1.11","","","","has coordinates","180262","2020-10-21","18:00:00","" "7114832","19.243","0.001","19.243","0.001","9.649","0.001","90","","90","","90","","3573","0.5","150","2","150","2","","","","","","","synthesis as described","4","P 4/n :2","-P 4a","85","","","","- C72 H104 Fe4 Si4 -","- C72 H104 Fe4 Si4 -","- C144 H208 Fe8 Si8 -","2","0.25","","Hascall, Tony; Drewitt, Mark J.; O′Hare, Dermot","Silicon-bridged bis(cyclohexadienyl) iron complexes: the first structurally characterised [14]ferrocenophaneElectronic supplementary information (ESI) available: experimental details and NMR spectroscopic data. See http://www.rsc.org/suppdata/cc/b1/b107874g/","Chemical Communications","2001","","24","2600","","10.1039/b107874g","","x-ray","0.71073","MoKα","","0.06","0.0355","","","0.0787","0.0872","","","","","","1.024","","","","has coordinates","176432","2020-10-21","18:00:00","" "7114833","11.483","0.002","16.512","0.003","13.051","0.003","90","","94.82","0.03","90","","2465.8","0.8","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C36 H79 Cl3 N16 O14 -","- C36 H79 Cl3 N16 O14 -","- C72 H158 Cl6 N32 O28 -","2","1","","Bing-guang, Zhang; Hong, Mo; Chun-ying, Duan; Cheng, He; Qing-jin, Meng; Zhe-ming, Wang; Chun-hua, Yan","Novel highly symmetrical cube-shaped cation with 16-nitrogen donors","Chemical Communications","2001","","24","2652","","10.1039/b109206p","","","0.71073","MoKα","","0.131","0.0735","","","0.1759","0.1902","","","","","","1.059","","","","has coordinates,has disorder","180262","2020-10-21","18:00:00","" "7114834","23.443","0.005","24.577","0.005","21.329","0.004","90","","115.8","0.03","90","","11064","5","293","2","293","2","","","","","","","","9","P 1 21/c 1","-P 2ybc","14","","","","- C48 H50 B3 Cl Cu2 F12 Fe2 N12 O -","- C48 H48 B3 Cl Cu2 F12 Fe2 N12 O -","- C384 H384 B24 Cl8 Cu16 F96 Fe16 N96 O8 -","8","2","","Chen-jie, Fang; Chun-ying, Duan; Dong, Guo; Cheng, He; Qing-jin, Meng; Zhe-ming, Wang; Chun-hua, Yan","Self-assembly of a chloro-bridged helical coordination polymer achieved from a ferrocenyl-containing double-helicate","Chemical Communications","2001","","24","2540","","10.1039/b108206j","","","0.71073","MoKα","","0.1516","0.0704","","","0.142","0.1807","","","","","","1.014","","","","has coordinates,has disorder","180262","2020-10-21","18:00:00","" "7114835","11.17","0.004","11.157","0.004","16.055","0.006","71.02","0.02","81.38","0.02","69.97","0.02","1775.9","1.2","293","2","293","2","","","","","","","","8","P -1","-P 1","2","","","","- C27 H34 B2 Cl2 F8 O6 Pd S4 -","- C27 H34 B2 Cl2 F8 O6 Pd S4 -","- C54 H68 B4 Cl4 F16 O12 Pd2 S8 -","2","1","","Richtzenhain, Heiko; Blake, Alexander J.; Bruce, Duncan W.; Fallis, Ian A.; Li, Wan-Sheung; Schröder, Martin","Metal-mediated formation of liquid crystals: synthesis, structural and thermal analysis of palladium(ii) complexes of crown thioether derivativesElectronic supplementary information (ESI) available: Figs. 1‒3 with full captions, Fig. 4: view of the packing of [Pd(7)][BF4]2. Fig. 5: schematic of undulating layers in [Pd(7)][BF4]2. See http://www.rsc.org/suppdata/cc/b1/b107027b/","Chemical Communications","2001","","24","2580","","10.1039/b107027b","","","0.71073","MoKa","","0.108","0.0719","","0.204","0.172","","","","1.027","1.068","1.068","","","","","has coordinates,has disorder","180262","2020-10-21","18:00:00","" "7114836","7.797","0.005","10.526","0.007","12.798","0.006","102.55","0.05","101.22","0.09","91.6","0.04","1002.9","1.1","150","2","150","2","","","","","","","","8","P -1","-P 1","2","Pd(II)14S4-ANISATE, 2BF-4","","","- C32 H41 B2 F8 N3 O6 Pd S4 -","- C32 H41 B2 F8 N3 O6 Pd S4 -","- C32 H41 B2 F8 N3 O6 Pd S4 -","1","0.5","","Richtzenhain, Heiko; Blake, Alexander J.; Bruce, Duncan W.; Fallis, Ian A.; Li, Wan-Sheung; Schröder, Martin","Metal-mediated formation of liquid crystals: synthesis, structural and thermal analysis of palladium(ii) complexes of crown thioether derivativesElectronic supplementary information (ESI) available: Figs. 1‒3 with full captions, Fig. 4: view of the packing of [Pd(7)][BF4]2. Fig. 5: schematic of undulating layers in [Pd(7)][BF4]2. See http://www.rsc.org/suppdata/cc/b1/b107027b/","Chemical Communications","2001","","24","2580","","10.1039/b107027b","","","0.71073","MoKα","","0.122","0.0438","","","0.0796","0.101","","","","","","0.488","","","","has coordinates,has disorder","180262","2020-10-21","18:00:00","" "7114837","12.832","0.005","10.224","0.007","13.609","0.007","90","0.05","107.72","0.03","90","0.05","1700.7","1.6","150","2","150","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","[16]aneS4-bisanisate-Pd(II)","","","- C28 H36 B2 F8 O6 Pd S4 -","- C28 H36 B2 F7.988 O6 Pd S4 -","- C56 H72 B4 F15.976 O12 Pd2 S8 -","2","0.5","","Richtzenhain, Heiko; Blake, Alexander J.; Bruce, Duncan W.; Fallis, Ian A.; Li, Wan-Sheung; Schröder, Martin","Metal-mediated formation of liquid crystals: synthesis, structural and thermal analysis of palladium(ii) complexes of crown thioether derivativesElectronic supplementary information (ESI) available: Figs. 1‒3 with full captions, Fig. 4: view of the packing of [Pd(7)][BF4]2. Fig. 5: schematic of undulating layers in [Pd(7)][BF4]2. See http://www.rsc.org/suppdata/cc/b1/b107027b/","Chemical Communications","2001","","24","2580","","10.1039/b107027b","","","0.71073","MoKα","","0.0761","0.043","","0.0922","0.0797","","","","1.034","1.084","1.084","","","","","has coordinates,has disorder","180262","2020-10-21","18:00:00","" "7114838","15.4817","0.0006","15.4817","0.0006","7.0107","0.0004","90","","90","","120","","1455.22","0.12","294","2","294","2","","","","","","","","6","P 63","P 6c","173","2,4,6-tris-(4-chlorophenoxy)-1,3,5-triazine, triiodobenzene clathrate","","","- C27 H15 Cl3 I3 N3 O3 -","- C27 H15 Cl3 I3 N3 O3 -","- C54 H30 Cl6 I6 N6 O6 -","2","0.333333","","Jetti, Ram K. R.; Nangia, Ashwini; Xue, Feng; Mak, Thomas C. W.","Polar host‒guest assembly mediated by halogen‥π interaction: inclusion complexes of 2,4,6-tris(4-halophenoxy)-1,3,5-triazine (halo = chloro, bromo) with trihalobenzene (halo = bromo, iodo)","Chemical Communications","2001","","10","919","","10.1039/b102150h","","","0.71073","MoKα","","0.0305","0.0249","","","0.0616","0.0635","","","","","","1.038","","","","has coordinates","180262","2020-10-21","18:00:00","" "7114839","15.442","0.0013","15.442","0.0013","6.9909","0.0007","90","","90","","120","","1443.7","0.2","294","2","294","2","","","","","","","","5","P 63","P 6c","173","2,4,6-tris-(4-bromophenoxy)-1,3,5-triazine, tribromobenzene clathrate","","","- C27 H15 Br6 N3 O3 -","- C27 H15 Br6 N3 O3 -","- C54 H30 Br12 N6 O6 -","2","0.333333","","Jetti, Ram K. R.; Nangia, Ashwini; Xue, Feng; Mak, Thomas C. W.","Polar host‒guest assembly mediated by halogen‥π interaction: inclusion complexes of 2,4,6-tris(4-halophenoxy)-1,3,5-triazine (halo = chloro, bromo) with trihalobenzene (halo = bromo, iodo)","Chemical Communications","2001","","10","919","","10.1039/b102150h","","","0.71073","MoKα","","0.0771","0.0706","","","0.1681","0.1732","","","","","","1.105","","","","has coordinates","180262","2020-10-21","18:00:00","" "7114840","15.6268","0.0016","15.6268","0.0016","7.0464","0.001","90","","90","","120","","1490.2","0.3","293","2","293","2","","","","","","","","6","P 63","P 6c","173","2,4,6-tris-(4-bromophenoxy)-1,3,5-triazine, triiodobenzene clathrate","","","- C27 H15 Br3 I3 N3 O3 -","- C27 H15 Br3 I3 N3 O3 -","- C54 H30 Br6 I6 N6 O6 -","2","0.333333","","Jetti, Ram K. R.; Nangia, Ashwini; Xue, Feng; Mak, Thomas C. W.","Polar host‒guest assembly mediated by halogen‥π interaction: inclusion complexes of 2,4,6-tris(4-halophenoxy)-1,3,5-triazine (halo = chloro, bromo) with trihalobenzene (halo = bromo, iodo)","Chemical Communications","2001","","10","919","","10.1039/b102150h","","","0.71073","MoKα","","0.0385","0.027","","","0.0607","0.0649","","","","","","0.993","","","","has coordinates","180262","2020-10-21","18:00:00","" "7114841","28.057","0.004","11.363","0.002","11.3253","0.0017","90","","90","","90","","3610.6","1","293","2","293","2","","","","","","","","5","F d d 2","F 2 -2d","43","","Bis(acetylacetonato)(4-Dimethylamino-pyridine)Zinc(II)","","- C8.5 H12 N O2 Zn0.5 -","- C8.5 H12 N O2 Zn0.5 -","- C136 H192 N16 O32 Zn8 -","16","1","","Anthony, S. Philip; Radhakrishnan, T. P.","Perfectly polar assembly of molecular dipoles in crystals of Zn(ii)(DMAP)(acac)2: a case of self-poling","Chemical Communications","2001","","10","931","","10.1039/b101248g","","","0.71073","MoKα","","0.0309","0.0257","","","0.0626","0.0648","","","","","","1.064","","","","has coordinates","176453","2020-10-21","18:00:00","" "7114842","26.771","0.004","11.608","0.003","30.783","0.006","90","","105.176","0.006","90","","9232","3","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","myo-inositol","1,2,3,4,5-penta-o-benzoyl-6-o-tosyl myo-inositol-dichloromethane","","- C48.25 H38.5 Cl0.5 O13 S -","- C48.25 H38.5 Cl0.5 O13 S -","- C386 H308 Cl4 O104 S8 -","8","1","","Sureshan, Kana M.; Shashidhar, Mysore S.; Gonnade, Rajesh G.; Puranik, Vedavati G.; Bhadbhade, Mohan M.","A highly selective host‒guest system formed and stabilized due to concerted halogen‥oxygen and C-H‥O non-bonded interactions: X-ray structures of racemic 1,2,3,4,5-penta-O-benzoyl-6-O-tosyl myo-inositol‒dihalomethane (CH2X2, X = Cl and Br) inclusion complexes","Chemical Communications","2001","","10","881","","10.1039/b101394g","","","0.71073","MoKα","","0.148","0.0556","","","0.1274","0.1611","","","","","","0.874","","","","has coordinates","176453","2020-10-21","18:00:00","" "7114843","26.9267","0.0017","11.716","0.0008","30.874","0.002","90","","105.998","0.001","90","","9362.7","1.1","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","myo-inositol","1,2,3,4,5-penta-o-benzoyl-6-o-tosyl myo-inositol-dibromomethane","","- C48.5 H39 Br O13 S -","- C48.5 H39 Br O13 S -","- C388 H312 Br8 O104 S8 -","8","1","","Sureshan, Kana M.; Shashidhar, Mysore S.; Gonnade, Rajesh G.; Puranik, Vedavati G.; Bhadbhade, Mohan M.","A highly selective host‒guest system formed and stabilized due to concerted halogen‥oxygen and C-H‥O non-bonded interactions: X-ray structures of racemic 1,2,3,4,5-penta-O-benzoyl-6-O-tosyl myo-inositol‒dihalomethane (CH2X2, X = Cl and Br) inclusion complexes","Chemical Communications","2001","","10","881","","10.1039/b101394g","","","0.71073","MoKα","","0.1014","0.0664","","","0.2172","0.2329","","","","","","1.066","","","","has coordinates","180262","2020-10-21","18:00:00","" "7114844","8.7967","0.0002","17.7865","0.0003","18.0509","0.0004","111.564","0.001","102.924","0.002","99.411","0.001","2464.22","0.1","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C20 H41 B7 Re2 -","- C20 H37 B7 Re2 -","- C80 H148 B28 Re8 -","4","2","","Ghosh, Sundargopal; Rheingold, Arnold L.; Fehlner, Thomas P.","Metallaboranes of the earlier transition metals. An arachno nine-vertex, nine-skeletal electron pair rhenaborane of novel shape: importance of total vertex connectivities in such systems","Chemical Communications","2001","","10","895","","10.1039/b101918j","","","0.71073","MoKα","","0.0627","0.0485","","","0.1372","0.1472","","","","","","1.015","","","","has coordinates","180262","2020-10-21","18:00:00","" "7114845","16.5391","0.0007","12.7151","0.0003","29.6858","0.0012","90","","92.349","0.001","90","","6237.6","0.4","123","1","123","1","","","","","","","","7","P 1 21 1","P 2yb","4","sodium[2.2.2]cryptand cyclotriveratrylene cobalticarborane acetonitrile clathrate","","","- C50 H89.5 B18 Co N2.5 Na O12 -","- C50 H89.5 B18 Co N2.5 Na O12 -","- C200 H358 B72 Co4 N10 Na4 O48 -","4","2","","Hardie, Michaele J.; Raston, Colin L.","Solid state supramolecular assemblies of charged supermolecules (Na[2.2.2]cryptate)+ and anionic carboranes with host cyclotriveratrylene","Chemical Communications","2001","","10","905","","10.1039/b009581h","","","0.71073","MoKα","","0.169","0.127","","","0.2552","0.2787","","","","","","1.061","","","","has coordinates","182221","2020-10-21","18:00:00","" "7114846","13.5449","0.0002","25.384","0.0004","19.4565","0.0004","90","","94.084","0.001","90","","6672.6","0.2","123","2","123","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","sodium[2.2.2]cryptate cyclotriveratrylene carborane chloroform clathrate","","","- C49 H81 B11 Cl9 N2 Na O12 -","- C49 H81 B11 Cl9 N2 Na O12 -","- C196 H324 B44 Cl36 N8 Na4 O48 -","4","1","","Hardie, Michaele J.; Raston, Colin L.","Solid state supramolecular assemblies of charged supermolecules (Na[2.2.2]cryptate)+ and anionic carboranes with host cyclotriveratrylene","Chemical Communications","2001","","10","905","","10.1039/b009581h","","","0.71073","MoKα","","0.1427","0.0603","","","0.1216","0.1514","","","","","","1.031","","","","has coordinates","180262","2020-10-21","18:00:00","" "7114847","31.612","0.007","7.1835","0.0017","21.29","0.005","90","","123.274","0.004","90","","4042","1.6","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","N,N-bis(2-pyridylmethyl)-beta-alanine-oxo-peroxovanadium perchlorate dihydrate","","- C15 H21 Cl N3 O11 V -","- C15 H21 Cl N3 O11 V -","- C120 H168 Cl8 N24 O88 V8 -","8","1","","Časný, Marian; Rehder, Dieter","Towards hydroperoxovanadium complexes: the X-ray crystal structure of a peroxovanadium(v) complex containing a V(O2)(RCO2H)(H2O)2 cluster with hydrogen bond inter-linkages","Chemical Communications","2001","","10","921","","10.1039/b101010g","","","0.71073","MoKα","","0.0553","0.0408","","","0.1005","0.1079","","","","","","0.996","","","","has coordinates","180262","2020-10-21","18:00:00","" "7114848","21.346","0.006","14.4015","0.0013","26.384","0.01","90","","107.869","0.014","90","","7720","4","193","2","193","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C34.5 H55 N3 Si3 Tl2 -","- C34.5 H54 N3 Si3 Tl2 -","- C276 H432 N24 Si24 Tl16 -","8","1","","Galka, Christian H.; Gade, Lutz H.","First structural characterization of a mixed valent thallium(i/iii) amide bearing an n-butylthallium(iii) unit stabilized by a tripodal amido ligand","Chemical Communications","2001","","10","899","","10.1039/b100760m","","","0.71073","MoKα","","0.0693","0.0471","","","0.1108","0.1287","","","","","","1.069","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00","" "7114849","8.721","0.002","8.721","0.002","8.701","0.002","90","","90","","120","","573.1","0.2","123","2","123","2","","","","","","","chemical synthesis","3","P 32 2 1","P 32 2""","154","","Benzene/Dibromine Molecular Complex 1:1","","- C6 H6 Br2 -","- C6 H6 Br2 -","- C18 H18 Br6 -","3","0.5","","Vasilyev, Aleksandr V.; Lindeman, Sergey V.; Kochi, Jay K.","Noncovalent binding of the halogens to aromatic donors. Discrete structures of labile Br2 complexes with benzene and toluene","Chemical Communications","2001","","10","909","","10.1039/b102148f","","","0.71073","MoKα","","0.0759","0.0634","","0.1781","0.1438","","","","1.171","1.18","1.18","","","","","has coordinates","180262","2020-10-21","18:00:00","" "7114850","5.5163","0.0012","11.715","0.002","13.551","0.003","79.761","0.003","80.887","0.003","85.556","0.004","849.8","0.3","123","2","123","2","","","","","","","chemical synthesis","3","P -1","-P 1","2","","Toluene/Dibromine Molecular Complex 1:1","","- C7 H8 Br2 -","- C7 H8 Br2 -","- C28 H32 Br8 -","4","2","","Vasilyev, Aleksandr V.; Lindeman, Sergey V.; Kochi, Jay K.","Noncovalent binding of the halogens to aromatic donors. Discrete structures of labile Br2 complexes with benzene and toluene","Chemical Communications","2001","","10","909","","10.1039/b102148f","","","0.71073","MoKα","","0.0755","0.0385","","0.1018","0.0803","","","","1.037","1.056","1.056","","","","","has coordinates","180262","2020-10-21","18:00:00","" "7114851","11.0736","0.0005","11.0775","0.0005","17.7972","0.0008","85.178","0.001","79.964","0.001","68.271","0.001","1996.53","0.16","90","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C24 H26 Cu2 Mo5 N6 O27 P2 -","- C24 H24 Cu2 Mo5 N6 O27 P2 -","- C48 H48 Cu4 Mo10 N12 O54 P4 -","2","1","","Burkholder, Eric; Zubieta, Jon","Solid state coordination chemistry: construction of 2D networks and 3D frameworks from phosphomolybdate clusters and binuclear Cu(ii) complexes. The syntheses and structures of [{Cu2(tpypyz)(H2O)2}(Mo5 O15)(HOPO3)2]·nH 2O [n = 2, 3; tpypyz = tetra(2-pyridyl)pyrazine]","Chemical Communications","2001","","20","2056","","10.1039/b105563c","","","0.71073","MoKα","","0.031","0.0259","","","0.0668","0.0687","","","","","","1.067","","","","has coordinates","180262","2020-10-21","18:00:00","" "7114852","18.3609","0.0001","16.0705","0.0001","13.4127","0.0009","90","","102.669","0.0001","90","","3861.3","0.3","90","2","293","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C24 H28 Cu2 Mo5 N6 O28 P2 -","- C24 H16 Cu2 Mo5 N6 O28 P2 -","- C96 H64 Cu8 Mo20 N24 O112 P8 -","4","0.5","","Burkholder, Eric; Zubieta, Jon","Solid state coordination chemistry: construction of 2D networks and 3D frameworks from phosphomolybdate clusters and binuclear Cu(ii) complexes. The syntheses and structures of [{Cu2(tpypyz)(H2O)2}(Mo5 O15)(HOPO3)2]·nH 2O [n = 2, 3; tpypyz = tetra(2-pyridyl)pyrazine]","Chemical Communications","2001","","20","2056","","10.1039/b105563c","","","0.71073","MoKα","","0.0475","0.032","","","0.0802","0.0981","","","","","","1.086","","","","has coordinates","180262","2020-10-21","18:00:00","" "7114853","42.0716","0.0014","40.2653","0.0014","26.0734","0.0009","90","","112.019","0.001","90","","40947","2","183","2","183","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C12 H768 Mo138 N32 O736 -","- C12 Mo138 O694 -","- C24 Mo276 O1388 -","2","0.25","","Müller, Achim; Maiti, Rabindranath; Schmidtmann, Marc; Bögge, Hartmut; Das, Samar K.; Zhang, Wenjian","Mimicking oxide surfaces: different types of defects and ligand coordination at well defined positions of a molybdenum oxide based nanocluster","Chemical Communications","2001","","20","2126","","10.1039/b106092a","","","0.71073","MoK","","0.1","0.0551","","0.187","0.1482","","","","1.042","1.072","1.072","","","","","has coordinates","180262","2020-10-21","18:00:00","" "7114854","7.551","0.004","23.367","0.003","5.612","0.005","90","","111.25","0.06","90","","922.9","1","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C10 H11 N O3 -","- C10 H11 N O3 -","- C40 H44 N4 O12 -","4","1","","J. Donohoe, Timothy; Johnson, Peter D.; Helliwell, Madeleine; Keenan, Martine","The regioselective aminohydroxylation of allylic carbamates","Chemical Communications","2001","","20","2078","","10.1039/b107253f","","","0.71069","MoKα","","0.046","0.039","","","0.1067","0.1121","","","","","","1.048","","","","has coordinates","180262","2020-10-21","18:00:00","" "7114855","11.392","0.002","18.274","0.004","18.717","0.004","109.66","0.03","102.65","0.03","105.5","0.03","3324.7","1.8","135","2","135","2","","","","","","","","5","P -1","-P 1","2","(iPr4DBF)Zr2Bn6(Et2O)1.5","","","- C74 H91 N4 O2.5 Zr2 -","- C74 H86 N4 O2.5 Zr2 -","- C148 H172 N8 O5 Zr4 -","2","1","","Hagadorn, John R.","New binucleating ligands to support dizirconium organometallics","Chemical Communications","2001","","20","2144","","10.1039/b106972a","","","0.71073","MoKα","","0.1224","0.0603","","","0.1336","0.1571","","","","","","0.973","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00","" "7114856","17.94","0.004","18.075","0.004","21.577","0.004","90","","105.7","0.03","90","","6736","3","135","2","135","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","(iPr4Xan)Zr2Bn6(Et2O)","","","- C75 H92 N4 O2 Zr2 -","- C75.01 H92 N4 O2 Zr2 -","- C300.04 H368 N16 O8 Zr8 -","4","1","","Hagadorn, John R.","New binucleating ligands to support dizirconium organometallics","Chemical Communications","2001","","20","2144","","10.1039/b106972a","","","0.71073","MoKα","","0.1721","0.0637","","","0.1218","0.1561","","","","","","0.929","","","","has coordinates,has disorder","180262","2020-10-21","18:00:00","" "7114857","10.887","0.002","16.325","0.003","21.427","0.004","90","","96.47","0.03","90","","3784","1.2","135","2","135","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","(iPr4Xan)ZrBn2","","","- C43 H54 N4 O Zr -","- C43 H54 N4 O Zr -","- C172 H216 N16 O4 Zr4 -","4","1","","Hagadorn, John R.","New binucleating ligands to support dizirconium organometallics","Chemical Communications","2001","","20","2144","","10.1039/b106972a","","","0.71073","MoKα","","0.0734","0.0445","","","0.108","0.1176","","","","","","1.008","","","","has coordinates","180262","2020-10-21","18:00:00","" "7114858","8.7419","0.0018","15.71","0.003","13.3","0.0017","90","","90","","90","","1826.6","0.6","295","2","295","2","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- C16 H20 B10 -","- C16 H20 B10 -","- C64 H80 B40 -","4","1","","Jeon, Joonsang; Kitamura, Tsugio; Yoo, Byung-Woo; Kang, Sang Ook; Ko, Jaejung","Synthesis and reactivity of an efficient 1,2-dehydrocarborane precursor, phenyl[o-(trimethylsilyl)carboranyl]iodonium acetate","Chemical Communications","2001","","20","2110","","10.1039/b107343e","","","0.71073","MoKα","","0.1616","0.0842","","","0.1912","0.2401","","","","","","1.044","","","","has coordinates","180262","2020-10-21","18:00:00","" "7114859","7.6927","0.0008","13.5948","0.0014","12.9203","0.0014","90","","100.354","0.002","90","","1329.2","0.2","298","2","298","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C9 H18 B10 -","- C9 H18 B10 -","- C36 H72 B40 -","4","1","","Jeon, Joonsang; Kitamura, Tsugio; Yoo, Byung-Woo; Kang, Sang Ook; Ko, Jaejung","Synthesis and reactivity of an efficient 1,2-dehydrocarborane precursor, phenyl[o-(trimethylsilyl)carboranyl]iodonium acetate","Chemical Communications","2001","","20","2110","","10.1039/b107343e","","","0.71073","MoKα","","0.0939","0.0665","","","0.1804","0.1991","","","","","","1.047","","","","has coordinates","180262","2020-10-21","18:00:00","" "7114860","9.1425","0.0003","9.173","0.0003","14.273","0.001","71.356","0.001","81.229","0.001","69.938","0.001","1064.13","0.09","173","2","173","2","","","","","","","","5","P -1","-P 1","2","none","trans-9,10-dihydroxy-9,10-di-p-tert-butylphenyl-9,10-dihydroanthracene. 2(N,N-dimethylformamide). 2(dimethyl sulfoxide) clathrate","","- C44 H62 N2 O6 S2 -","- C44 H54 N2 O6 S2 -","- C44 H54 N2 O6 S2 -","1","0.5","","Caira, Mino R.; Roex, Tanya le; Nassimbeni, Luigi R.","Tunable clathrates","Chemical Communications","2001","","20","2128","","10.1039/b106080p","","","0.71073","MoKα","","0.1251","0.0967","","","0.2828","0.3002","","","","","","2.066","","","","has coordinates","180262","2020-10-21","18:00:00","" "7114861","9.0806","0.0004","9.0909","0.0003","14.6632","0.0007","72.294","0.001","87.66","0.001","70.299","0.002","1083.05","0.08","293","2","293","2","","","","","","","","5","P -1","-P 1","2","none","trans-9,10-dihydroxy-9,10-di-p-tert-butylphenyl-9,10-dihydroanthracene. 3(N,N-dimethylformamide). 1(dimethyl sulfoxide) clathrate","","- C45 H63 N3 O6 S -","- C45 H36 N3 O6 S -","- C45 H36 N3 O6 S -","1","0.5","","Caira, Mino R.; Roex, Tanya le; Nassimbeni, Luigi R.","Tunable clathrates","Chemical Communications","2001","","20","2128","","10.1039/b106080p","","","0.71073","MoKα","","0.1984","0.141","","","0.3819","0.4025","","","","","","2.44","","","","has coordinates","180262","2020-10-21","18:00:00","" "7114862","8.9414","0.0003","9.0806","0.0004","14.935","0.001","91.307","0.002","105.523","0.002","110.189","0.003","1087.67","0.1","173","2","173","2","","","","","","","","4","P -1","-P 1","2","none","trans-9,10-dihydroxy-9,10-di-p-tert-butylphenyl-9,10-dihydroanthracene. 4(N,N-Dimethylformamide) clathrate","","- C46 H64 N4 O6 -","- C46 H64 N4 O6 -","- C46 H64 N4 O6 -","1","0.5","","Caira, Mino R.; Roex, Tanya le; Nassimbeni, Luigi R.","Tunable clathrates","Chemical Communications","2001","","20","2128","","10.1039/b106080p","","","0.71073","MoKα","","0.0974","0.0575","","","0.1652","0.1964","","","","","","1.238","","","","has coordinates","180262","2020-10-21","18:00:00","" "7114863","9.033","0.0018","9.1302","0.0018","14.404","0.003","72.87","0.03","80.07","0.03","71.66","0.03","1073.4","0.4","293","2","293","2","","","","","","","","4","P -1","-P 1","2","none","trans-9,10-dihydroxy-9,10-di-p-tert-butlyphenyl-9,10-dihydroanthracene. 4(dimethyl sulfoxide) clathrate","","- C42 H60 O6 S4 -","- C42 H48 O6 S4 -","- C42 H48 O6 S4 -","1","0.5","","Caira, Mino R.; Roex, Tanya le; Nassimbeni, Luigi R.","Tunable clathrates","Chemical Communications","2001","","20","2128","","10.1039/b106080p","","","0.71073","MoKα","","0.1863","0.1283","","","0.3476","0.3691","","","","","","2.224","","","","has coordinates","180262","2020-10-21","18:00:00","" "7114864","9.046","0.0002","9.1291","0.0002","14.409","0.001","72.559","0.001","80.132","0.001","71.486","0.002","1072.64","0.08","173","2","173","2","","","","","","","","5","P -1","-P 1","2","none","trans-9,10-dihydroxy-9,10-di-p-tert-butylphenyl-9,10-dihydroanthracene. 1(N,N-dimethylformamide). 3(dimethyl sulfoxide) clathrate","","- C43 H61 N O6 S3 -","- C43 H48 N O6 S3 -","- C43 H48 N O6 S3 -","1","0.5","","Caira, Mino R.; Roex, Tanya le; Nassimbeni, Luigi R.","Tunable clathrates","Chemical Communications","2001","","20","2128","","10.1039/b106080p","","","0.71073","MoKα","","0.1082","0.0931","","","0.2981","0.312","","","","","","2.5","","","","has coordinates","180262","2020-10-21","18:00:00","" "7114865","8.1066","0.0003","10.3543","0.0003","17.9336","0.0006","90","","90","","90","","1505.31","0.09","150","2","150","2","","","","","","","synthesis as described","5","P c m n","-P 2n 2ac","62","","","","- C14 H15 B Co N6 -","- C14 H15 B Co N6 -","- C56 H60 B4 Co4 N24 -","4","0.5","","Brunker, Tim J.; Barlow, Stephen; O’Hare, Dermot","(η5-Cyclopentadienyl)(κ3 -hydrotris(pyrazolyl)borate)cobalt(ii)—the first high-spin cobalt organometallic complexElectronic supplementary information (ESI) available: full characterisation data for all compounds. See http://www.rsc.org/suppdata/cc/b1/b105661c/","Chemical Communications","2001","","20","2052","","10.1039/b105661c","","x-ray","0.71073","MoKα","","0.0396","0.0301","","","0.0689","0.0724","","","","","","1.038","","","","has coordinates","176453","2020-10-21","18:00:00","" "7114866","19.38","0.001","21.2586","0.0013","25.9052","0.0014","90","","90","","90","","10672.7","1","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C40 H36 Cl20 N V -","- C40 H36 Cl20 N V -","- C320 H288 Cl160 N8 V8 -","8","1","","Alonso, Pablo J.; Forniés, Juan; García-Monforte, M. Angeles; Martín, Antonio; Menjón, Babil","The first structurally characterised homoleptic organovanadium(iii) compound","Chemical Communications","2001","","20","2138","","10.1039/b106364m","","","0.71073","MoKα","","0.1468","0.0589","","","0.1128","0.1398","","","","","","1.011","","","","has coordinates","180262","2020-10-21","18:00:00","" "7114867","10.6401","0.0004","10.6401","0.0004","10.6401","0.0004","111.853","0.0004","111.853","0.0004","111.853","0.0004","835.6","0.06","150.2","","150.2","","","","","","","","","4","R 3 :R","P 3*","146","","","","- C11 H3 F8 N -","- C11.08 H3 F8 N -","- C33.24 H9 F24 N3 -","3","1","","Katagiri, Toshimasa; Yamaji, Sachiko; Handa, Michiharu; Irie, Minoru; Uneyama, Kenji","Diastereoselectivity controlled by electrostatic repulsion between the negative charge on a trifluoromethyl group and that on aromatic ringsElectronic supplementary information (ESI) available: general experimental methods and typical reaction procedure. See http://www.rsc.org/suppdata/cc/b1/b105602f/","Chemical Communications","2001","","20","2054","","10.1039/b105602f","","","0.7107","MoKα","","","0.0321","","","0.0308","","","","","1.411","1.411","","","","","has coordinates","176453","2020-10-21","18:00:00","" "7114868","8.364","0.002","26.394","0.005","12.751","0.003","90","","106.58","0.03","90","","2697.9","1.1","154","2","154","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C14 H31 Cl2 N10 O12 Pt1.5 -","- C14 H27 Cl2 N10 O12 Pt1.5 -","- C56 H108 Cl8 N40 O48 Pt6 -","4","1","","Lüth, Marc S.; Willermann, Michael; Lippert, Bernhard","Extreme (10^9) acidification of adenine-NH2 in an open platinated nucleobase quartet. A pH switch with potential as a biological acid/base catalyst","Chemical Communications","2001","","20","2058","","10.1039/b105395g","","","0.71069","MoKα","","0.0768","0.0511","","0.1676","0.1191","","","","0.962","1.108","1.108","","","","","has coordinates","176453","2020-10-21","18:00:00","" "7114869","14.699","0.01","34.114","0.015","22.346","0.017","90","","107.01","0.04","90","","10715","12","190","2","190","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C92 H121 Cl19 N12 Ni6 -","- C92 H121 Cl19 N12 Ni6 -","- C368 H484 Cl76 N48 Ni24 -","4","1","","Röder, Jens C.; Meyer, Franc; Pritzkow, Hans","An unusual hexanickel cage complex with µ- and µ3-chloro bridges and an interstitial µ6-chloride","Chemical Communications","2001","","21","2176","","10.1039/b106258c","","","0.71073","MoKα","","0.1193","0.0803","","","0.214","0.2547","","","","","","1.038","","","","has coordinates","180262","2020-10-21","18:00:00","" "7114870","11.5542","0.0002","13.6937","0.0002","16.0974","0.0003","97.368","0.001","110.249","0.001","102.478","0.001","2275.05","0.07","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C70 H102 Cl18 N8 Ni4 O4 -","- C70 H102 Cl18 N8 Ni4 O4 -","- C70 H102 Cl18 N8 Ni4 O4 -","1","0.5","","Röder, Jens C.; Meyer, Franc; Pritzkow, Hans","An unusual hexanickel cage complex with µ- and µ3-chloro bridges and an interstitial µ6-chloride","Chemical Communications","2001","","21","2176","","10.1039/b106258c","","","0.71073","MoKα","","0.0543","0.0379","","","0.0946","0.1063","","","","","","1.057","","","","has coordinates","180262","2020-10-21","18:00:00","" "7114871","16.8743","0.0003","14.8424","0.0003","34.0369","0.0004","90","","104.007","0.001","90","","8271.2","0.2","223","2","223","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C74 H82 Au3 F9 O14 P6 S3 -","- C74 H66 Au3 F9 O14 P6 S3 -","- C296 H264 Au12 F36 O56 P24 S12 -","4","1","","Schuh, Walter; Kopacka, Holger; Wurst, Klaus; Peringer, Paul","Observation of a P/M interconversion of a gold–phosphine helicate via   31P NMR","Chemical Communications","2001","","21","2186","","10.1039/b106058a","","","0.71073","MoKα","","0.0464","0.0363","","0.0932","0.0863","","","","1.025","1.055","1.055","","","","","has coordinates","180262","2020-10-21","18:00:00","" "7114872","14.672","0.002","14.88","0.001","16.379","0.002","91.912","0.006","111.136","0.005","115.533","0.005","2932.9","0.6","223","2","223","2","","","","","","","","7","P -1","-P 1","2","","","","- C56 H56 Au2 F6 O8 P4 S2 -","- C56 H48 Au2 F6 O8 P4 S2 -","- C112 H96 Au4 F12 O16 P8 S4 -","2","1","","Schuh, Walter; Kopacka, Holger; Wurst, Klaus; Peringer, Paul","Observation of a P/M interconversion of a gold–phosphine helicate via   31P NMR","Chemical Communications","2001","","21","2186","","10.1039/b106058a","","","0.71073","MoKα","","0.0844","0.0486","","0.1207","0.101","","","","1.043","1.115","1.115","","","","","has coordinates,has disorder","180262","2020-10-21","18:00:00","" "7114873","11.5546","0.0008","8.1809","0.0005","21.5214","0.0014","90","","97.881","0.001","90","","2015.1","0.2","153","2","153","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C25 H24 N4 -","- C25 H24 N4 -","- C100 H96 N16 -","4","1","","Keegan, Jennifer; Kruger, Paul E.; Nieuwenhuyzen, Mark; O’Brien, John; Martin, Noreen","Anion directed assembly of a dinuclear double helicateElectronic supplementary information (ESI) available: Fig. S1: stereoviews showing the packing of 1 in the solid state. Fig. S2: partial 1H NMR spectra of L2 and 1 and their assignment. See http://www.rsc.org/suppdata/cc/b1/b106981k/","Chemical Communications","2001","","21","2192","","10.1039/b106981k","","","0.71073","MoKα","","0.0622","0.0462","","","0.1156","0.1275","","","","","","1.031","","","","has coordinates","180262","2020-10-21","18:00:00","" "7114874","17.656","0.004","24.275","0.006","12.263","0.003","90","","90","","90","","5256","2","153","2","153","2","","","","","","","","5","P n n a","-P 2a 2bc","52","","","","- C25 H29 Cl4 N4 O0.5 -","- C25 H28 Cl4 N4 O0.5 -","- C200 H224 Cl32 N32 O4 -","8","1","","Keegan, Jennifer; Kruger, Paul E.; Nieuwenhuyzen, Mark; O’Brien, John; Martin, Noreen","Anion directed assembly of a dinuclear double helicateElectronic supplementary information (ESI) available: Fig. S1: stereoviews showing the packing of 1 in the solid state. Fig. S2: partial 1H NMR spectra of L2 and 1 and their assignment. See http://www.rsc.org/suppdata/cc/b1/b106981k/","Chemical Communications","2001","","21","2192","","10.1039/b106981k","","","0.71073","MoKα","","0.1092","0.0662","","","0.1625","0.1878","","","","","","0.961","","","","has coordinates","176453","2020-10-21","18:00:00","" "7114875","12.248","0.002","13.771","0.003","18.257","0.004","108.078","0.004","97.89","0.004","103.139","0.005","2778","1","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C56 H48 Cu2 N9 O15 -","- C56 H48 Cu2 N9 O15 -","- C112 H96 Cu4 N18 O30 -","2","1","","Zaman, Md. Badruz; Smith, Mark D.; zur Loye, Hans-Conrad","Two different one-dimensional structural motifs in the same coordination polymer: a novel interpenetration of infinite ladders by bundles of infinite chains","Chemical Communications","2001","","21","2256","","10.1039/b106190a","","","0.71073","MoKα","","0.1389","0.052","","","0.0936","0.1221","","","","","","0.975","","","","has coordinates","180262","2020-10-21","18:00:00","" "7114876","12.1363","0.0018","13.738","0.002","17.563","0.003","107.663","0.003","94.805","0.004","104.021","0.004","2667.6","0.7","180","2","180","2","","","","","","","","5","P -1","-P 1","2","","","","- C53 H42 Cu2 N9 O15 -","- C53 H42 Cu2 N9 O15 -","- C106 H84 Cu4 N18 O30 -","2","1","","Zaman, Md. Badruz; Smith, Mark D.; zur Loye, Hans-Conrad","Two different one-dimensional structural motifs in the same coordination polymer: a novel interpenetration of infinite ladders by bundles of infinite chains","Chemical Communications","2001","","21","2256","","10.1039/b106190a","","","0.71073","MoKα","","0.1232","0.0503","","","0.086","0.1125","","","","","","0.996","","","","has coordinates","180262","2020-10-21","18:00:00","" "7114877","9.5288","0.0004","29.1967","0.0015","11.0965","0.0006","90","","94.419","0.002","90","","3078","0.3","100","","100","","","","","","","","see paper","3","P 1 21/n 1","-P 2yn","14","","","","- C17 H22 N2 -","- C17 H22 N2 -","- C136 H176 N16 -","8","2","","Fürstner, Alois; Krause, Helga; Ackermann, Lutz; Lehmann, Christian W.","N-Heterocyclic carbenes can coexist with alkenes and C‒H acidic sites","Chemical Communications","2001","","21","2240","","10.1039/b107238b","","","0.71073","MoKα","","0.1287","0.0783","","","0.1758","0.2085","","","","","","1.124","","","","has coordinates","180262","2020-10-21","18:00:00","" "7114878","17.406","0.0002","10.281","0.0001","23.6677","0.0003","90","","96.673","0.001","90","","4206.67","0.08","100","","100","","","","","","","","see paper","7","P 1 21/c 1","-P 2ybc","14","","","","- C42 H61 Cl2 N2 O2 P Ru -","- C42 H61 Cl2 N2 O2 P Ru -","- C168 H244 Cl8 N8 O8 P4 Ru4 -","4","1","","Fürstner, Alois; Krause, Helga; Ackermann, Lutz; Lehmann, Christian W.","N-Heterocyclic carbenes can coexist with alkenes and C‒H acidic sites","Chemical Communications","2001","","21","2240","","10.1039/b107238b","","","0.71073","MoKα","","0.0835","0.0491","","","0.0993","0.1127","","","","","","0.983","","","","has coordinates","180262","2020-10-21","18:00:00","" "7114879","9.4493","0.0002","20.6687","0.0006","22.0865","0.0006","90","","90.16","0.002","90","","4313.58","0.19","183.2","","183.2","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C48 H47 B F4 Ir N3 P2 -","- C48 H47 B F4 Ir N3 P2 -","- C192 H188 B4 F16 Ir4 N12 P8 -","4","1","","Gründemann, Stephan; Kovacevic, Anes; Albrecht, Martin; Faller Robert, Jack W.; Crabtree, H.","Abnormal binding in a carbene complex formed from an imidazolium salt and a metal hydride complex","Chemical Communications","2001","","21","2274","","10.1039/b107881j","","","0.7107","MoKα","","0.0773","0.033","","0.05","","0.035","","","0.905","","","0.88","","","","has coordinates","176453","2020-10-21","18:00:00","" "7114880","13.2914","0.0005","19.1411","0.0007","29.532","0.001","90","","90","","90","","7513.3","0.5","218","2","218","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C119 H54 N6 Zn -","- C119 H54 N6 Zn -","- C476 H216 N24 Zn4 -","4","1","","D’Souza, Francis; Deviprasad, Gollapalli R.; Zandler, Melvin E.; Rath, Nigam P.","Structural studies of a non-covalently linked porphyrin‒fullerene dyad","Chemical Communications","2001","","3","267","","10.1039/b009528c","","","0.71073","MoKα","","0.1709","0.0923","","","0.1314","0.154","","","","","","1.049","","","","has coordinates","180262","2020-10-21","18:00:00","" "7114881","13.759","0.014","16.711","0.017","15.811","0.016","90","","114.533","0.01","90","","3307","6","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C56 H70.5 Cl2 N12.5 O13 Ru -","- C56 H70.5 Cl2 N12.5 O13 Ru -","- C112 H141 Cl4 N25 O26 Ru2 -","2","1","","Uppadine, Lindsay H.; Beer, Paul D.; Drew, Michael G. B.","Anion selectivity properties of ruthenium(ii) tris(5,5′-diamide-2,2′-bipyridine) receptors dictated by solvent and amide substituent","Chemical Communications","2001","","3","291","","10.1039/b008822f","","","0.71073","MoKα","","0.2264","0.1163","","","0.2983","0.3532","","","","","","0.936","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00","" "7114882","13.2052","0.0015","16.68","0.002","15.5267","0.0015","90","","107.424","0.013","90","","3263","0.7","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C32 H48 N2 O Sn -","- C32 H48 N2 O Sn -","- C128 H192 N8 O4 Sn4 -","4","1","","Dove, Andrew P.; Gibson, Vernon C.; Marshall, Edward L.; White, Andrew J. P.; Williams, David J.","A well defined tin(ii) initiator for the living polymerisation of lactide","Chemical Communications","2001","","3","283","","10.1039/b008770j","","","0.71073","MoKα","","0.0804","0.0491","","0.1303","0.1122","","","","1.022","1.089","1.089","","","","","has coordinates","180262","2020-10-21","18:00:00","" "7114883","8.323","0.004","9.8086","0.0003","17.3535","0.0001","93.246","0.003","90.208","0.002","115.035","0.001","1280.9","0.6","203","2","293","2","","","","","","","synthesis as described","5","P -1","-P 1","2","","","","- C26 H36 B Cl3 N2 -","- C26 H36 B Cl3 N2 -","- C52 H72 B2 Cl6 N4 -","2","1","","Mair, Francis S.; Manning, Robert; Pritchard, Robin G.; Warren, John E.","Imine chloroboration: reaction of boron trichloride with a bulky diazadiene gives not a diazaborolium salt, but a 2,4,5-trichloro-1,3,2-diazaborolidine","Chemical Communications","2001","","12","1136","","10.1039/b101580j","","x-ray","0.71073","MoKα","","0.067","0.0445","","","0.1134","0.1257","","","","","","1.044","","","","has coordinates","180262","2020-10-21","18:00:00","" "7114884","12.587","0","17.684","0","26.299","0","90","","100.136","0.001","90","","5762.49","0.018","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C68 H70 O2 S4 -","- C68 H70 O2 S4 -","- C272 H280 O8 S16 -","4","1","","Rajca, Andrzej; Wang, Hua; Pawitranon, Visa; Brett, Tom J.; Stezowski, John J.","Synthesis and structure of tetrathiophene with a chiral 1,1′-binaphthyl kink","Chemical Communications","2001","","12","1060","","10.1039/b007355p","","","0.71073","MoKα","","0.1023","0.0691","","","0.163","0.1764","","","","","","1.333","","","","has coordinates","180262","2020-10-21","18:00:00","" "7114885","8.176","0.002","14.718","0.003","15.952","0.003","90","","101.6","0.03","90","","1880.4","0.7","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Bis(dichromato(VI)-tri(4,4-bipyridine)-diaqua-dicopper(II)","","- C15 H14 Cr2 Cu N3 O8 -","- C15 H14 Cr2 Cu N3 O8 -","- C60 H56 Cr8 Cu4 N12 O32 -","4","1","","Pan, Long; Ching, Nancy; Huang, Xiaoying; Li, Jing","An unprecedented two-fold interpenetrated heterometallic 4664 network constructed by five-connected copper metal nodes","Chemical Communications","2001","","12","1064","","10.1039/b102155a","","","0.71073","MoKα","","0.1195","0.0538","","","0.0883","0.0993","","","","","","1.182","","","","has coordinates","180262","2020-10-21","18:00:00","" "7114886","11.0329","0.0001","11.8242","0.0002","15.3874","0.0002","72.298","0.001","81.444","0.001","84.862","0.001","1888.94","0.05","293","2","293","2","","","","","","","","8","P 1","P 1","1","","","","- C59 H66 Cu6 I3 Mo2 N11 O4 S6 -","- C59.42 H60.42 Cu6 I3 Mo2 N11 O4 S6 -","- C59.42 H60.42 Cu6 I3 Mo2 N11 O4 S6 -","1","1","","Zhang, Qian-Feng; Niu, Yunying; Xin, Xinquan; Leung, Wa-Hung; Williams, Ian D.; Song, Yinglin","Synthesis of a 2D polymeric cluster {[NEt4][Mo2O2S6Cu6I3(4,4′-bipy)5]·MeOH·H2O}n with a significant improvement of optical limiting effect","Chemical Communications","2001","","12","1126","","10.1039/b101929p","","","0.71073","MoKα","","0.1031","0.0646","","","0.1571","0.173","","","","","","0.937","","","","has coordinates","180262","2020-10-21","18:00:00","" "7114887","9.918","0.003","11.292","0.002","13.276","0.004","93.33","0.02","101.21","0.03","110.44","0.02","1353.7","0.7","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H26 Co N4 O9 -","- C28 H26 Co N4 O9 -","- C56 H52 Co2 N8 O18 -","2","1","","Lai, Szu-Fan; Cheng, Ching-Yuan; Lin, Kuan-Jiuh","Hydrothermal synthesis of a thermally stable porous supramolecular π‒π framework: [{Co2(C12H8N2)4(μ-C4O4)(OH2)2}C4O4]·8H2O","Chemical Communications","2001","","12","1082","","10.1039/b100921o","","","0.7107","","","0.0959","0.0405","","0.1207","0.1034","","","","0.925","1.07","1.07","","","","","has coordinates","180262","2020-10-21","18:00:00","" "7114888","16.306","0.003","18.802","0.004","23.787","0.005","104.84","0.03","104.54","0.03","98.56","0.03","6644","3","123","2","123","2","","","","","","","","6","P -1","-P 1","2","","","","- C100 H140 N12 Ni2 O50 S4 -","- C100 H64 N12 Ni2 O50 S4 -","- C200 H128 N24 Ni4 O100 S8 -","2","1","","Nichols, Peter J.; Raston, Colin L.; Steed, Jonathan W.","Engineering of porous π-stacked solids using mechanochemistry","Chemical Communications","2001","","12","1062","","10.1039/b103411c","","","0.71073","MoKα","","0.2674","0.1322","","","0.3518","0.4148","","","","","","1.231","","","","has coordinates,has disorder","180262","2020-10-21","18:00:00","" "7114889","51.747","0.0008","14.8734","0.0003","30.5036","0.0006","90","","102.44","0.006","90","","22926","0.9","123","2","123","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C212 H239 N26 Na Ni4 O79.5 S8 -","- C212 H144 N26 Na Ni4 O79.5 S8 -","- C848 H576 N104 Na4 Ni16 O318 S32 -","4","0.5","","Nichols, Peter J.; Raston, Colin L.; Steed, Jonathan W.","Engineering of porous π-stacked solids using mechanochemistry","Chemical Communications","2001","","12","1062","","10.1039/b103411c","","","0.71073","MoKα","","0.1355","0.0739","","","0.1922","0.2263","","","","","","1.014","","","","has coordinates,has disorder","287753","2023-11-23","09:34:44","" "7114890","11.6454","0.0007","12.2087","0.0007","16.1936","0.001","97.773","0.001","103.456","0.001","104.23","0.001","2124.7","0.2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C60 H114 B20 K4 N2 O18 -","- C60 H108 B20 K4 N2 O18 -","- C60 H108 B20 K4 N2 O18 -","1","0.5","","Zi, Guofu; Li, Hung-Wing; Xie, Zuowei","The first full-sandwich potassacarborane and a novel ‘carbons-adjacent’ R2C2B10H11− monoanion","Chemical Communications","2001","","12","1110","","10.1039/b102131c","","","0.71073","MoKα","","0.1165","0.0597","","","0.1583","0.1882","","","","","","0.858","","","","has coordinates,has disorder","180262","2020-10-21","18:00:00","" "7114891","8.9528","0.001","18.667","0.002","18.642","0.002","90","","101.116","0.002","90","","3057","0.6","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C22 H43 B10 K O6 -","- C22 H43 B10 K O6 -","- C88 H172 B40 K4 O24 -","4","1","","Zi, Guofu; Li, Hung-Wing; Xie, Zuowei","The first full-sandwich potassacarborane and a novel ‘carbons-adjacent’ R2C2B10H11− monoanion","Chemical Communications","2001","","12","1110","","10.1039/b102131c","","","0.71073","MoKα","","0.0859","0.0634","","","0.1711","0.1887","","","","","","1.039","","","","has coordinates","180262","2020-10-21","18:00:00","" "7114892","13.026","0.002","8.8051","0.0012","17.309","0.002","90","","105.24","0.011","90","","1915.4","0.5","203","2","203","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C42 H50 F2 N4 Zn2 -","- C42 H50 F2 N4 Zn2 -","- C84 H100 F4 N8 Zn4 -","2","0.5","","Hao, Haijun; Cui, Chunming; Roesky, Herbert W.; Bai, Guangcai; Schmidt, Hans-Georg; Noltemeyer, Mathias","Syntheses and structures of the first examples of zinc compounds with bridging fluorine and hydrogen atoms","Chemical Communications","2001","","12","1118","","10.1039/b102275j","","","0.71073","MoKα","","0.0294","0.0272","","0.0723","0.0702","","","","1.113","1.123","1.123","","","","","has coordinates","180262","2020-10-21","18:00:00","" "7114893","16.941","0.005","20.576","0.003","24.918","0.004","90","","90","","90","","8686","3","200","2","200","2","","","","","","","","4","F d d d :2","-F 2uv 2vw","70","","","","- C48 H58 N4 Zn2 -","- C48 H58 N4 Zn2 -","- C384 H464 N32 Zn16 -","8","0.25","","Hao, Haijun; Cui, Chunming; Roesky, Herbert W.; Bai, Guangcai; Schmidt, Hans-Georg; Noltemeyer, Mathias","Syntheses and structures of the first examples of zinc compounds with bridging fluorine and hydrogen atoms","Chemical Communications","2001","","12","1118","","10.1039/b102275j","","","0.71073","MoKα","","0.0366","0.0309","","","0.0787","0.0831","","","","","","1.102","","","","has coordinates","190011","2020-10-21","18:00:00","" "7114894","13.872","0.004","53.16","0.01","15.13","0.004","90","","97.9","0.02","90","","11052","5","155.2","","155.2","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C97 H82 F12 N10 O P8 Pt3 -","- C97 H76 F12 N10 O P8 Pt3 -","- C388 H304 F48 N40 O4 P32 Pt12 -","4","1","","Tanase, Tomoaki; Hamaguchi, Makiko; Ara Begum, Rowshan; Goto, Eri","Cyclic dimerization of tetracyanoethylene promoted on linear triplatinum centres leading to novel nitrene-bridged Pt3 complexes","Chemical Communications","2001","","12","1072","","10.1039/b101805l","","","0.7107","MoKα","","0.1134","0.0685","","","","0.227","","","","","","1.391","","","","has coordinates","176453","2020-10-21","18:00:00","" "7114895","8.8059","0.0002","34.3527","0.0007","16.8241","0.0004","90","","104.779","0.005","90","","4921","0.2","173","","173","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C46 H30 Cl8 Co N8 O8 -","- C46 H28 Cl8 Co N8 O8 -","- C184 H112 Cl32 Co4 N32 O32 -","4","1","","Jouaiti, Abdelaziz; Jullien, Valérie; Hosseini, Mir Wais; Planeix, Jean-Marc; De Cian, André","Controlling the formation of discrete complexes or a 1-D directional coordination network by the binding ability of anions","Chemical Communications","2001","","12","1114","","10.1039/b102042k","","","0.71073","Mo-Kα","","0.189","0.077","","0.555","","0.087","","","13.576","","","1.048","","","","has coordinates","180262","2020-10-21","18:00:00","" "7114896","8.7151","0.0007","13.792","0.001","10.2996","0.0005","90","","112.095","0.005","90","","1147.08","0.14","173","","173","","","","","","","","","5","P 1 2/n 1","-P 2yac","13","","","","- C23 H16 Cl4 Co N4 -","- C20.5 H14.5 Cl4 Co0.5 N3 -","- C41 H29 Cl8 Co N6 -","2","0.5","","Jouaiti, Abdelaziz; Jullien, Valérie; Hosseini, Mir Wais; Planeix, Jean-Marc; De Cian, André","Controlling the formation of discrete complexes or a 1-D directional coordination network by the binding ability of anions","Chemical Communications","2001","","12","1114","","10.1039/b102042k","","","0.71073","Mo-Kα","","0.127","0.063","","0.231","","0.074","","","3.478","","","1.013","","","","has coordinates","180262","2020-10-21","18:00:00","" "7114897","9.529","0.002","14.329","0.003","15.944","0.004","90","","97.14","0.02","90","","2160.1","0.8","294.2","","294.2","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H28 N4 Ni O4 -","- C20 H28 N4 Ni O4 -","- C80 H112 N16 Ni4 O16 -","4","1","","Hultgren (née Jones), Victoria M.; Beddoes, Roy L.; Collison, David; Helliwell, Madeleine; Atkinson, Ian M.; Garner, C. David; Lindoy, Leonard F.; Tasker, Peter A.","Formation of folded complexes retaining intramolecular H-bonding in the extraction of nickel(ii) by phenolic oxime and aliphatic diamine ligands","Chemical Communications","2001","","6","573","","10.1039/b009267n","","","1.5418","CuKα","","0.0735","0.0575","","0.071","0.0674","","","","2.074","2.209","2.209","","","","","has coordinates","209478","2020-10-21","18:00:00","" "7114898","17.6778","0.0005","29.5895","0.0009","19.4103","0.0006","90","","91.686","0.001","90","","10148.7","0.5","143","2","143","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","1","","","- C112 H78 Au2 F12 Hg N8 P8 -","- C112 H78 Au2 F12 Hg N8 P8 -","- C448 H312 Au8 F48 Hg4 N32 P32 -","4","1","","Catalano, Vincent J.; Malwitz, Mark A.; Noll, Bruce C.","A linearly coordinated Hg(0) trapped in a gold(i) metallocryptand cage","Chemical Communications","2001","","6","581","","10.1039/b100432h","","","0.71073","MoKα","","0.0819","0.0487","","","0.1097","0.1189","","","","","","1.026","","","","has coordinates,has disorder","180262","2020-10-21","18:00:00","" "7114899","10.596","0.003","15.96","0.002","9.86","0.001","92.75","0.01","106.4","0.02","88.74","0.02","1597.7","0.5","296.2","","","","","","","","","","","3","P -1","-P 1","2","","","","- C37 H24 S6 -","- C37 H27 S6 -","- C74 H54 S12 -","2","1","","Kurata, Hiroyuki; Nakaminami, Hiromichi; Matsumoto, Kouzou; Kawase, Takeshi; Oda, Masaji","Synthesis of novel cage molecules bicapped with tris(2-thienyl)methanes","Chemical Communications","2001","","6","529","","10.1039/b009811f","","","0.7107","MoKα","","","0.0397","","","","0.1127","","","","","","1.013","","","","has coordinates","176453","2020-10-21","18:00:00","" "7114900","8.5301","0.0003","8.5518","0.0004","19.1757","0.0005","90","","94.9043","0.0024","90","","1393.7","0.09","375","2","375","2","","","","","","","","6","P 1 21 1","P 2yb","4","","Bis-[2,6-dipyrazol-1-ylpyridine]iron(II) ditetrafluoroborate","","- C22 H18 B2 F8 Fe N10 -","- C22 H18 B2 F8 Fe N10 -","- C44 H36 B4 F16 Fe2 N20 -","2","1","","Holland, Joanne M.; Kilner, Colin A.; Thornton-Pett, Mark; Halcrow, Malcolm A.; McAllister, Judith A.; Lu, Zhibao","An unusual abrupt thermal spin-state transition in [FeL2][BF4]2 [L = 2,6-di(pyrazol-1-yl)pyridine]","Chemical Communications","2001","","6","577","","10.1039/b100995h","","","0.71073","MoKα","","0.06","0.0446","","","0.1111","0.1198","","","","","","1.024","","","","has coordinates,has disorder","180263","2020-10-21","18:00:00","" "7114901","8.4947","0.0002","8.507","0.0002","19.0535","0.0006","90","","95.705","0.0018","90","","1370.07","0.06","290","2","290","2","","","","","","","","6","P 1 21 1","P 2yb","4","","Bis-[2,6-dipyrazol-1-ylpyridine]iron(II) ditetrafluoroborate","","- C22 H18 B2 F8 Fe N10 -","- C22 H18 B2 F8 Fe N10 -","- C44 H36 B4 F16 Fe2 N20 -","2","1","","Holland, Joanne M.; Kilner, Colin A.; Thornton-Pett, Mark; Halcrow, Malcolm A.; McAllister, Judith A.; Lu, Zhibao","An unusual abrupt thermal spin-state transition in [FeL2][BF4]2 [L = 2,6-di(pyrazol-1-yl)pyridine]","Chemical Communications","2001","","6","577","","10.1039/b100995h","","","0.71073","MoKα","","0.0432","0.04","","","0.1075","0.1102","","","","","","1.033","","","","has coordinates,has disorder","180263","2020-10-21","18:00:00","" "7114902","8.4977","0.0003","8.5665","0.0003","18.4299","0.0008","90","","98.0931","0.0012","90","","1328.25","0.09","240","2","240","2","","","","","","","","6","P 1 21 1","P 2yb","4","","Bis-[2,6-dipyrazol-1-ylpyridine]iron(II) ditetrafluoroborate","","- C22 H18 B2 F8 Fe N10 -","- C22 H18 B2 F8 Fe N10 -","- C44 H36 B4 F16 Fe2 N20 -","2","1","","Holland, Joanne M.; Kilner, Colin A.; Thornton-Pett, Mark; Halcrow, Malcolm A.; McAllister, Judith A.; Lu, Zhibao","An unusual abrupt thermal spin-state transition in [FeL2][BF4]2 [L = 2,6-di(pyrazol-1-yl)pyridine]","Chemical Communications","2001","","6","577","","10.1039/b100995h","","","0.71073","MoKα","","0.0613","0.0462","","","0.1086","0.124","","","","","","1.068","","","","has coordinates,has disorder","180263","2020-10-21","18:00:00","" "7114903","8.4575","0.0002","8.5233","0.0002","18.3756","0.0004","90","","98.2896","0.0013","90","","1310.78","0.05","150","2","150","2","","","","","","","","6","P 1 21 1","P 2yb","4","","Bis-[2,6-dipyrazol-1-ylpyridine]iron(II) ditetrafluoroborate","","- C22 H18 B2 F8 Fe N10 -","- C22 H18 B2 F8 Fe N10 -","- C44 H36 B4 F16 Fe2 N20 -","2","1","","Holland, Joanne M.; Kilner, Colin A.; Thornton-Pett, Mark; Halcrow, Malcolm A.; McAllister, Judith A.; Lu, Zhibao","An unusual abrupt thermal spin-state transition in [FeL2][BF4]2 [L = 2,6-di(pyrazol-1-yl)pyridine]","Chemical Communications","2001","","6","577","","10.1039/b100995h","","","0.71073","MoKα","","0.0334","0.0311","","","0.0775","0.0793","","","","","","1.065","","","","has coordinates","180263","2020-10-21","18:00:00","" "7114904","12.647","0.003","12.659","0.003","17.565","0.004","96.233","0.005","100.407","0.005","90.12","0.005","2748.8","1.1","173","2","173","2","","","","","","","","3","P -1","-P 1","2","","","","- C58 H86 O4 -","- C57.86 H85.7 O4 -","- C115.72 H171.4 O8 -","2","1","","Brouwer, Eric B.; Udachin, Kostantin A.; Enright, Gary D.; Ripmeester, John A.; Ooms, Kristopher J.; Halchuk, Peter A.","Self-inclusion and paraffin intercalation of the p-tert-butylcalix[4]arene host: a neutral organic clay mimic","Chemical Communications","2001","","6","565","","10.1039/b009133m","","","0.71073","MoKα","","0.1838","0.0889","","","0.1975","0.2178","","","","","","1.012","","","","has coordinates,has disorder","180263","2020-10-21","18:00:00","" "7114905","9.5878","0.0005","30.5003","0.0017","13.5412","0.0008","90","","109.852","0.001","90","","3724.5","0.4","173","2","173","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C44 H56 O4 -","- C44 H56 O4 -","- C176 H224 O16 -","4","1","","Brouwer, Eric B.; Udachin, Kostantin A.; Enright, Gary D.; Ripmeester, John A.; Ooms, Kristopher J.; Halchuk, Peter A.","Self-inclusion and paraffin intercalation of the p-tert-butylcalix[4]arene host: a neutral organic clay mimic","Chemical Communications","2001","","6","565","","10.1039/b009133m","","","0.7107","MoKα","","0.0707","0.0414","","","0.0984","0.1059","","","","","","0.958","","","","has coordinates,has disorder","180263","2020-10-21","18:00:00","" "7114906","13.539","0.003","21.137","0.004","21.223","0.004","90","","90","","90","","6073","2","301.2","","301.2","","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C63 H65 B Cu2 F4 O2 P4 Se -","- C63 H65 B Cu2 F4 O2 P4 Se -","- C252 H260 B4 Cu8 F16 O8 P16 Se4 -","4","1","","Wing-Wah Yam, Vivian; Lam, Chi-Ho; Cheung, Kung-Kai","Syntheses and luminescence behaviour of dinuclear copper(i) selenolate and tellurolate complexes. X-Ray crystal structures of [Cu2(μ-dppm)2(μ-SePh)]BF4 and [Cu2(μ-dppm)2(μ-TePh)]BF4","Chemical Communications","2001","","6","545","","10.1039/b009676h","","","0.7107","MoKalpha","","","0.0543","","","0.071","","","","","2.979","2.979","","","","","has coordinates","176453","2020-10-21","18:00:00","" "7114907","13.546","0.002","21.094","0.003","21.274","0.003","90","","90","","90","","6078.8","1.5","301.2","","301.2","","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C63 H65 B Cu2 F4 O2 P4 Te -","- C63 H65 B Cu2 F4 O2 P4 Te -","- C252 H260 B4 Cu8 F16 O8 P16 Te4 -","4","1","","Wing-Wah Yam, Vivian; Lam, Chi-Ho; Cheung, Kung-Kai","Syntheses and luminescence behaviour of dinuclear copper(i) selenolate and tellurolate complexes. X-Ray crystal structures of [Cu2(μ-dppm)2(μ-SePh)]BF4 and [Cu2(μ-dppm)2(μ-TePh)]BF4","Chemical Communications","2001","","6","545","","10.1039/b009676h","","","0.7107","MoKalpha","","","0.0553","","","0.0722","","","","","2.094","2.094","","","","","has coordinates","176453","2020-10-21","18:00:00","" "7114908","11.281","0.002","26.56","0.005","13.995","0.003","90","","107.39","0.03","90","","4001.6","1.5","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C36.5 H40.5 Cl1.5 Fe N8 O7 -","- C36.5 H40.5 Cl1.5 Fe N8 O7 -","- C146 H162 Cl6 Fe4 N32 O28 -","4","1","","Collinson, Simon R.; Tucker, James H. R.; Gelbrich, T.; Hursthouse, Michael B.","Novel ferrocene receptors for barbiturates and ureas","Chemical Communications","2001","","6","555","","10.1039/b009820p","","","0.71073","MoKα","","0.1679","0.0841","","","0.1566","0.174","","","","","","1.111","","","","has coordinates","176453","2020-10-21","18:00:00","" "7114909","19.1292","0.0016","19.3643","0.0016","24.966","0.002","90","","96.764","0.002","90","","9183.6","1.3","193","2","193","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C66 H112 Mo4 N15 Na O12 -","- C67.282 H96.825 Mo4 N15.881 Na O14.061 -","- C269.128 H387.3 Mo16 N63.524 Na4 O56.244 -","4","1","","Contakes, Stephen M.; Rauchfuss, Thomas B.","Alkali metal-templated assembly of the tetrahedral cyanometallate cages [M⊂Mo4(μ-CN)6(CO)12]5− (M = Li, Na)","Chemical Communications","2001","","6","553","","10.1039/b010192n","","","0.71073","MoKα","","0.1052","0.0735","","","0.1894","0.2107","","","","","","1.058","","","","has coordinates,has disorder","180263","2020-10-21","18:00:00","" "7114910","10.808","0.007","12.425","0.009","16.592","0.011","71.99","0.05","77.4","0.06","81.18","0.06","2059","3","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C43 H69 In Si2 -","- C43 H69 In Si2 -","- C86 H138 In2 Si4 -","2","1","","Kühler, Thorsten; Jutzi, Peter; Stammler, Anja; Stammler, Hans-Georg","Easy formation of indium‒silicon bonds: reaction of decamethylsilicocene with trimethylindium","Chemical Communications","2001","","6","539","","10.1039/b009839f","","","0.71073","MoKα","","0.0903","0.0614","","","0.1462","0.1628","","","","","","1.017","","","","has coordinates","180263","2020-10-21","18:00:00","" "7114911","12.687","0.004","12.0981","0.0019","7.0707","0.0017","90","","112.565","0.018","90","","1002.2","0.4","173","2","173","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C5 H5 Cl N -","- C5 H5 Cl N -","- C40 H40 Cl8 N8 -","8","1","","Dolling, Ben; Gillon, Amy L.; Orpen, A. Guy; Starbuck, Jonathan; Wang, Xi-Meng","Homologous families of chloride-rich 4,4′-bipyridinium salt structures","Chemical Communications","2001","","6","567","","10.1039/b009467f","","","0.71073","MoKα","","0.0299","0.0255","","","0.0749","0.0765","","","","","","1.099","","","","has coordinates","180263","2020-10-21","18:00:00","" "7114912","7.4757","0.0017","12.837","0.002","15.362","0.002","90","","90","","90","","1474.2","0.4","173","2","173","2","","","","","","","","5","I b a m","-I 2 2c","72","","","","- C10 H10 Cl6 N2 Pt -","- C10 H10 Cl6 N2 Pt -","- C40 H40 Cl24 N8 Pt4 -","4","0.25","","Dolling, Ben; Gillon, Amy L.; Orpen, A. Guy; Starbuck, Jonathan; Wang, Xi-Meng","Homologous families of chloride-rich 4,4′-bipyridinium salt structures","Chemical Communications","2001","","6","567","","10.1039/b009467f","","","0.71073","MoKα","","0.0206","0.0169","","","0.0463","0.0474","","","","","","1.16","","","","has coordinates","180263","2020-10-21","18:00:00","" "7114913","7.3602","0.001","12.8184","0.0018","15.606","0.002","90","","90","","90","","1472.4","0.3","293","2","293","2","","","","","","","","5","I b a m","-I 2 2c","72","","","","- C10 H10 Cl6 N2 Os -","- C10 H10 Cl6 N2 Os -","- C40 H40 Cl24 N8 Os4 -","4","0.25","","Dolling, Ben; Gillon, Amy L.; Orpen, A. Guy; Starbuck, Jonathan; Wang, Xi-Meng","Homologous families of chloride-rich 4,4′-bipyridinium salt structures","Chemical Communications","2001","","6","567","","10.1039/b009467f","","","0.71073","MoKα","","0.0418","0.0237","","","0.0495","0.0539","","","","","","0.988","","","","has coordinates","180263","2020-10-21","18:00:00","" "7114914","16.651","0.002","11.6816","0.0015","7.2764","0.001","90","","90","","90","","1415.3","0.3","173","2","293","2","","","","","","","","5","A m a 2","A 2 -2a","40","","","","- C10 H10 Cl5 Fe N2 -","- C10 H10 Cl5 Fe N2 -","- C40 H40 Cl20 Fe4 N8 -","4","0.5","","Dolling, Ben; Gillon, Amy L.; Orpen, A. Guy; Starbuck, Jonathan; Wang, Xi-Meng","Homologous families of chloride-rich 4,4′-bipyridinium salt structures","Chemical Communications","2001","","6","567","","10.1039/b009467f","","","0.71073","MoKα","","0.0395","0.0286","","","0.0615","0.0651","","","","","","1.039","","","","has coordinates","180263","2020-10-21","18:00:00","" "7114915","9.0249","0.0006","12.7597","0.001","18.0367","0.0013","92.299","0.009","91.058","0.008","105.735","0.009","1996.6","0.3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","Bis[bis(diethylenetriamine)nickel(ii)]Bis[cyclo-octasulfido- tetraantimonate(iii)]","","- C16 H52 N12 Ni2 S8 Sb4 -","- C16 H52 N12 Ni2 S8 Sb4 -","- C32 H104 N24 Ni4 S16 Sb8 -","2","1","","Bensch, Wolfgang; Näther, Christian; Stähler, Ralph","Solvothermal synthesis of [Ni(C4H13N3)2]2Sb4S8: the first compound with a cyclic [Sb4S8]4− anion","Chemical Communications","2001","","5","477","","10.1039/b009583o","","","0.71073","MoKα","","0.041","0.0313","","","0.0775","0.0814","","","","","","1.019","","","","has coordinates","180263","2020-10-21","18:00:00","" "7114916","9.404","0.001","22.726","0.001","15.382","0.001","90","","95.04","0.01","90","","3274.7","0.4","198","2","198","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C60 H74 Li2 N8 O20 Ti2 -","- C60 H74 Li2 N8 O20 Ti2 -","- C120 H148 Li4 N16 O40 Ti4 -","2","1","","Albrecht, Markus; Napp, Matthias; Schneider, Matthias; Weis, Patrick; Fröhlich, Roland","Kinetic versus thermodynamic control of the self-assembly of isomeric double-stranded dinuclear titanium(iv) complexes from a phenylalanine-bridged dicatechol ligand","Chemical Communications","2001","","5","409","","10.1039/b009657l","","","0.71073","MoKα","","0.1293","0.0682","","","0.121","0.1468","","","","","","1.018","","","","has coordinates","180263","2020-10-21","18:00:00","" "7114917","6.082","0.0008","6.329","0.0012","11.666","0.002","81.379","0.011","88.407","0.013","61.999","0.01","391.55","0.12","170","2","170","2","","","","","","","","4","P -1","-P 1","2","","","","- C6 H7 Br O4 -","- C6 H7 Br O4 -","- C12 H14 Br2 O8 -","2","1","","Robinson, James J.; Buchanan, J. Grant; Kinsman, Richard G.; Mahon, Mary F.; Williams, Ian H.; Charlton, Michael H.","Evidence for α-lactone intermediates in addition of aqueous bromine to disodium dimethyl-maleate and -fumarate","Chemical Communications","2001","","5","485","","10.1039/b100335f","","","0.7107","MoKα","","0.0369","0.0332","","","0.0964","0.105","","","","","","0.341","","","","has coordinates","180263","2020-10-21","18:00:00","" "7114918","10.4057","0.0009","6.4044","0.0004","12.0468","0.0011","90","","92.812","0.004","90","","801.86","0.11","170","2","170","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C6 H7 Br O4 -","- C6 H7 Br O4 -","- C24 H28 Br4 O16 -","4","1","","Robinson, James J.; Buchanan, J. Grant; Kinsman, Richard G.; Mahon, Mary F.; Williams, Ian H.; Charlton, Michael H.","Evidence for α-lactone intermediates in addition of aqueous bromine to disodium dimethyl-maleate and -fumarate","Chemical Communications","2001","","5","485","","10.1039/b100335f","","","0.71073","MoKα","","0.0594","0.0364","","","0.1021","0.1185","","","","","","0.895","","","","has coordinates","180263","2020-10-21","18:00:00","" "7114919","20.767","0.005","13.96","0.003","28.085","0.007","90","","107.479","0.003","90","","7766","3","160","2","160","2","","","","","","","","3","I 1 2 1","I 2y","5","","","","- C66 H80 O38 -","- C66 O38 -","- C264 O152 -","4","1","","Stanier, Carol A.; O’Connell, Michael J.; Anderson, Harry L.; Clegg, William","Synthesis of fluorescent stilbene and tolan rotaxanes by Suzuki coupling","Chemical Communications","2001","","5","493","","10.1039/b010015n","","","0.6942","synchrotron","","0.168","0.1638","","","0.3911","0.3941","","","","","","1.06","","","","has coordinates","180263","2020-10-21","18:00:00","" "7114920","14.4211","0.0006","14.4211","0.0006","34.489","0.002","90","","90","","90","","7172.6","0.6","153","2","153","2","","","","","","","","6","P 43 21 2","P 4nw 2abw","96","","","","- C45 H36 N1.5 O2 P Rh -","- C45 H36 N1.5 O2 P Rh -","- C360 H288 N12 O16 P8 Rh8 -","8","1","","Barberis, Mario; Pérez-Prieto, Julia; Lahuerta, Pascual; Sanaú, Mercedes","Enantiocontrol in the intermolecular cyclopropanation reaction catalyzed by dirhodium(ii) complexes with ortho-metalated aryl phosphine ligands","Chemical Communications","2001","","5","439","","10.1039/b010145c","","","0.71073","MoKα","","0.0474","0.0365","","","0.0735","0.0776","","","","","","1.114","","","","has coordinates","176453","2020-10-21","18:00:00","" "7114921","21.3742","0.0006","18.7308","0.0006","17.1833","0.0005","90","","90.025","0.001","90","","6879.4","0.4","223","2","223","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C73 H62.5 Cl2 F6 P5 Pt2 S2 -","- C73 H61 Cl2 F6 P5 Pt2 S2 -","- C292 H244 Cl8 F24 P20 Pt8 S8 -","4","0.5","","Fong, S.-W. Audi; Vittal, Jagadese J.; Hor, T. S. Andy; Henderson, William; Oliver, Allen G.; Rickard, Clifton E. F.","A rapid screening, ‘combinatorial-type’ survey of the metalloligand chemistry of Pt2(PPh3)4(μ-S)2 using electrospray mass spectrometry","Chemical Communications","2001","","5","421","","10.1039/b009616b","","","0.71073","MoKα","","0.0268","0.0218","","","0.0518","0.0537","","","","","","1.076","","","","has coordinates","176453","2020-10-21","18:00:00","" "7114922","18.09","0.0002","21.3643","0.0002","23.0658","0.0002","98.643","0.001","95.966","0.001","93.923","0.001","8733.44","0.15","200","2","200","2","","","","","","","","9","P -1","-P 1","2","","","","- C168 H130 Au2 B2 F8 N2 P8 Pt4 S4 -","- C168 H130 Au2 B2 F8 N2 P8 Pt4 S4 -","- C336 H260 Au4 B4 F16 N4 P16 Pt8 S8 -","2","1","","Fong, S.-W. Audi; Vittal, Jagadese J.; Hor, T. S. Andy; Henderson, William; Oliver, Allen G.; Rickard, Clifton E. F.","A rapid screening, ‘combinatorial-type’ survey of the metalloligand chemistry of Pt2(PPh3)4(μ-S)2 using electrospray mass spectrometry","Chemical Communications","2001","","5","421","","10.1039/b009616b","","","0.71073","MoKα","","0.0735","0.0463","","","0.1107","0.1208","","","","","","1.026","","","","has coordinates,has disorder","180263","2020-10-21","18:00:00","" "7114923","9.621","0.002","22.144","0.003","16.221","0.002","90","","106.209","0.014","90","","3318.5","0.9","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","1,5-dioxa-4lambda4-selenaspiro[3.3]heptane","3,7-diphenyl-2,2,6,6-tetrakis(trifluoromethyl)- 1,5-dioxa-4lambda4-selenaspiro[3.3]heptane","","- C20 H12 F12 O2 Se -","- C20 H12 F12 O2 Se -","- C120 H72 F72 O12 Se6 -","6","1.5","","Ohno, Fumihiko; Kawashima, Takayuki; Okazaki, Renji","Synthesis and thermolysis of novel spiroselenuranes bearing two oxaselenetane rings: double oxirane formation reactions from 1,5-dioxa-4λ4-selenaspiro[3.3]heptanes","Chemical Communications","2001","","5","463","","10.1039/b009789f","","","0.71069","MoKα","","0.2105","0.0809","","","0.1757","0.2193","","","","","","1.013","","","","has coordinates,has disorder","180263","2020-10-21","18:00:00","" "7114924","6.0624","0.0009","7.4468","0.0011","13.0565","0.0017","78.442","0.005","82.972","0.006","85.693","0.005","572.37","0.14","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","Decafluoro-distyrylistilbene","","- C30 H14 F10 -","- C30 H14 F10 -","- C30 H14 F10 -","1","0.5","","Feast, W. James; Lövenich, P. Wilfried; Puschmann, Horst; Taliani, Carlo","Synthesis and structure of 4,4′-bis(2,3,4,5,6-pentafluorostyryl)stilbene, a self-assembling J aggregate based on aryl‒fluoroaryl interactions","Chemical Communications","2001","","5","505","","10.1039/b100002k","","","0.71073","MoKα","","0.1516","0.0853","","","0.1688","0.1885","","","","","","1.21","","","","has coordinates","180263","2020-10-21","18:00:00","" "7114925","8.885","0.002","17.329","0.003","9.018","0.002","90","","93.48","0.02","90","","1385.9","0.5","150","0.1","150","0.1","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C8 H16 Ag B F4 S2 Te -","- C8 H16 Ag B F4 S2 Te -","- C32 H64 Ag4 B4 F16 S8 Te4 -","4","1","","Levason, William; Orchard, Simon D.; Reid, Gillian","Synthesis and properties of the first series of mixed thioether/telluroether macrocycles","Chemical Communications","2001","","5","427","","10.1039/b008370o","","","0.71073","MoKα","","0.0377","0.0377","","0.0709","","0.0709","","","3.31","","","3.31","","","","has coordinates","176453","2020-10-21","18:00:00","" "7114926","13.3139","0.0005","18.6428","0.0008","15.7642","0.0006","90","","93.963","0.001","90","","3903.5","0.3","90","2","90","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","Zn(II) TMCP","Zn(II) meso-Tetra[4-(1-methyl-o-carboranyl)methylphenyl]porphyrin","","- C66 H89.8 B40 Cl N4 Zn0.6 -","- C66 H84 B40 Cl N4 Zn0.6 -","- C132 H168 B80 Cl2 N8 Zn1.2 -","2","0.5","","Vicente, M. Graça H.; Nurco, Daniel J.; Shetty, Shankar J.; Medforth, Craig J.; Smith, Kevin M.","First structural characterization of a covalently bonded porphyrin‒carborane system","Chemical Communications","2001","","5","483","","10.1039/b100231g","","","0.71073","MoKα","","0.1108","0.0693","","","0.1702","0.1908","","","","","","1.013","","","","has coordinates","176453","2020-10-21","18:00:00","" "7114927","36.774","0.003","14.9295","0.0012","27.037","0.002","90","","121.884","0.004","90","","12604.1","1.8","105","","105","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C105 H102 Cl18 Mn12 N6 O30 -","- C105 H102 Cl18 Mn12 N6 O30 -","- C420 H408 Cl72 Mn48 N24 O120 -","4","0.5","","Boskovic, Colette; Brechin, Euan K.; Streib, William E.; Folting, Kirsten; Christou, George; Hendrickson, David N.","A new class of single-molecule magnets: mixed-valent [Mn12O8Cl4(O2CPh)8(hmp)6]","Chemical Communications","2001","","5","467","","10.1039/b010038m","","","0.71069","MoKα","","","0.0353","","","","0.0379","","","","","","0.8413","","","","has coordinates,has disorder","180263","2020-10-21","18:00:00","" "7114928","14.2602","0.0012","14.8241","0.0012","15.7931","0.0014","94.558","0.002","92.773","0.002","114.916","0.002","3005.9","0.4","113","","113","","","","","","","","","6","P -1","-P 1","2","","","","- C104 H104 Cl12 Mn12 N6 O32 -","- C104 H104 Cl12 Mn12 N6 O32 -","- C104 H104 Cl12 Mn12 N6 O32 -","1","0.5","","Boskovic, Colette; Brechin, Euan K.; Streib, William E.; Folting, Kirsten; Christou, George; Hendrickson, David N.","A new class of single-molecule magnets: mixed-valent [Mn12O8Cl4(O2CPh)8(hmp)6]","Chemical Communications","2001","","5","467","","10.1039/b010038m","","","0.71073","MoKα","","","0.0623","","","","0.0698","","","","","","1.5743","","","","has coordinates,has disorder","180263","2020-10-21","18:00:00","" "7114929","13.168","0.003","17.773","0.004","20.929","0.004","73.83","0.03","75.37","0.03","75.49","0.03","4465.4","1.9","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C90 H114 F9 N9 O6 Pd3 -","- C90 H114 F9 N9 O6 Pd3 -","- C180 H228 F18 N18 O12 Pd6 -","2","1","","Bröring, Martin; D. Brandt, Carsten","Tripyrrin—the missing link in the series of oligopyrrolic ligands","Chemical Communications","2001","","5","499","","10.1039/b009847g","","","0.71073","MoKα","","0.0614","0.043","","","0.1011","0.1062","","","","","","0.899","","","","has coordinates,has disorder","180263","2020-10-21","18:00:00","" "7114930","13.1698","0.0009","19.1965","0.0012","16.6969","0.0011","90","","108.967","0.001","90","","3992","0.5","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C36 H53 N6 Ni1.5 O10 -","- C36 H53 N6 Ni1.5 O10 -","- C144 H212 N24 Ni6 O40 -","4","1","","Prior, Timothy J.; Rosseinsky, Matthew J.","Crystal engineering of a 3-D coordination polymer from 2-D building blocks","Chemical Communications","2001","","5","495","","10.1039/b009455m","","","0.6923","synchrotron","","0.1069","0.0866","","","0.2068","0.2222","","","","","","1.083","","","","has coordinates","288155","2023-12-07","17:20:22","" "7114931","10.9884","0.0005","11.1706","0.0005","22.056","0.001","81.648","0.001","75.714","0.001","61.359","0.001","2301.41","0.18","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C43.07 H29.14 Cl0.14 Fe4 O15 P3 -","- C43.07 H29.14 Cl0.14 Fe4 O15 P3 -","- C86.14 H58.28 Cl0.28 Fe8 O30 P6 -","2","1","","Low, Paul J.; Carty, Arthur J.; Udachin, Konstantin A.; Enright, Gary D.","Poly-carbon chemistry: reactions of the multi-site coordinated diyndiyl ligand in {Fe2(CO)6(μ-PPh2)}2(μ-η1,η2∶μ-η1,η2-CC‒CC) with the nucleophiles P(OMe)3 and NHEt2","Chemical Communications","2001","","5","411","","10.1039/b009797g","","","0.7107","MoKα","","0.0626","0.0528","","","0.1175","0.1243","","","","","","1.07","","","","has coordinates,has disorder","180263","2020-10-21","18:00:00","" "7114932","39.793","0.004","11.6394","0.0012","19.552","0.0019","90","","102.081","0.002","90","","8855.3","1.5","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C44 H31 Fe4 N O12 P2 -","- C44 H31 Fe4 N O12 P2 -","- C352 H248 Fe32 N8 O96 P16 -","8","2","","Low, Paul J.; Carty, Arthur J.; Udachin, Konstantin A.; Enright, Gary D.","Poly-carbon chemistry: reactions of the multi-site coordinated diyndiyl ligand in {Fe2(CO)6(μ-PPh2)}2(μ-η1,η2∶μ-η1,η2-CC‒CC) with the nucleophiles P(OMe)3 and NHEt2","Chemical Communications","2001","","5","411","","10.1039/b009797g","","","0.7107","MoKα","","0.1264","0.0768","","","0.1403","0.1549","","","","","","1.07","","","","has coordinates","182257","2020-10-21","18:00:00","" "7114933","14.4035","0.001","21.8794","0.0015","14.4482","0.001","90","","105.52","0.05","90","","4387.2","1.2","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C44 H31 Fe4 N O12 P2 -","- C44 H31 Fe4 N O12 P2 -","- C176 H124 Fe16 N4 O48 P8 -","4","1","","Low, Paul J.; Carty, Arthur J.; Udachin, Konstantin A.; Enright, Gary D.","Poly-carbon chemistry: reactions of the multi-site coordinated diyndiyl ligand in {Fe2(CO)6(μ-PPh2)}2(μ-η1,η2∶μ-η1,η2-CC‒CC) with the nucleophiles P(OMe)3 and NHEt2","Chemical Communications","2001","","5","411","","10.1039/b009797g","","","0.7093","","","0.0876","0.05","","","0.0938","0.103","","","","","","0.955","","","","has coordinates","180263","2020-10-21","18:00:00","" "7114934","12.9078","0.0008","13.791","0.0009","16.6485","0.001","93.77","0.001","102.761","0.001","91.189","0.002","2882.3","0.3","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C68 H68 N2 O8 -","- C68.01 H67.03 N4 O8 -","- C136.02 H134.06 N8 O16 -","2","1","","MacGillivray, Leonard R.; Reid, Jennifer L.; Ripmeester, John A.","Conformational isomerism leads to supramolecular isomerism and nanoscale inclusion in 2D extended framework solids based on C-methylcalix[4]resorcinarene","Chemical Communications","2001","","11","1034","","10.1039/b102856c","","","0.7107","MoKα","","0.1281","0.0589","","0.1622","0.1297","","","","1.025","1.156","1.156","","","","","has coordinates","180263","2020-10-21","18:00:00","" "7114935","17.237","0.003","17.2371","","19.432","0.002","90","","90","","90","","5773.6","1.2","296.2","","296.2","","","","","","","","","5","P 41 21 2","P 4abw 2nw","92","","","","- C21 H36 Fe N7 O9 -","- C21 H36 Fe N7 O9 -","- C168 H288 Fe8 N56 O72 -","8","1","","Matsumoto, Kenji; Ozawa, Tomohiro; Jitsukawa, Koichiro; Einaga, Hisahiko; Masuda, Hideki","A structural model of the ferrichrome type siderophore: chiral preference induced by intramolecular hydrogen bonding networks in ferric trihydroxamate","Chemical Communications","2001","","11","978","","10.1039/b100306m","","","1.5418","CuKα","","","0.0526","","","0.0316","","","","","1.536","1.536","","","","","has coordinates","176453","2020-10-21","18:00:00","" "7114936","10.3","0.002","10.536","0.002","25.81","0.006","90","","90","","90","","2800.9","1","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C15 H17 N O3 -","- C15 H17 N O3 -","- C120 H136 N8 O24 -","8","2","","Youn, So Won; Kim, Yong Hae; Hwang, Jeong-Wook; Do, Youngkyu","Highly diastereoselective additions of methoxyallene and acetylenes to chiral α-keto amides","Chemical Communications","2001","","11","996","","10.1039/b100355k","","","0.71073","MoKα","","0.1345","0.0333","","0.0502","0.0404","","","","0.713","0.956","0.956","","","","","has coordinates","180263","2020-10-21","18:00:00","" "7114937","5.833","0.0007","6.029","0.001","6.24","0.001","80.372","0.008","81.533","0.01","65.942","0.008","196.8","0.05","103","1","103","1","","","","","","","","4","P -1","-P 1","2","","","","- C4 H16 B2 N2 -","- C4 H16 B2 N2 -","- C4 H16 B2 N2 -","1","0.5","","Jaska, Cory A.; Temple, Karen; Lough, Alan J.; Manners, Ian","Rhodium-catalyzed formation of boron‒nitrogen bonds: a mild route to cyclic aminoboranes and borazines","Chemical Communications","2001","","11","962","","10.1039/b102361f","","","0.7107","MoKα","","0.1209","0.0963","","","0.2866","0.3002","","","","","","1.162","","","","has coordinates","180263","2020-10-21","18:00:00","" "7114938","9.0282","0.0002","9.7091","0.0002","10.3036","0.0002","114.304","0.001","97.646","0.001","99.554","0.001","791.07","0.03","150","2","150","2","","","","","","","","5","P 1","P 1","1","","","","- C39 H42 B N O -","- C39 H42 B N O -","- C39 H42 B N O -","1","1","","Graham, Mark A.; Thornton-Pett, Mark; Rayner, Christopher M.; Wadsworth, Alan H.","Tandem cationic cyclisation‒aziridinium ion formation‒nucleophilic ring opening: new methodology for the stereocontrolled synthesis of substituted pyrrolidines","Chemical Communications","2001","","11","966","","10.1039/b102124i","","","0.71073","MoKα","","0.0453","0.0417","","","0.1014","0.1043","","","","","","1.052","","","","has coordinates","180263","2020-10-21","18:00:00","" "7114939","21.44","0.002","17.254","0.0013","14.121","0.0013","90","","103","0.009","90","","5089.8","0.8","183","2","183","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","Li-alkoxid","","","- C36 H84 Li6 O2 P6 -","- C36 H84 Li6 O2 P6 -","- C144 H336 Li24 O8 P24 -","4","0.5","","Feustel, Alexander; Müller, Gerhard","A multidentate phosphinoalkoxide ligand as a building block in mixed polylithium aggregates","Chemical Communications","2001","","11","1024","","10.1039/b010115j","","","0.71073","MoKα","","0.0779","0.0465","","","0.1193","0.1322","","","","","","1.045","","","","has coordinates","180263","2020-10-21","18:00:00","" "7114940","9.0869","0.0019","11.851","0.002","15.175","0.003","81.323","0.007","89.812","0.007","73.27","0.02","1545.7","0.5","183","2","183","2","","","","","","","","5","P -1","-P 1","2","Alkoxid-Li3-Dianion","","","- C20 H45 Li3 O P6 -","- C20 H45 Li3 O P6 -","- C40 H90 Li6 O2 P12 -","2","1","","Feustel, Alexander; Müller, Gerhard","A multidentate phosphinoalkoxide ligand as a building block in mixed polylithium aggregates","Chemical Communications","2001","","11","1024","","10.1039/b010115j","","","0.71073","MoKα","","0.0479","0.0395","","","0.1132","0.1195","","","","","","1.036","","","","has coordinates","180263","2020-10-21","18:00:00","" "7114941","10.2007","0.0015","14.417","0.004","23.195","0.006","90","","95.91","0.03","90","","3393","1.4","296","2","296","2","","","","","","","synthesised by authors","7","P 1 21/n 1","-P 2yn","14","Ga3F2(OH)4(H2PO4)(HPO4)3 [H3N(CH2)6NH3]2 3.5H2O","","","- C12 H52 F2 Ga3 N4 O23.5 P4 -","- C12 H36 F2 Ga3 N4 O23.5 P4 -","- C48 H144 F8 Ga12 N16 O94 P16 -","4","1","","Livage, Carine; Millange, Franck; Loiseau, Thierry; Simon, Nathalie; Férey, Gérard; Walton, Richard I.; O’Hare, Dermot","Ambient temperature crystallisation of a lamellar gallium fluorophosphate from the synthesis solution of microporous ULM-5","Chemical Communications","2001","","11","994","","10.1039/b102753k","","","0.71073","MoKα","","0.1067","0.0562","","0.1564","0.1319","","","","1.026","1.119","1.119","","","","","has coordinates","176453","2020-10-21","18:00:00","" "7114942","7.617","0.0004","11.084","0.0006","12.36","0.0006","86.392","0.004","73.692","0.004","78.942","0.004","982.89","0.09","294","","294","","","","","","","","","5","P -1","-P 1","2","","","","- C21 H25 N O3 S -","- C21 H25 N O3 S -","- C42 H50 N2 O6 S2 -","2","1","","Ungureanu, Ioana; Klotz, Philippe; Schoenfelder, Angèle; Mann, André","2-Phenyl-N-tosylazetidine as a formal 1,4 dipole precursor","Chemical Communications","2001","","11","958","","10.1039/b101168p","","","0.71073","Mo-Kα","","0.077","0.044","","0.068","","0.057","","","1.549","","","1.295","","","","has coordinates","180263","2020-10-21","18:00:00","" "7114943","9.4881","0.0003","18.6503","0.0008","11.1767","0.0005","90","","101.626","0.008","90","","1937.21","0.15","293","","293","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C22 H27 N O2 S -","- C22 H27 N O2 S -","- C88 H108 N4 O8 S4 -","4","1","","Ungureanu, Ioana; Klotz, Philippe; Schoenfelder, Angèle; Mann, André","2-Phenyl-N-tosylazetidine as a formal 1,4 dipole precursor","Chemical Communications","2001","","11","958","","10.1039/b101168p","","","0.71073","Mo-Kα","","0.104","0.046","","0.122","","0.067","","","2.291","","","1.213","","","","has coordinates","180263","2020-10-21","18:00:00","" "7114944","13.639","0.001","16.006","0.001","22.799","0.001","88.68","0.01","78.12","0.01","68.24","0.01","4515.7","0.6","193","2","293","2","","","","","","","","6","P -1","-P 1","2","[Zn(X6Me3Imme3)(CH3CH2OH)]2+,2(ClO4-)","","","- C89 H120 Cl2 N6 O16 Zn -","- C89 H111 Cl2 N6 O16 Zn -","- C178 H222 Cl4 N12 O32 Zn2 -","2","1","","Sénèque, Olivier; Reinaud, Olivia; Giorgi, Michel","Hydrogen bonding and CH/π interactions for the stabilization of biomimetic zinc complexes: first examples of X-ray characterized alcohol and amide adducts to a tetrahedral dicationic Zn center","Chemical Communications","2001","","11","984","","10.1039/b102322p","","","0.7107","MoKα","","0.1591","0.1126","","","0.3073","0.3457","","","","","","1.349","","","","has coordinates","176453","2020-10-21","18:00:00","" "7114945","23.752","0.001","16.1345","0.0008","27.385","0.001","90","","96.394","0.003","90","","10429.4","0.8","193","2","193","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","[Zn(X6Et3Imet3)(HCONH2)]2+,2(ClO4-)","","","- C105 H133 Cl2 N9 O15 Zn -","- C105 H133 Cl2 N9 O15 Zn -","- C420 H532 Cl8 N36 O60 Zn4 -","4","1","","Sénèque, Olivier; Reinaud, Olivia; Giorgi, Michel","Hydrogen bonding and CH/π interactions for the stabilization of biomimetic zinc complexes: first examples of X-ray characterized alcohol and amide adducts to a tetrahedral dicationic Zn center","Chemical Communications","2001","","11","984","","10.1039/b102322p","","","0.7107","MoKα","","0.1468","0.1199","","","0.2788","0.3002","","","","","","1.143","","","","has coordinates","180263","2020-10-21","18:00:00","" "7114946","13.662","0.002","23.197","0.004","18.914","0.004","90","","110.074","0.003","90","","5630","1.7","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","{Cu6(tib)8(OH)4](OH)8.4CH3OH.22H2O","","","- C37 H54 Cu1.5 N12 O9.5 -","- C37 H37 Cu1.5 N12 O9.5 -","- C148 H148 Cu6 N48 O38 -","4","1","","Liu, Hong-Ke; Tan, Hai-Yan; Liao, Sen; Xiao, Wen; Zhang, Hua-Xin; Yu, Xiao-Lan; Kang, Bei-Sheng; Cai, Ji-Wen; Zhou, Zhong-Yuan; Chan, Albert S. C.","Assembly of a 3D nanoporous framework [Cu6(OH)4(tib)8]n8+ from Cu(ii) and the flexible tripodal ligand tib","Chemical Communications","2001","","11","1008","","10.1039/b100325i","","","0.71073","MoKα","","0.167","0.092","","","0.271","0.3207","","","","","","0.961","","","","has coordinates","176453","2020-10-21","18:00:00","" "7114947","20.685","0.004","7.337","0.002","11.692","0.002","90","","95.73","0.01","90","","1765.6","0.7","296","","","","","","","","","","see text","6","P 1 21/n 1","-P 2yn","14","","","","- C13 H19 Cl Cu N6 O4 -","- C13 H19 Cl Cu N6 O4 -","- C52 H76 Cl4 Cu4 N24 O16 -","4","1","","Maji, Tapas Kumar; Mukherjee, Partha Sarathi; Chaudhuri, Nirmalendu Ray; Mostafa, Golam; Mallah, Talal; Cano-Boquera, Joan","First observation of a ferromagnetic interaction through an end-to-end azido bridging pathway in a 1D copper(ii) system","Chemical Communications","2001","","11","1012","","10.1039/b100529o","","","0.7107","MoKα","","","0.0601","","","","0.0676","","","","","","1.211","","","","has coordinates","180263","2020-10-21","18:00:00","" "7114948","10.9624","0.0013","14.131","0.0016","14.834","0.0017","101.011","0.002","109.568","0.002","94.234","0.002","2101.6","0.4","200","2","200","2","","","","","","","","8","P -1","-P 1","2","NS2-ethanol complex","","","- C36 H46 B Cl N6 O9 S2 Zn -","- C36 H46 B Cl N6 O9 S2 Zn -","- C72 H92 B2 Cl2 N12 O18 S4 Zn2 -","2","1","","Seebacher, Jan; Shu, Mouhai; Vahrenkamp, Heinrich","The best structural model of ADH so far: a pyrazolylbis(thioimidazolyl)borate zinc ethanol complex","Chemical Communications","2001","","11","1026","","10.1039/b100281n","","","0.71073","MoKα","","0.1297","0.0606","","","0.1523","0.1872","","","","","","0.939","","","","has coordinates","180263","2020-10-21","18:00:00","" "7114949","8.607","0.003","24.591","0.008","15.941","0.004","90","","90","","90","","3374","1.8","293","","293","","","","","","","","","6","C m c m","-C 2c 2","63","","","","- C26 H40 Cr3 N2 O10 Se2 -","- C34 H56 Cr3 N2 O10 Se2 -","- C136 H224 Cr12 N8 O40 Se8 -","4","0.25","","Shieh, Minghuey; Ho, Li-Fang; Jang, Li-Fing; Ueng, Chuen-Her; Peng, Shie-Ming; Liu, Yi-Huang","First selenium-capped carbonyltrichromium complex [Se2Cr3(CO)10]2−: a novel Cr3 ring cluster","Chemical Communications","2001","","11","1014","","10.1039/b101283p","","","0.7093","MolybdenumKα","","0.132","0.059","","0.049","0.047","","","","","2.33","2.33","","","","","has coordinates","176453","2020-10-21","18:00:00","" "7114950","24.8153","0.0003","16.0695","0.0003","8.6204","0.0002","90","","90","","90","","3437.55","0.11","295","2","295","2","","","","","","","","7","P n n a","-P 2a 2bc","52","","","","- C26 H40 Cr2 Mo N2 O10 Se2 -","- C26 H40 Cr2 Mo N2 O10 Se2 -","- C104 H160 Cr8 Mo4 N8 O40 Se8 -","4","0.5","","Shieh, Minghuey; Ho, Li-Fang; Jang, Li-Fing; Ueng, Chuen-Her; Peng, Shie-Ming; Liu, Yi-Huang","First selenium-capped carbonyltrichromium complex [Se2Cr3(CO)10]2−: a novel Cr3 ring cluster","Chemical Communications","2001","","11","1014","","10.1039/b101283p","","","0.71073","MoKα","","0.0774","0.0495","","0.1697","0.1442","","","","1.098","1.167","1.167","","","","","has coordinates","180263","2020-10-21","18:00:00","" "7114951","14.456","0.002","28.797","0.003","25.34","0.003","90","","91.27","0.02","90","","10546","2","301","2","301","2","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C108 H97 B2 Cl4 Cu4 F8 P9 -","- C108 H97 B2 Cl4 Cu4 F8 P9 -","- C432 H388 B8 Cl16 Cu16 F32 P36 -","4","1","","Wing-Wah Yam, Vivian; Chung-Chin Cheng, Eddie; Zhu, Nianyong","The first luminescent tetranuclear copper(i) μ4-phosphinidene complex","Chemical Communications","2001","","11","1028","","10.1039/b101284n","","","0.71073","MoKα","","0.0601","0.0513","","","0.1381","0.1484","","","","","","1.028","","","","has coordinates","180263","2020-10-21","18:00:00","" "7114952","9.774","0.0003","12.275","0.0004","16.359","0.0005","69.217","0.002","84.584","0.002","82.626","0.002","1817.27","0.1","123","2","123","2","","","","","","","","4","P -1","-P 1","2","","","","- C38 H46 N4 O8 -","- C38 H46 N4 O8 -","- C76 H92 N8 O16 -","2","1","","Sessler, Jonathan L.; Shevchuk, Sergiy V.; Callaway, Wyeth; Lynch, Vincent","A one-step synthesis of a free base secochlorin from a 2,3-dimethoxy porphyrin","Chemical Communications","2001","","11","968","","10.1039/b102139g","","","0.71073","MoKα","","0.0941","0.0498","","0.1136","0.0981","","","","1.048","1.147","1.147","","","","","has coordinates","180263","2020-10-21","18:00:00","" "7114953","7.886","0.0006","15.5844","0.0011","16.2399","0.0012","90","","90","","90","","1995.9","0.3","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C8 H6 N4 Ni S2 -","- C8 H6 N4 Ni S2 -","- C64 H48 N32 Ni8 S16 -","8","1","","Zhao, Yingjun; Hong, Maochun; Liang, Yucang; Cao, Rong; Weng, Jiabao; Lu, Shaofang; Li, Wenjie","A paramagnetic lamellar polymer with a high semiconductivity","Chemical Communications","2001","","11","1020","","10.1039/b101422f","","","0.71073","MoKα","","0.0502","0.0374","","","0.0949","0.1028","","","","","","1.017","","","","has coordinates","180263","2020-10-21","18:00:00","" "7114954","17.1197","0.0005","10.5016","0.0004","18.8343","0.0004","90","","98.535","0.002","90","","3348.61","0.18","180","2","180","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C25 H49 Li3 N7 P3 -","- C25 H49 Li3 N7 P3 -","- C100 H196 Li12 N28 P12 -","4","1","","Bond, Andrew D.; Doyle, Emma L.; Kidd, Sara J.; Woods, Anthony D.; Wright, Dominic S.","Cooperative cation and anion coordination by a bifunctional imidophosphorane ligand framework; syntheses and structures of [LiCl{ButNHP(μ-NBut)2PNH(2-py)}3] and [{ButNP(μ-NBut)2PN(2-py)} Li2·{Li(ButN)2P}]","Chemical Communications","2001","","8","777","","10.1039/b010093p","","","0.71069","MoKα","","0.1015","0.0723","","","0.1848","0.2071","","","","","","1.046","","","","has coordinates,has disorder","180263","2020-10-21","18:00:00","" "7114955","22.563","0.002","22.563","0.002","23.803","0.001","90","","90","","120","","10494.4","1.4","230","2","230","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C51 H99 Cl Li N15 P6 -","- C51 H99 Cl Li N15 P6 -","- C306 H594 Cl6 Li6 N90 P36 -","6","0.333333","","Bond, Andrew D.; Doyle, Emma L.; Kidd, Sara J.; Woods, Anthony D.; Wright, Dominic S.","Cooperative cation and anion coordination by a bifunctional imidophosphorane ligand framework; syntheses and structures of [LiCl{ButNHP(μ-NBut)2PNH(2-py)}3] and [{ButNP(μ-NBut)2PN(2-py)} Li2·{Li(ButN)2P}]","Chemical Communications","2001","","8","777","","10.1039/b010093p","","","0.71069","MoKα","","0.1816","0.0655","","","0.1353","0.1763","","","","","","1.01","","","","has coordinates,has disorder","180263","2020-10-21","18:00:00","" "7114956","15.714","0.003","21.797","0.004","22.38","0.005","68.33","0.03","78.78","0.03","79.56","0.03","6937","3","293","2","293","2","","","","","","","","8","P -1","-P 1","2","","","","- C138 H146 F12 N4 O29 P4 Pt2 S4 -","- C137.778 H121.334 F12 N4 O27.889 P4 Pt2 S4 -","- C275.556 H242.668 F24 N8 O55.778 P8 Pt4 S8 -","2","1","","Kim, Tae Woo; Hong, Jong-In; Lah, Myoung Soo","Self-discrimination of the racemic ligands in the self-assembly of [{(dppp)Pt(L)}2]4+","Chemical Communications","2001","","8","743","","10.1039/b100329l","","","0.71073","MoKα","","0.083","0.0522","","","0.1202","0.1388","","","","","","1.02","","","","has coordinates","180263","2020-10-21","18:00:00","" "7114957","22.153","0.002","10.8606","0.001","42.785","0.004","90","","90.675","0.007","90","","10293.1","1.6","203","2","203","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C64.5 H58 Ni O P2 -","- C64.5 H58 Ni O P2 -","- C516 H464 Ni8 O8 P16 -","8","2","","Gibson, Vernon C.; Tomov, Atanas; White, Andrew J. P.; Williams, David J.","The effect of bulky substituents on the olefin polymerisation behaviour of nickel catalysts bearing [P,O] chelate ligands","Chemical Communications","2001","","8","719","","10.1039/b101582f","","","1.54178","CuKα","","0.07","0.0502","","0.1399","0.1217","","","","1.037","1.076","1.076","","","","","has coordinates","176453","2020-10-21","18:00:00","" "7114958","19.67","0.008","9.503","0.002","28.757","0.003","90","","103.223","0.017","90","","5233","2","293","","293","","","","","","","","?","4","P 1 21/c 1","-P 2ybc","14","","","","- C28 H16 O6 S4 -","- C28 H16 O6 S4 -","- C224 H128 O48 S32 -","8","2","","Lhoták, Pavel; Dudič, Miroslav; Stibor, Ivan; Petříčková, Hana; Sýkora, Jan; Hodačová, Jana","Unprecedented formation of lactone derivatives in thiacalix[4]arene series","Chemical Communications","2001","","8","731","","10.1039/b100906k","","","1.5418","CuKα","","","0.0821","","","","0.0735","","","","","","1.0669","","","","has coordinates","211332","2020-10-21","18:00:00","" "7114959","20.044","0.001","10.731","0.001","20.49","0.001","90","","102.17","0.006","90","","4308.2","0.5","293","","293","","","","","","","","?","4","P 1 21/c 1","-P 2ybc","14","","","","- C44 H48 O6 S4 -","- C44 H48 O6 S4 -","- C176 H192 O24 S16 -","4","1","","Lhoták, Pavel; Dudič, Miroslav; Stibor, Ivan; Petříčková, Hana; Sýkora, Jan; Hodačová, Jana","Unprecedented formation of lactone derivatives in thiacalix[4]arene series","Chemical Communications","2001","","8","731","","10.1039/b100906k","","","1.5418","CuKα","","","0.0756","","","","0.0829","","","","","","0.9649","","","","has coordinates","211332","2020-10-21","18:00:00","" "7114960","23.894","0.002","13.89","0.0009","20.034","0.0009","90","","114.882","0.003","90","","6031.8","0.7","150","","150","","","","","","","","[Ti(N-t-Bu){HC(Me2pz)3}Cl2] + MeLi in THF","6","C 1 2/c 1","-C 2yc","15","","[Ti(N-t-Bu){C(Me2pz)3}Cl(THF)]","","- C27.5 H42 Cl N7 O Ti -","- C27.5 H42 Cl N7 O Ti -","- C220 H336 Cl8 N56 O8 Ti8 -","8","1","","Lawrence, Sally C.; Skinner, Michael E. G.; Green, Jennifer C.; Mountford, Philip","A structurally characterised, naked sp3-hybridised carbanion in the zwitterionic imido complex [Ti(NBut){C(Me2pz)3}Cl(THF)] (HMe2pz = 3,5-dimethylpyrazole)","Chemical Communications","2001","","8","705","","10.1039/b100315l","","","0.71069","MoKα","","","0.0412","","","0.0573","","","","","1.0753","1.0753","","","","","has coordinates","288252","2023-12-12","14:26:25","" "7114961","12.942","0.002","12.338","0.002","23.711","0.007","90","","98.64","0.02","90","","3743.2","1.4","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C38 H48 Cl4 P2 Pt -","- C38 H48 Cl4 P2 Pt -","- C152 H192 Cl16 P8 Pt4 -","4","1","","Dossett, Stephen J.; Wass, Duncan F.; Jones, Matthew D.; Gillon, Amy; Orpen, A. Guy; Fleming, James S.; Pringle, Paul G.","Steric activation of chelate catalysts: efficient polyketone catalysts based on four-membered palladium(ii) diphosphine chelates","Chemical Communications","2001","","8","699","","10.1039/b010063n","","","0.71073","MoKα","","0.0272","0.022","","","0.0512","0.052","","","","","","1.085","","","","has coordinates","180263","2020-10-21","18:00:00","" "7114962","14.3634","0.0019","27.535","0.004","7.2722","0.001","90","","90","","90","","2876.1","0.7","293","2","293","2","","","","","","","","4","I b a m","-I 2 2c","72","","","","- C32 H32 N2 O8 -","- C32 H24 N2 O8 -","- C128 H96 N8 O32 -","4","0.25","","Che, Chi-Ming; Wan, Chun-Wai; Lin, Wei-Zhu; Yu, Wing-Yiu; Zhou, Zhong-Yuan; Lai, W.-Y.; Lee, S.-T.","Highly luminous substituted bipyrroles","Chemical Communications","2001","","8","721","","10.1039/b009687n","","","0.71073","MoKα","","0.0901","0.0536","","","0.1484","0.1674","","","","","","0.963","","","","has coordinates","180263","2020-10-21","18:00:00","" "7114963","16.2726","0.0004","8.9587","0.0002","39.2903","0.0005","90","","96.253","0.001","90","","5693.7","0.2","293","2","293","2","","","","","","","","8","C 1 c 1","C -2yc","9","","","","- C42 H60 Cl4 F12 N8 O4 P2 Pt -","- C42 H60 Cl4 F12 N8 O4 P2 Pt -","- C168 H240 Cl16 F48 N32 O16 P8 Pt4 -","4","1","","Bondy, Chantelle R.; Loeb, Stephen J.; Gale, Philip A.","Platinum(ii) nicotinamide complexes as receptors for oxo-anions","Chemical Communications","2001","","8","729","","10.1039/b101440o","","","0.71073","MoKα","","0.1062","0.0698","","","0.1518","0.1714","","","","","","1.028","","","","has coordinates","180263","2020-10-21","18:00:00","" "7114964","10.1818","0.0014","14.618","0.002","17.408","0.002","72.888","0.003","88.487","0.003","71.773","0.002","2345.9","0.5","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C56 H42 N8 O12 Pt Re2 -","- C40 H56 N8 O12 Pt Re2 -","- C80 H112 N16 O24 Pt2 Re4 -","2","1","","Bondy, Chantelle R.; Loeb, Stephen J.; Gale, Philip A.","Platinum(ii) nicotinamide complexes as receptors for oxo-anions","Chemical Communications","2001","","8","729","","10.1039/b101440o","","","0.71073","MoKα","","0.0369","0.031","","","0.0802","0.0844","","","","","","1.033","","","","has coordinates","180263","2020-10-21","18:00:00","" "7114965","14.3045","0.0013","14.9809","0.0013","19.1578","0.0017","68.628","0.002","80.126","0.002","73.762","0.002","3659.5","0.6","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C42 H41 Fe O1.25 -","- C42 H41 Fe O1.25 -","- C168 H164 Fe4 O5 -","4","2","","Laskoski, Matthew; Steffen, Winfried; Smith, Mark D.; Bunz, Uwe H. F.","Is ferrocene more aromatic than benzene?","Chemical Communications","2001","","8","691","","10.1039/b009696m","","","0.71073","MoKα","","0.1122","0.0712","","","0.1962","0.2221","","","","","","1.016","","","","has coordinates,has disorder","180263","2020-10-21","18:00:00","" "7114966","11.7194","0.0008","16.5664","0.0011","17.0129","0.0012","79.135","0.001","79.518","0.001","74.557","0.001","3096.3","0.4","211","2","211","2","","","","","","","","5","P -1","-P 1","2","","","","- C35.5 H27 Cl3 Fe O4 -","- C35.5 H27 Cl3 Fe O4 -","- C142 H108 Cl12 Fe4 O16 -","4","2","","Laskoski, Matthew; Steffen, Winfried; Smith, Mark D.; Bunz, Uwe H. F.","Is ferrocene more aromatic than benzene?","Chemical Communications","2001","","8","691","","10.1039/b009696m","","","0.71073","MoKα","","0.0821","0.0613","","","0.1785","0.1917","","","","","","1.017","","","","has coordinates","176453","2020-10-21","18:00:00","" "7114967","10.5161","0.0005","11.3542","0.0007","18.823","0.002","82.191","0.004","79.886","0.003","63.025","0.002","1967.8","0.3","153","2","153","2","","","","","","","","3","P -1","-P 1","2","","","","- C96 H120 O12 -","- C96 H120 O12 -","- C96 H120 O12 -","1","0.5","","Hennrich, Gunther; Lynch, Vincent M.; Anslyn, Eric V.","A cascade of reactions involving anchimeric assistance leads to a highly 'crowded' hexa(alkylcarboxy)benzeneElectronic supplementary data (ESI) available: general methods, materials and X-ray data. See http://www.rsc.org/suppdata/cc/b1/b105569k/","Chemical Communications","2001","","23","2436","","10.1039/b105569k","","","0.71073","MoKα","","0.2235","0.1093","","","0.1838","0.2334","","","","","","1.101","","","","has coordinates","180263","2020-10-21","18:00:00","" "7114968","4.905","0.001","40.139","0.001","6.289","0.001","90","","106.48","0.01","90","","1187.3","0.3","273.2","","","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C22 H44 N O8 -","- C22 H41 N O8 -","- C44 H82 N2 O16 -","2","1","","Masuda, Mitsutoshi; Shimizu, Toshimi","Multilayer structure of an unsymmetrical monolayer lipid membrane with a ‘head-to-tail’ interface","Chemical Communications","2001","","23","2442","","10.1039/b106581p","","","1.5418","CuKα","","","0.0304","","","","0.047","","","","","","1.27","","","","has coordinates","176453","2020-10-21","18:00:00","" "7114969","19.07","0.003","19.07","0.003","5.6631","0.0011","90","","90","","90","","2059.5","0.6","173","2","173","2","","","","","","","","3","P 4/n :2","-P 4a","85","p-benzylcalix[4]arene","tetra-benzyl-tetra-hydroxycalix[4]arene","","- C56 H48 O4.5 -","- C56 H48 O4.5 -","- C112 H96 O9 -","2","0.25","","Makha, Mohamed; Raston, Colin L.","Synthesis of p-benzylcalix[4]arene and its sulfonated water soluble derivative","Chemical Communications","2001","","23","2470","","10.1039/b106161p","","","0.71073","MoKα","","0.0591","0.0455","","","0.1166","0.1245","","","","","","1.079","","","","has coordinates","176453","2020-10-21","18:00:00","" "7114970","7.599","0.002","29.271","0.006","9.106","0.002","90","","106.611","0.004","90","","1940.9","0.8","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H18 N2 O4 -","- C24 H18 N2 O4 -","- C96 H72 N8 O16 -","4","1","","Papaefstathiou, Giannis S.; Kipp, Alex J.; MacGillivray, Leonard R.","Exploiting modularity in template-controlled synthesis: a new linear template to direct reactivity within discrete hydrogen-bonded molecular assemblies in the solid state","Chemical Communications","2001","","23","2462","","10.1039/b106584j","","","0.7107","MoKα","","0.1023","0.053","","0.1394","0.1197","","","","0.846","1.014","1.014","","","","","has coordinates,has disorder","180263","2020-10-21","18:00:00","" "7114971","7.3027","0.001","23.187","0.003","11.4249","0.001","90","","98.07","0.003","90","","1915.4","0.4","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H18 N2 O4 -","- C24 H18 N2 O4 -","- C96 H72 N8 O16 -","4","1","","Papaefstathiou, Giannis S.; Kipp, Alex J.; MacGillivray, Leonard R.","Exploiting modularity in template-controlled synthesis: a new linear template to direct reactivity within discrete hydrogen-bonded molecular assemblies in the solid state","Chemical Communications","2001","","23","2462","","10.1039/b106584j","","","0.7107","MoKα","","0.0353","0.0307","","0.0995","0.0849","","","","0.979","0.878","0.878","","","","","has coordinates","180263","2020-10-21","18:00:00","" "7114972","8.377","0.002","11.294","0.002","11.685","0.002","99.45","0.03","105.12","0.03","109.73","0.03","965.1","0.5","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C48 H36 N4 O4 -","- C48 H36 N4 O8 -","- C48 H36 N4 O8 -","1","0.5","","Papaefstathiou, Giannis S.; Kipp, Alex J.; MacGillivray, Leonard R.","Exploiting modularity in template-controlled synthesis: a new linear template to direct reactivity within discrete hydrogen-bonded molecular assemblies in the solid state","Chemical Communications","2001","","23","2462","","10.1039/b106584j","","","0.7107","MoKα","","0.0574","0.0494","","0.1296","0.1224","","","","1.025","1.051","1.051","","","","","has coordinates","180263","2020-10-21","18:00:00","" "7114973","10.0592","0.0002","15.4694","0.0004","12.4151","0.0003","90","","97.404","0.0011","90","","1915.8","0.08","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C48 H36 N4 O4 -","- C48 H36 N4 O8 -","- C96 H72 N8 O16 -","2","0.5","","Papaefstathiou, Giannis S.; Kipp, Alex J.; MacGillivray, Leonard R.","Exploiting modularity in template-controlled synthesis: a new linear template to direct reactivity within discrete hydrogen-bonded molecular assemblies in the solid state","Chemical Communications","2001","","23","2462","","10.1039/b106584j","","","0.7107","MoKα","","0.0519","0.0423","","0.1103","0.1034","","","","1.077","1.111","1.111","","","","","has coordinates,has disorder","180263","2020-10-21","18:00:00","" "7114974","17.841","0.008","17.841","0.008","14.008","0.003","90","","90","","90","","4459","3","293","2","293","2","","","","","","","","5","P 4/n :2","-P 4a","85","","","","- C72 H93 N18 Ni9 O32.5 -","- C72 H84 N18 Ni9 O32.5 -","- C144 H168 N36 Ni18 O65 -","2","0.25","","Papaefstathiou, Giannis S.; Escuer, Albert; Vicente, Ramon; Font-Bardia, Merce; Solans, Xavier; Perlepes, Spyros P.","Reactivity in polynuclear transition metal chemistry as a means to obtain high-spin molecules: substitution of µ4-OH‒ by η1,µ4-N3‒ increases nine times the ground-state S value of a nonanuclear nickel(ii) cage","Chemical Communications","2001","","23","2414","","10.1039/b106472j","","","0.71069","MoKα","","0.0666","0.0375","","","0.1052","0.1119","","","","","","0.943","","","","has coordinates","176453","2020-10-21","18:00:00","" "7114975","17.785","0.008","17.785","0.008","27.313","0.003","90","","90","","90","","8639","6","293","2","293","2","","","","","","","","5","P 4/n c c :2","-P 4a 2ac","130","","","","- C60 H96 N8 Ni9 O45 -","- C60 H56 N8 Ni9 O45 -","- C240 H224 N32 Ni36 O180 -","4","0.25","","Papaefstathiou, Giannis S.; Escuer, Albert; Vicente, Ramon; Font-Bardia, Merce; Solans, Xavier; Perlepes, Spyros P.","Reactivity in polynuclear transition metal chemistry as a means to obtain high-spin molecules: substitution of µ4-OH‒ by η1,µ4-N3‒ increases nine times the ground-state S value of a nonanuclear nickel(ii) cage","Chemical Communications","2001","","23","2414","","10.1039/b106472j","","","0.71069","MoKα","","0.1146","0.063","","","0.1703","0.1821","","","","","","0.892","","","","has coordinates","180263","2020-10-21","18:00:00","" "7114976","15.252","0.002","8.516","0.0006","6.1817","0.0007","90","","90","","90","","802.92","0.15","180","2","180","2","","","","","","","","4","P n a 21","P 2c -2n","33","","4-iodo-2,3,5,6-fluoro-benzonitrile","","- C7 F4 I N -","- C7 F4 I N -","- C28 F16 I4 N4 -","4","1","","Bond, Andrew D.; Griffiths, Joanna; Rawson, Jeremy M.; Hulliger, Jürg","Inducing structural polarity using fluorinated organics: X-ray crystal structures of p-XC6F4CN (X = Cl, Br, I)Electronic supplementary data (ESI) available: the crystal structure of p-BrC6F4CN in .pdb format. See http://www.rsc.org/suppdata/cc/b1/b107665p/","Chemical Communications","2001","","23","2488","","10.1039/b107665p","","","0.71073","MoKα","","0.0628","0.0417","","","0.0972","0.1051","","","","","","1.027","","","","has coordinates","180263","2020-10-21","18:00:00","" "7114977","14.6736","0.0012","8.2804","0.0005","6.1368","0.0005","90","","90","","90","","745.64","0.1","180","2","180","2","","","","","","","","4","P n a 21","P 2c -2n","33","","4-bromo-2,3,5,6-fluorobenzonitrile","","- C7 Br F4 N -","- C7 Br F4 N -","- C28 Br4 F16 N4 -","4","1","","Bond, Andrew D.; Griffiths, Joanna; Rawson, Jeremy M.; Hulliger, Jürg","Inducing structural polarity using fluorinated organics: X-ray crystal structures of p-XC6F4CN (X = Cl, Br, I)Electronic supplementary data (ESI) available: the crystal structure of p-BrC6F4CN in .pdb format. See http://www.rsc.org/suppdata/cc/b1/b107665p/","Chemical Communications","2001","","23","2488","","10.1039/b107665p","","","0.71073","MoKα","","0.0673","0.0447","","","0.0908","0.1002","","","","","","1.066","","","","has coordinates","180263","2020-10-21","18:00:00","" "7114978","11.7854","0.0009","6.23","0.0004","10.0333","0.0004","90","","90","","90","","736.68","0.08","180","2","180","2","","","","","","","","4","P c a 21","P 2c -2ac","29","4-chloro-2,3,5,6-fluorobenzonitrile","","","- C7 Cl F4 N -","- C7 Cl F4 N -","- C28 Cl4 F16 N4 -","4","1","","Bond, Andrew D.; Griffiths, Joanna; Rawson, Jeremy M.; Hulliger, Jürg","Inducing structural polarity using fluorinated organics: X-ray crystal structures of p-XC6F4CN (X = Cl, Br, I)Electronic supplementary data (ESI) available: the crystal structure of p-BrC6F4CN in .pdb format. See http://www.rsc.org/suppdata/cc/b1/b107665p/","Chemical Communications","2001","","23","2488","","10.1039/b107665p","","","0.71073","MoKα","","0.041","0.0349","","0.098","0.0936","","","","1.059","1.066","1.066","","","","","has coordinates","180263","2020-10-21","18:00:00","" "7114979","8.4891","0.0002","17.538","0.0003","14.1931","0.0002","90","","93.9331","0.0007","90","","2108.12","0.07","198","2","198","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C16 H18 O5 -","- C16 H18 O5 -","- C96 H108 O30 -","6","3","","Evans, P. Andrew; Raina, Sushil; Ahsan, Khalid","Intramolecular addition of acyl radicals to α-substituted vinylogous carbonates: demonstrating the effect of ring size on acyclic stereocontrolElectronic supplementary information (ESI) available: spectral data (IR, 1H and 13C NMR) and high resolution MS for 1/2a-c, 7‒10. See http://www.rsc.org/suppdata/cc/b1/b106766b/","Chemical Communications","2001","","23","2504","","10.1039/b106766b","","","0.71073","MoKα","","0.0581","0.0444","","0.1292","0.1093","","","","0.904","0.939","0.939","","","","","has coordinates","180263","2020-10-21","18:00:00","" "7114980","19.351","0.0015","12.8027","0.0009","13.1887","0.001","90","","90","","90","","3267.4","0.4","293","2","293","2","","","","","","","","5","P n n m","-P 2 2n","58","","","","- Cs1.17 H0.78 O5.94 Si0.5 V1.94 -","- Cs1.16778 O5.94444 Si0.502222 V1.94222 -","- Cs21.02 O107 Si9.04 V34.96 -","18","2.25","","Wang, Xiqu; Liu, Lumei; Zhang, Ge; Jacobson, Allan J.","An extended chain structure formed by covalently linking polyoxovanadate cages with tetrahedral six rings","Chemical Communications","2001","","23","2472","","10.1039/b108303a","","","0.71073","MoKα","","0.1427","0.0547","","0.167","0.1333","","","","0.936","1.112","1.112","","","","","has coordinates","176453","2020-10-21","18:00:00","" "7114981","7.8433","0.0015","10.5221","0.0014","10.8374","0.0012","76.796","0.01","77.881","0.012","80.354","0.013","844.6","0.2","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C6 H14 B2 Cu F8 N12 O -","- C6 H14 B2 Cu F8 N12 O -","- C12 H28 B4 Cu2 F16 N24 O2 -","2","1","","Drabent, Krzysztof; Ciunik, Zbigniew","Counter anion dependent symmetry of CuII‒4-amino-1,2,4-triazole polymeric chains","Chemical Communications","2001","","14","1254","","10.1039/b101936h","","","0.71073","MoKα","","0.0678","0.0546","","","0.1107","0.1158","","","","","","1.15","","","","has coordinates","180263","2020-10-21","18:00:00","" "7114982","10.285","0.002","11.727","0.002","15.521","0.003","104.99","0.03","91.45","0.03","103.49","0.03","1751.1","0.7","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C12 H32 B2 Cu2 F14 N24 O4 Si -","- C12 H26 B2 Cu2 F14 N24 O4 Si -","- C24 H52 B4 Cu4 F28 N48 O8 Si2 -","2","1","","Drabent, Krzysztof; Ciunik, Zbigniew","Counter anion dependent symmetry of CuII‒4-amino-1,2,4-triazole polymeric chains","Chemical Communications","2001","","14","1254","","10.1039/b101936h","","","0.71073","MoKα","","0.1038","0.057","","","0.1552","0.1742","","","","","","0.972","","","","has coordinates","180263","2020-10-21","18:00:00","" "7114983","12.417","0.002","13.15","0.003","18.03","0.004","73.63","0.03","72.64","0.03","70.28","0.03","2590.8","1.1","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C18 H52 Cu3 F18 N36 O8 Si3 -","- C18 H50 Cu3 F18 N36 O8 Si3 -","- C36 H100 Cu6 F36 N72 O16 Si6 -","2","1","","Drabent, Krzysztof; Ciunik, Zbigniew","Counter anion dependent symmetry of CuII‒4-amino-1,2,4-triazole polymeric chains","Chemical Communications","2001","","14","1254","","10.1039/b101936h","","","0.71073","MoKα","","0.0868","0.0511","","","0.142","0.1575","","","","","","0.93","","","","has coordinates","180263","2020-10-21","18:00:00","" "7114984","22.7641","0.0008","13.3249","0.0003","19.5994","0.0008","90","","90","","90","","5945.1","0.3","150","2","150","2","","","","","","","","7","P n a 21","P 2c -2n","33","complex1c","","","- C60 H56 Au2 Cl4 F6 O4 P4 -","- C60 H56 Au2 Cl4 F6 O4 P4 -","- C240 H224 Au8 Cl16 F24 O16 P16 -","4","1","","Brandys, Marie-Claude; Puddephatt, Richard J.","Polymers and rings in gold(I) diphosphine complexes: linking gold rings through aurophilic interactions","Chemical Communications","2001","","14","1280","","10.1039/b103020p","","","0.71073","MoKα","","0.1602","0.0739","","","0.1787","0.2045","","","","","","0.923","","","","has coordinates","188979","2020-10-21","18:00:00","" "7114985","6.757","0.0001","11.7756","0.0003","20.3694","0.0005","90","","93.629","0.001","90","","1617.5","0.06","300","2","300","2","","","","","","","","6","P 1 c 1","P -2yc","7","complex2","","","- C30 H28 Au F3 O2 P2 -","- C29.4 H28 Au F2.1 O1.4 P2 -","- C58.8 H56 Au2 F4.2 O2.8 P4 -","2","1","","Brandys, Marie-Claude; Puddephatt, Richard J.","Polymers and rings in gold(i) diphosphine complexes: linking gold rings through aurophilic interactions","Chemical Communications","2001","","14","1280","","10.1039/b103020p","","","0.71073","MoKα","","0.0935","0.0752","","","0.2057","0.2165","","","","","","0.997","","","","has coordinates","180263","2020-10-21","18:00:00","" "7114986","22.0389","0.001","7.4488","0.0003","18.3838","0.0006","90","","122.193","0.002","90","","2553.96","0.18","200","2","200","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","complex3a","","","- C27 H22 Au2 N2 P2 -","- C27 H22 Au2 N2 P2 -","- C108 H88 Au8 N8 P8 -","4","0.5","","Brandys, Marie-Claude; Puddephatt, Richard J.","Polymers and rings in gold(i) diphosphine complexes: linking gold rings through aurophilic interactions","Chemical Communications","2001","","14","1280","","10.1039/b103020p","","","0.71073","MoKα","","0.0465","0.0364","","","0.0883","0.0929","","","","","","0.958","","","","has coordinates","180263","2020-10-21","18:00:00","" "7114987","12.597","0.001","11.402","0.0009","19.258","0.0014","90","","108.34","0.06","90","","2625.5","1","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","complex3b","","","- C28 H24 Au2 N2 P2 -","- C28 H24 Au2 N2 P2 -","- C112 H96 Au8 N8 P8 -","4","1","","Brandys, Marie-Claude; Puddephatt, Richard J.","Polymers and rings in gold(i) diphosphine complexes: linking gold rings through aurophilic interactions","Chemical Communications","2001","","14","1280","","10.1039/b103020p","","","0.71073","MoKα","","0.0811","0.0641","","","0.1676","0.1903","","","","","","1.114","","","","has coordinates","180263","2020-10-21","18:00:00","" "7114988","26.8597","0.001","17.4247","0.001","28.0257","0.0015","90","","96.439","0.004","90","","13033.9","1.1","200","2","200","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","complex4","","","- C58 H52 Au4 N4 P4 -","- C58 H52 Au4 N4 P4 -","- C464 H416 Au32 N32 P32 -","8","2","","Brandys, Marie-Claude; Puddephatt, Richard J.","Polymers and rings in gold(I) diphosphine complexes: linking gold rings through aurophilic interactions","Chemical Communications","2001","","14","1280","","10.1039/b103020p","","","0.71073","MoKα","","0.1973","0.1357","","","0.3699","0.4081","","","","","","1.053","","","","has coordinates","188980","2020-10-21","18:00:00","" "7114989","13.7149","0.0003","25.056","0.0011","19.4449","0.0008","90","","97.46","0.02","90","","6625.5","0.5","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","complex5","","","- C62 H60 Au4 N4 P4 -","- C49.6 H48 Au3.2 N3.2 P3.2 -","- C248 H240 Au16 N16 P16 -","5","1.25","","Brandys, Marie-Claude; Puddephatt, Richard J.","Polymers and rings in gold(i) diphosphine complexes: linking gold rings through aurophilic interactions","Chemical Communications","2001","","14","1280","","10.1039/b103020p","","","0.71073","MoKα","","0.1083","0.0561","","","0.1633","0.1886","","","","","","1.022","","","","has coordinates","180263","2020-10-21","18:00:00","" "7114990","11.633","0.0002","14.1304","0.0002","20.7165","0.0002","91.8195","0.0006","95.845","0.0008","110.12","0.0004","3172.77","0.08","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C56 H49 Cl3 Co4 N11 O27 -","- C56 H40 Cl3 Co4 N11 O27 -","- C112 H80 Cl6 Co8 N22 O54 -","2","1","","Dimitrou, Katerina; Brown, Angelica D.; Christou, George; Concolino, Thomas E.; Rheingold, Arnold L.","Mixed-valence, tetranuclear cobalt(iii,iv) complexes: preparation and properties of [Co4O4(O2CR)2(bpy)4]3+ salts","Chemical Communications","2001","","14","1284","","10.1039/b102008k","","","0.71073","MoKα","","0.0846","0.0696","","","0.2089","0.2279","","","","","","1.75","","","","has coordinates","180263","2020-10-21","18:00:00","" "7114991","10.336","0.001","11.899","0.001","21.761","0.003","97.12","0.01","102.2","0.01","108.51","0.01","2427.3","0.5","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C50 H52 O14 W -","- C49.94 H30 O14 W -","- C99.88 H60 O28 W2 -","2","1","","Vaid, Thomas P.; Sydora, Orson L.; Douthwaite, Richard E.; Wolczanski, Peter T.; Lobkovsky, Emil B.","Hydrogen bonds between polyphenol (p-HOC6H4O)6W and bipyridines: (4,4′-bipy·HOC6H4O)6W and 3-D networks [{4,4′-(NC5H4)2(CH2CH2)}n{(HOC6H4O)6W}]∞(n = 2, 3)","Chemical Communications","2001","","14","1300","","10.1039/b100561h","","","0.71073","MoKα","","0.0414","0.0326","","0.0987","0.0835","","","","1.009","0.986","0.986","","","","","has coordinates","180263","2020-10-21","18:00:00","" "7114992","9.5723","0.0003","11.2623","0.0004","26.9897","0.0009","86.938","0.001","83.598","0.001","88.504","0.001","2886.79","0.17","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C60 H54 N4 O12 W -","- C60 H54 N4 O12 W -","- C120 H108 N8 O24 W2 -","2","1","","Vaid, Thomas P.; Sydora, Orson L.; Douthwaite, Richard E.; Wolczanski, Peter T.; Lobkovsky, Emil B.","Hydrogen bonds between polyphenol (p-HOC6H4O)6W and bipyridines: (4,4′-bipy·HOC6H4O)6W and 3-D networks [{4,4′-(NC5H4)2(CH2CH2)}n{(HOC6H4O)6W}]∞(n = 2, 3)","Chemical Communications","2001","","14","1300","","10.1039/b100561h","","","0.71073","MoKα","","0.108","0.0802","","","0.1932","0.2117","","","","","","1.23","","","","has coordinates,has disorder","180263","2020-10-21","18:00:00","" "7114993","27.1402","0.0001","27.1402","0.0001","9.7013","0.0001","90","","90","","120","","6188.52","0.07","173","2","173","2","","","","","","","","5","R 3 :H","R 3","146","","","","- C96 H78 N12 O12 W -","- C48 H39 N6 O6 W0.5 -","- C288 H234 N36 O36 W3 -","6","0.666667","","Vaid, Thomas P.; Sydora, Orson L.; Douthwaite, Richard E.; Wolczanski, Peter T.; Lobkovsky, Emil B.","Hydrogen bonds between polyphenol (p-HOC6H4O)6W and bipyridines: (4,4′-bipy·HOC6H4O)6W and 3-D networks [{4,4′-(NC5H4)2(CH2CH2)}n{(HOC6H4O)6W}]∞(n = 2, 3)","Chemical Communications","2001","","14","1300","","10.1039/b100561h","","","0.71073","MoKα","","0.0387","0.0332","","0.0825","0.0772","","","","0.577","0.571","0.571","","","","","has coordinates","176453","2020-10-21","18:00:00","" "7114994","25.132","0.003","11.6991","0.0018","25.988","0.004","90","","104.724","0.003","90","","7390.1","1.8","295","2","295","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C76 H74 N6 O13 W -","- C76 H74 N6 O13 W -","- C304 H296 N24 O52 W4 -","4","1","","Vaid, Thomas P.; Sydora, Orson L.; Douthwaite, Richard E.; Wolczanski, Peter T.; Lobkovsky, Emil B.","Hydrogen bonds between polyphenol (p-HOC6H4O)6W and bipyridines: (4,4′-bipy·HOC6H4O)6W and 3-D networks [{4,4′-(NC5H4)2(CH2CH2)}n{(HOC6H4O)6W}]∞(n = 2, 3)","Chemical Communications","2001","","14","1300","","10.1039/b100561h","","","0.71073","MoKα","","0.1483","0.1025","","","0.2575","0.294","","","","","","1.129","","","","has coordinates","180263","2020-10-21","18:00:00","" "7114995","8.0816","0.0007","15.039","0.0004","10.9049","0.0009","90","","90.422","0.003","90","","1325.34","0.16","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C27 H26 Mn O6 P -","- C27 H26 Mn O6 P -","- C54 H52 Mn2 O12 P2 -","2","1","","Son, Seung Uk; Park, Kang Hyun; Lee, Seung Jung; Chung, Young Keun; Sweigart, Dwight A.","Synthesis of planar chiral tricarbonylcyclopentadienylmanganese complexes using a Mn(CO)3+ transfer reaction","Chemical Communications","2001","","14","1290","","10.1039/b102693n","","","0.71073","MoKα","","0.0412","0.0379","","","0.1079","0.1159","","","","","","0.486","","","","has coordinates","180263","2020-10-21","18:00:00","" "7114996","7.6659","0.0002","17.7774","0.0008","18.6479","0.001","90","","90","","90","","2541.33","0.19","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C26 H24 Mn O6 P -","- C26 H24 Mn O6 P -","- C104 H96 Mn4 O24 P4 -","4","1","","Son, Seung Uk; Park, Kang Hyun; Lee, Seung Jung; Chung, Young Keun; Sweigart, Dwight A.","Synthesis of planar chiral tricarbonylcyclopentadienylmanganese complexes using a Mn(CO)3+ transfer reaction","Chemical Communications","2001","","14","1290","","10.1039/b102693n","","","0.71073","MoKα","","0.0569","0.0526","","","0.1398","0.1445","","","","","","1.112","","","","has coordinates","181910","2020-10-21","18:00:00","" "7114997","15.2505","0.0003","24.4126","0.0005","17.3087","0.0003","90","","90.0327","0.0015","90","","6444.1","0.2","190","","190","","","","","","","","synthesis as described","7","C 1 2/c 1","-C 2yc","15","","tris-[2,2':6'2''-terpyridine platinum(II)] sulphonium perchlorate bisacetone solvate","","- C28.5 H28.5 Cl2 N4.5 O10 Pt1.5 S0.5 -","- C28.5 H28.5 Cl2 N4.5 O10 Pt1.5 S0.5 -","- C228 H228 Cl16 N36 O80 Pt12 S4 -","8","1","","Lowe, Gordon; Ross, Steven A.; Probert, Michael; Cowley, Andrew","The X-ray crystal structure of N,S-bis[(4′-chloro-2,2′∶6′,2″- terpyridine)platinum(ii)]-2-mercaptoimidazole tris-hexafluorophosphate and tris[(2,2′∶6′,2″-terpyridine)platinum(ii)]sulfonium tetra-perchlorate","Chemical Communications","2001","","14","1288","","10.1039/b103637h","","","0.71073","MoKα","","","0.0282","","","","0.0306","","","","","","1.0934","","","","has coordinates","176453","2020-10-21","18:00:00","" "7114998","11.9306","0.0001","14.3873","0.0002","15.3729","0.0002","97.1106","0.0005","112.56","0.0005","109.799","0.0005","2192.84","0.05","190","","190","","","","","","","","?","9","P -1","-P 1","2","","","","- C33 H23 Cl2 F18 N8 O2 P3 Pt2 S -","- C33 H23 Cl2 F18 N8 O2 P3 Pt2 S -","- C66 H46 Cl4 F36 N16 O4 P6 Pt4 S2 -","2","1","","Lowe, Gordon; Ross, Steven A.; Probert, Michael; Cowley, Andrew","The X-ray crystal structure of N,S-bis[(4′-chloro-2,2′∶6′,2″- terpyridine)platinum(ii)]-2-mercaptoimidazole tris-hexafluorophosphate and tris[(2,2′∶6′,2″-terpyridine)platinum(ii)]sulfonium tetra-perchlorate","Chemical Communications","2001","","14","1288","","10.1039/b103637h","","","0.71073","MoKα","","","0.0302","","","","0.0375","","","","","","1.0083","","","","has coordinates","176453","2020-10-21","18:00:00","" "7114999","8.4678","0.0015","11.032","0.002","11.517","0.002","89.784","0.005","84.087","0.005","75.05","0.005","1033.6","0.3","173","2","173","2","","","","","","","","7","P -1","-P 1","2","6a","Bis(N,N-dimethylacethydrazido-N,O)phenylsilicon trifluoromethylsulfonate","","- C15 H23 F3 N4 O5 S Si -","- C15 H23 F3 N4 O5 S Si -","- C30 H46 F6 N8 O10 S2 Si2 -","2","1","","Kingston, Vijeyakumar; Gostevskii, Boris; Kalikhman, Inna; Kost, Daniel","Equilibrium between neutral hexacoordinate silicon complexes and ionic pentacoordinate siliconium salts through fast dissociation‒recombination of the Si‒Cl bond","Chemical Communications","2001","","14","1272","","10.1039/b102427m","","","0.71073","MoKα","","0.052","0.0365","","","0.0941","0.1016","","","","","","1.028","","","","has coordinates","180263","2020-10-21","18:00:00","" "7115000","16.466","0.005","8.193","0.003","20.861","0.007","90","","102.427","0.007","90","","2748.3","1.6","173","2","173","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","7","Bis(N,N-dimethylbenzhydrazido-N,O)-bis(trifluoromethylsulfonyl)silicon","","- C20 H22 F6 N4 O8 S2 Si -","- C20 H22 F6 N4 O8 S2 Si -","- C80 H88 F24 N16 O32 S8 Si4 -","4","1","","Kingston, Vijeyakumar; Gostevskii, Boris; Kalikhman, Inna; Kost, Daniel","Equilibrium between neutral hexacoordinate silicon complexes and ionic pentacoordinate siliconium salts through fast dissociation‒recombination of the Si‒Cl bond","Chemical Communications","2001","","14","1272","","10.1039/b102427m","","","0.71073","MoKα","","0.0642","0.0506","","","0.1202","0.1258","","","","","","1.086","","","","has coordinates","180264","2020-10-21","18:00:00","" "7115001","34.037","0.005","19.467","0.004","10.0362","0.0012","90","","90","","90","","6650","1.9","293","2","293","2","","","","","","","","7","P n n a","-P 2a 2bc","52","","","","- C56 H46 Ag2 Cl2 N20 O9 Ru2 -","- C56 H44 Ag2 Cl2 N20 O9 Ru2 -","- C224 H176 Ag8 Cl8 N80 O36 Ru8 -","4","0.5","","Majumdar, Partha; Kamar, Kunal K.; Goswami, Sreebrata; Castiñeiras, Alfonso","Unusual binding mode of the biimidazolate bridging ligand in two novel heteropolynuclear complexes with an M2Ag2 [M = Ru(ii) or Os(ii)] core","Chemical Communications","2001","","14","1292","","10.1039/b100171j","","","1.54184","CuKα","","0.1778","0.0782","","","0.2151","0.2514","","","","","","0.876","","","","has coordinates","180264","2020-10-21","18:00:00","" "7115002","8.9871","0.0003","9.434","0.0004","11.1411","0.0004","67.378","0.002","75.067","0.002","77.487","0.002","835.12","0.06","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C17 H21 B N2 O4 -","- C17 H21 B N2 O4 -","- C34 H42 B2 N4 O8 -","2","1","","Bandini, Marco; Cozzi, Pier Giorgio; Monari, Magda; Perciaccante, Rossana; Selva, Simona; Umani-Ronchi, Achille","Design of boron bis-oxazolinate (B-BOXate) complexes: a new class of stable organometallic catalysts","Chemical Communications","2001","","14","1318","","10.1039/b103571c","","","0.71073","MoKα","","0.0991","0.0455","","","0.1048","0.126","","","","","","0.814","","","","has coordinates","180264","2020-10-21","18:00:00","" "7115003","18.927","0.0004","19.1763","0.0004","21.8457","0.0005","103.335","0.001","97.786","0.001","118.221","0.001","6515.6","0.3","200","2","200","2","","","","","","","","7","P -1","-P 1","2","","","","- C117 H153.5 F21 N12 O11 P3.5 Pt3 -","- C117 H153.5 F21 N12 O11 P3.5 Pt3 -","- C234 H307 F42 N24 O22 P7 Pt6 -","2","1","","Fraser, Christopher S. A.; Jennings, Michael C.; Puddephatt, Richard J.","An organometallic polyrotaxane and a new type of polyrotaxane architecture","Chemical Communications","2001","","14","1310","","10.1039/b103967a","","","0.71073","MoKα","","0.0885","0.0506","","","0.1318","0.1479","","","","","","0.989","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00","" "7115004","34.29","0.004","10.902","0.002","19.323","0.004","90","","114.855","0.005","90","","6554","2","173","","173","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C24 H32 Ag Cl N2 O13 -","- C24 H28 Ag Cl N2 O13 -","- C192 H224 Ag8 Cl8 N16 O104 -","8","1","","Schmaltz, Bruno; Jouaiti, Abdelaziz; Hosseini, Mir Wais; De Cian, André","Double stranded interwound infinite linear silver coordination network","Chemical Communications","2001","","14","1242","","10.1039/b103824a","","","0.71073","Mo-Kα","","0.195","0.077","","0.547","","0.115","","","7.706","","","1.02","","","","has coordinates","180264","2020-10-21","18:00:00","" "7115005","11.559","0.002","42.043","0.008","10.631","0.002","90","","112.51","0.03","90","","4772.8","1.8","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C40 H45 Ag Cl9 N5 Pd -","- C40 H45 Ag Cl9 N5 Pd -","- C160 H180 Ag4 Cl36 N20 Pd4 -","4","1","","Tulloch, Arran A. D.; Danopoulos, Andreas A.; Tizzard, Graham J.; Coles, Simon J.; Hursthouse, Michael B.; Hay-Motherwell, Robyn S.; Motherwell, William B.","Chiral 2,6-lutidinyl-biscarbene complexes of palladium","Chemical Communications","2001","","14","1270","","10.1039/b103330c","","","0.71073","MoKα","","0.0897","0.0514","","","0.1185","0.134","","","","","","1.026","","","","has coordinates,has disorder","180264","2020-10-21","18:00:00","" "7115006","8.4782","0.0004","11.879","0.0006","20.8146","0.0011","75.077","0.003","83.364","0.003","71.322","0.002","1917.65","0.17","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C36 H41 Cl4.5 N5 Pd -","- C36 H41 Cl4.5 N5 Pd -","- C72 H82 Cl9 N10 Pd2 -","2","1","","Tulloch, Arran A. D.; Danopoulos, Andreas A.; Tizzard, Graham J.; Coles, Simon J.; Hursthouse, Michael B.; Hay-Motherwell, Robyn S.; Motherwell, William B.","Chiral 2,6-lutidinyl-biscarbene complexes of palladium","Chemical Communications","2001","","14","1270","","10.1039/b103330c","","","0.71073","MoKα","","0.1316","0.0838","","","0.2213","0.2562","","","","","","0.949","","","","has coordinates","176453","2020-10-21","18:00:00","" "7115007","11.554","0.002","11.813","0.002","8.2501","0.0009","97.89","0.01","97.23","0.01","63.57","0.01","996.1","0.3","296.2","","","","","","","","","","","4","P -1","-P 1","2","","","","- C19 H20 N4 O8 -","- C19 H20 N4 O8 -","- C38 H40 N8 O16 -","2","1","","Kitamura, Tsuyoshi; Sato, Yoshihiro; Mori, Miwako","Unexpected results of enyne metathesis using a ruthenium complex containing an N-heterocyclic carbene ligand","Chemical Communications","2001","","14","1258","","10.1039/b101453f","","","0.7107","MoKα","","","0.038","","","","0.1006","","","","","","1.181","","","","has coordinates","176453","2020-10-21","18:00:00","" "7115008","16.1403","0.0009","16.1403","0.0009","18.1409","0.0014","90","","90","","90","","4725.9","0.5","183","2","183","2","","","","","","","","5","I -4 c 2","I -4 -2c","120","","Trans,trans-bis(bis-(1,2-bisdimethylphosphinoethane)acetylide- manganese)-mu-1,3-butadiyne hexafluorophosphate","","- C32 H66 F6 Mn2 P9 -","- C32 H66 F6 Mn2 P9 -","- C128 H264 F24 Mn8 P36 -","4","0.25","","Fernández, Francisco J.; Blacque, Olivier; Alfonso, Montserrat; Berke, Heinz","A facile and new type of route to the redox-active rigid-rod complex [{Mn(dmpe)2(CCH)}2(μ-C4)][PF6] via Mn‒C2˙ radical coupling","Chemical Communications","2001","","14","1266","","10.1039/b102396a","","","0.71073","MoKα","","0.0529","0.0303","","","0.0732","0.0777","","","","","","0.807","","","","has coordinates","180264","2020-10-21","18:00:00","" "7115009","10.329","0.001","10.329","0.001","28.108","0.004","90","","90","","120","","2597","0.5","120","","120","","","","","","","","","4","P 65","P 65","170","","(S)-(Methyl-phenyl-amino)-N-((S)-1-phenyl-ethyl)-butyramide","","- C19 H23 N2 O -","- C19 H24 N2 O -","- C114 H144 N12 O6 -","6","1","","Zhuang, Wei; Hazell, Rita G.; Jørgensen, Karl Anker","Catalytic enantioselective addition of aromatic amines to enones: synthesis of optically active β-amino acid derivatives","Chemical Communications","2001","","14","1240","","10.1039/b103334b","","","0.71073","MoKα","","","0.049","","","","0.052","","","","","","1.38","","","","has coordinates","288193","2023-12-08","17:12:24","" "7115010","11.0007","0.0016","17.324","0.003","10.8355","0.0016","90","","114.463","0.002","90","","1879.6","0.5","193","2","193","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C26 H62 Li2 N6 O2 P2 S2 -","- C26 H62 Li2 N6 O2 P2 S2 -","- C52 H124 Li4 N12 O4 P4 S4 -","2","0.5","","Chivers, Tristram; Krahn, Mark; Parvez, Masood; Schatte, Gabriele","Steric effects on the mode of aggregation and reactivity of clusters formed from the lithiation of trisamidothiophosphates","Chemical Communications","2001","","19","1922","","10.1039/b105360b","","","0.71073","MoKα","","0.0635","0.0488","","","0.1313","0.142","","","","","","1.039","","","","has coordinates","180264","2020-10-21","18:00:00","" "7115011","24.145","0.004","16.462","0.004","23.405","0.005","90","","110.452","0.014","90","","8716","3","170","2","170","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C29.25 H68 Li3 N6 O P2 S2 -","- C29.23 H67.5 Li3 N6 O0.995 P2 S2 -","- C233.84 H540 Li24 N48 O7.96 P16 S16 -","8","1","","Chivers, Tristram; Krahn, Mark; Parvez, Masood; Schatte, Gabriele","Steric effects on the mode of aggregation and reactivity of clusters formed from the lithiation of trisamidothiophosphates","Chemical Communications","2001","","19","1922","","10.1039/b105360b","","","0.71069","MoKα","","0.1805","0.0762","","","0.2325","0.3222","","","","","","1.046","","","","has coordinates,has disorder","180264","2020-10-21","18:00:00","" "7115012","13.7801","0.0014","23.792","0.002","14.665","0.002","90","","90","","90","","4808","0.9","173","2","173","2","","","","","","","","4","A b a 2","A 2 -2ab","41","[Me2NN]Cu(ethylene) + 0.5 pentane","","","- C25.5 H35 Cu N2 -","- C25.5 H35 Cu N2 -","- C204 H280 Cu8 N16 -","8","","","Dai, Xuliang; Warren, Timothy H.","Dioxygen activation by a neutral β-diketiminato copper(i) ethylene complex","Chemical Communications","2001","","19","1998","","10.1039/b105244f","","","0.71073","MoKα","","0.0363","0.0288","","","0.0721","0.0759","","","","","","1.05","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00","" "7115013","17.4077","0.0014","15.3217","0.0012","18.5088","0.0015","90","","90","","90","","4936.6","0.7","173","2","173","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","[Me2NN]Cu(styrene)","","","- C29 H33 Cu N2 -","- C29 H33 Cu N2 -","- C232 H264 Cu8 N16 -","8","1","","Dai, Xuliang; Warren, Timothy H.","Dioxygen activation by a neutral β-diketiminato copper(i) ethylene complex","Chemical Communications","2001","","19","1998","","10.1039/b105244f","","","0.71073","MoKα","","0.1204","0.0495","","","0.1075","0.124","","","","","","0.868","","","","has coordinates","180264","2020-10-21","18:00:00","" "7115014","23.5194","0.0015","10.6093","0.0007","15.2554","0.001","90","","93.188","0.001","90","","3800.7","0.4","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","{[Me2NN]Cu(OH)}2","","","- C42 H52 Cu2 N4 O2 -","- C42 H52 Cu2 N4 O2 -","- C168 H208 Cu8 N16 O8 -","4","0.5","","Dai, Xuliang; Warren, Timothy H.","Dioxygen activation by a neutral β-diketiminato copper(i) ethylene complex","Chemical Communications","2001","","19","1998","","10.1039/b105244f","","","0.71073","MoKα","","0.0274","0.0249","","","0.0686","0.0701","","","","","","1.051","","","","has coordinates","180264","2020-10-21","18:00:00","" "7115015","37.25","0.04","11.123","0.019","9.61","0.014","90","","90","","90","","3982","10","293","2","293","2","","","","","","","","4","P c c n","-P 2ab 2ac","56","","","","- C16 H29 N3 O6 -","- C16 H29 N3 O6 -","- C128 H232 N24 O48 -","8","1","","Maji, Samir Kumar; Banerjee, Arindam; Drew, Michael G. B.","First crystallographic signature of amyloid-like fibril forming β-sheet assemblage from a tripeptide with non-coded amino acids","Chemical Communications","2001","","19","1946","","10.1039/b105418j","","","0.71073","MoKα","","0.1156","0.0747","","","0.1984","0.2472","","","","","","1.079","","","","has coordinates","206958","2020-10-21","18:00:00","" "7115016","11.2527","0.0007","13.2136","0.0008","13.8116","0.0009","104.974","0.001","100.755","0.001","111.187","0.001","1758.16","0.19","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C56 H80 Cu4.12 N10 O21 -","- C56 H64 Cu4.12 N10.012 O16.006 -","- C56 H64 Cu4.12 N10.012 O16.006 -","1","0.5","","Cromie, Sarah; McKee, Vickie; Launay, Frédéric","Site-selectivity in a heterotetranuclear macrocyclic complex","Chemical Communications","2001","","19","1918","","10.1039/b106340p","","","0.689","Synchrotron","","0.0746","0.0559","","","0.1518","0.1581","","","","","","0.951","","","","has coordinates,has disorder","180264","2020-10-21","18:00:00","" "7115017","24.1862","0.0014","20.1001","0.0012","13.9551","0.0008","90","","93.223","0.001","90","","6773.5","0.7","150","2","150","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C41 H61 Cu2 N4 Ni4 O21.5 -","- C41 H45 Cu2 N4 Ni4 O21.5 -","- C164 H180 Cu8 N16 Ni16 O86 -","4","1","","Cromie, Sarah; McKee, Vickie; Launay, Frédéric","Site-selectivity in a heterotetranuclear macrocyclic complex","Chemical Communications","2001","","19","1918","","10.1039/b106340p","","","0.6941","Synchrotron","","0.0886","0.0741","","","0.2329","0.2459","","","","","","1.055","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00","" "7115018","6.4102","0.0006","16.4887","0.0016","10.2176","0.001","90","","99.417","0.002","90","","1065.4","0.18","158","2","158","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C10 H8 N2 O5 S V -","- C10 H8 N2 O5 S V -","- C40 H32 N8 O20 S4 V4 -","4","1","","Khan, M. Ishaque; Cevik, Sabri; Doedens, Robert J.","Inorganic‒organic hybrids derived from oxovanadium sulfate motifs: synthesis and characterization of [VIVO(µ3-SO4)(2,2′-bpy)]\ιnfty","Chemical Communications","2001","","19","1930","","10.1039/b106866k","","","0.71073","MoKα","","0.0658","0.0576","","","0.1422","0.1443","","","","","","1.22","","","","has coordinates","180264","2020-10-21","18:00:00","" "7115019","13.204","0.001","24.665","0.001","11.0879","0.0009","99.737","0.002","106.21","0.003","83.472","0.005","3409.1","0.4","296.2","","296.2","","","","","","","","","4","P -1","-P 1","2","","","","- C91 H62 Cu2 N8 -","- C91 H62 Cu2 N8 -","- C182 H124 Cu4 N16 -","2","1","","Nakano, Aiko; Aratani, Naoki; Furuta, Hiroyuki; Osuka, Atsuhiro","Directly linked dehydropurpurin‒porphyrin dyads from Ag(i)-promoted oxidation of meso-phenylethynyl substituted zinc(ii) porphyrins","Chemical Communications","2001","","19","1920","","10.1039/b106050n","","","0.7107","MoKα","","0.0596","0.06","","0.066","","0.066","","","0.488","","","0.49","","","","has coordinates","176453","2020-10-21","18:00:00","" "7115020","12.3331","0.0002","7.3853","0.0002","20.023","0.0009","90","","90","","90","","1823.77","0.1","150","2","150","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C11 H11 N O -","- C11 H11 N O -","- C88 H88 N8 O8 -","8","1","","Dunn, Peter J.; Higginson, Paul; Sridharan, Visuvanthar; Graham, Alison B.; Grigg, Ronald; Thornton-Pett, Mark","A novel route to substituted 4-methylene-4,5-dihydroisoxazoles mediated by hafnium(iv) chloride","Chemical Communications","2001","","19","1968","","10.1039/b105561p","","","0.71073","MoKα","","0.0634","0.0449","","","0.0971","0.1063","","","","","","1.103","","","","has coordinates","180264","2020-10-21","18:00:00","" "7115021","12.524","0.002","11.088","0.003","12.935","0.002","90","","99.75","0.02","90","","1770.3","0.6","293","2","293","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C20 H17 N3 O2 S -","- C20 H17 N3 O2 S -","- C80 H68 N12 O8 S4 -","4","1","","Butler, Richard N.; Smyth, Georgina M.; Cloonan (in part), Martin O.; McArdle, Patrick; Cunningham, Desmond","A new tricyclic ring and a nitrogen‒sulfur analogue of the tri-pentagon bowl. Substituted 5,6,7,7a-tetrahydropyrrolo[2,1-b]-1,3,4-thiadiazole-endo-6,7-dicarboxyimides","Chemical Communications","2001","","19","1950","","10.1039/b105190n","","","0.71069","MoKα","","0.1254","0.0422","","","0.0859","0.1022","","","","","","0.877","","","","has coordinates","180264","2020-10-21","18:00:00","" "7115022","13.758","0.005","8.18","0.005","18.037","0.005","90","0.005","106.647","0.005","90","0.005","1944.8","1.5","293","2","293","2","","","","","","","synthesis as described","6","P 1 21/n 1","-P 2yn","14","","","","- C4 H18 N2 O16 P4 U2 -","- C4 H18 N2 O16 P4 U2 -","- C16 H72 N8 O64 P16 U8 -","4","1","","Doran, Michael; Walker, Susan M.; O’Hare, Dermot","Synthesis and characterisation of (C4N2H12)(UO2)2(PO3H)2{PO2(OH)H}2: a three dimensionally connected actinide framework","Chemical Communications","2001","","19","1988","","10.1039/b106804k","","x-ray","0.71069","MoKα","","0.0709","0.0396","","","0.1052","0.1669","","","","","","1.046","","","","has coordinates","180264","2020-10-21","18:00:00","" "7115023","14.4234","0.0007","14.5285","0.0007","19.5453","0.0009","105.288","0.001","100.531","0.001","93.227","0.001","3860.6","0.3","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C214 H120 Cl4 O40 -","- C214 H120 Cl4 O40 -","- C214 H120 Cl4 O40 -","1","0.5","","Fujiwara, Koichi; Komatsu, Koichi","First synthesis of a highly symmetrical decakis-adduct of fullerene dimer C120","Chemical Communications","2001","","19","1986","","10.1039/b105191c","","","0.71073","MoKα","","0.123","0.0747","","","0.2076","0.237","","","","","","0.965","","","","has coordinates","180264","2020-10-21","18:00:00","" "7115024","15.1957","0.0004","27.6216","0.0008","16.0219","0.0003","90","","116.572","0.001","90","","6014.5","0.3","140","2","140","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C76 H140 Br9 Li5 O26 Te12 -","- C76 H140 Br9 Li5 O26 Te12 -","- C152 H280 Br18 Li10 O52 Te24 -","2","1","","Citeau, Hélène; Kirschbaum, Kristin; Conrad, Olaf; Giolando, Dean M.","A novel cage organotellurate(iv) macrocyclic host encapsulating a bromide anion guest: [Li(THF)4][{(PriTe)12O16Br4{Li(THF)Br}4}Br]·2THF","Chemical Communications","2001","","19","2006","","10.1039/b107147p","","","0.71073","MoKα","","0.0629","0.0422","","","0.0748","0.0799","","","","","","0.97","","","","has coordinates,has disorder","180264","2020-10-21","18:00:00","" "7115025","17.8616","0.0019","27.115","0.003","19.081","0.002","90","","95.703","0.002","90","","9195.5","1.7","160","2","160","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C94 H115 Al4 N5 O12 -","- C94 H115 Al4 N5 O12 -","- C376 H460 Al16 N20 O48 -","4","1","","Redshaw, Carl; Elsegood, Mark R. J.","Novel organoaluminium (and gallium) carboxylate-bridged ring systems","Chemical Communications","2001","","19","2016","","10.1039/b106113p","","","0.6878","synchrotron","","0.1756","0.0709","","","0.1392","0.1792","","","","","","0.958","","","","has coordinates,has disorder","180264","2020-10-21","18:00:00","" "7115026","20.502","0.002","22.794","0.003","23.785","0.003","90","","114.694","0.002","90","","10099","2","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C98 H118 Al4 Cl2 N8 O12 -","- C98 H115 Al4 Cl2 N8 O12 -","- C392 H460 Al16 Cl8 N32 O48 -","4","1","","Redshaw, Carl; Elsegood, Mark R. J.","Novel organoaluminium (and gallium) carboxylate-bridged ring systems","Chemical Communications","2001","","19","2016","","10.1039/b106113p","","","0.71073","MoKα","","0.1252","0.0627","","","0.1557","0.194","","","","","","1.02","","","","has coordinates,has disorder","180264","2020-10-21","18:00:00","" "7115027","9.086","0.0013","9.086","0.0013","19.164","0.004","90","","90","","120","","1370.1","0.4","293","2","293","2","","","","","","","","5","P 63","P 6c","173","","","","- C21 H27 K Mn O1.5 -","- C21.54 H15 K Mn O2.01 -","- C43.08 H30 K2 Mn2 O4.02 -","2","0.333333","","Bond, Andrew D.; Layfield, Richard A.; MacAllister, Judith A.; Rawson, Jeremy M.; Wright, Dominic S.; McPartlin, Mary","The first observation of the [Cp3Mn]‒ anion; structures of hexagonal [(η2-Cp)3MnK·1.5thf] and ion-separated [(η2-Cp)3Mn]2[Mg(thf)6]·2thf","Chemical Communications","2001","","19","1956","","10.1039/b106366a","","","0.71073","MoKα","","0.1375","0.0876","","0.3169","0.229","","","","1.06","1.094","1.094","","","","","has coordinates,has disorder","180264","2020-10-21","18:00:00","" "7115028","25.0027","0.0009","10.7118","0.0006","24.0194","0.001","90","","112.56","0.002","90","","5940.7","0.5","180","2","180","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C62 H94 Mg Mn2 O8 -","- C62 H94 Mg Mn2 O8 -","- C248 H376 Mg4 Mn8 O32 -","4","0.5","","Bond, Andrew D.; Layfield, Richard A.; MacAllister, Judith A.; Rawson, Jeremy M.; Wright, Dominic S.; McPartlin, Mary","The first observation of the [Cp3Mn]‒ anion; structures of hexagonal [(η2-Cp)3MnK·1.5thf] and ion-separated [(η2-Cp)3Mn]2[Mg(thf)6]·2thf","Chemical Communications","2001","","19","1956","","10.1039/b106366a","","","0.71073","MoKα","","0.1046","0.0778","","","0.2092","0.2314","","","","","","1.052","","","","has coordinates","180264","2020-10-21","18:00:00","" "7115029","14.035","0.005","11.706","0.004","15.041","0.004","90","","92.14","0.03","90","","2469.4","1.4","293.2","","293.2","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","syn-[3.3](3,9)carbazolophane","","","- C33 H27 N4 -","- C33 H27 N4 -","- C132 H108 N16 -","4","1","","Tani, Keita; Tohda, Yasuo; Takemura, Hiroyuki; Ohkita, Hideo; Ito, Shinzaburo; Yamamoto, Masahide","Synthesis and photophysical properties of [3.3](3,9)carbazolophanes","Chemical Communications","2001","","19","1914","","10.1039/b104101k","","","0.7107","MoKα","","0.0369","0.0369","","","0.0264","0.0264","","","","","","1.36","","","","has coordinates","176453","2020-10-21","18:00:00","" "7115030","7.888","0.008","19.486","0.01","14.567","0.007","90","","91.09","0.06","90","","2239","3","293.2","","293.2","","","","","","","","","3","P 1 21/a 1","-P 2yab","14","anti-[3.3](3,9)carbazolophane","","","- C30 H24 N4 -","- C30 H24 N4 -","- C120 H96 N16 -","4","1","","Tani, Keita; Tohda, Yasuo; Takemura, Hiroyuki; Ohkita, Hideo; Ito, Shinzaburo; Yamamoto, Masahide","Synthesis and photophysical properties of [3.3](3,9)carbazolophanes","Chemical Communications","2001","","19","1914","","10.1039/b104101k","","","0.7107","MoKα","","0.0397","0.0397","","","0.0312","0.0312","","","","","","1.57","","","","has coordinates","176453","2020-10-21","18:00:00","" "7115031","11.8339","0.0009","11.8339","0.0009","14.9028","0.0016","90","","90","","90","","2087","0.3","173","2","173","2","","","","","","","","5","P -4 21 c","P -4 2n","114","","","","- C48 H40 N4 O16 S4 -","- C48 H40 N4 O16 S4 -","- C96 H80 N8 O32 S8 -","2","0.25","","Barbour, Leonard J.; Atwood, Jerry L.","Non-covalent interactions exert extraordinary influence over conformation and properties of a well-known supramolecular building block","Chemical Communications","2001","","19","2020","","10.1039/b105182m","","","0.71073","MoKα","","0.048","0.0437","","","0.1128","0.1153","","","","","","1.077","","","","has coordinates","180264","2020-10-21","18:00:00","" "7115032","12.035","0.002","6.288","0.002","19.541","0.004","90","","100.71","0.02","90","","1453","0.6","295","2","295","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C13 H19 N O6 -","- C13 H19 N O6 -","- C52 H76 N4 O24 -","4","1","","Lin, Ken-Ching; Liao, Chun-Chen","The hetero Diels‒Alder reactions of masked o-benzoquinones with nitroso compounds","Chemical Communications","2001","","17","1624","","10.1039/b103649c","","","0.71073","MoKα","","0.0617","0.0418","","0.1348","0.1249","","","","1.134","1.264","1.264","","","","","has coordinates","180264","2020-10-21","18:00:00","" "7115033","27.547","0.009","4.162","0.0013","14.132","0.005","90","","103.35","0.006","90","","1576.5","0.9","173","2","173","2","","","","","","","","3","C 1 2/m 1","-C 2y","12","","","","- Bi9.63 Cs1.11 Se15 -","- Bi9.63 Cs1.109 Se15 -","- Bi19.26 Cs2.218 Se30 -","2","0.25","","Mrotzek, Antje; Iordanidis, Lykourgos; Kanatzidis, Mercouri G.","Cs1‒xSn1‒xBi9+xSe15 and Cs1.5‒3xBi9.5+xSe15: members of the homologous superseries Am[M1+lSe2+l]2m[M1+2l+nSe3+3l+n] (A = alkali metal, M = Sn and Bi) allowing structural evolution in three different dimensions","Chemical Communications","2001","","17","1648","","10.1039/b103870m","","","0.71073","MoKα","","0.0642","0.0524","","","0.1423","0.1499","","","","","","1.093","","","","has coordinates","180264","2020-10-21","18:00:00","" "7115034","27.287","0.008","4.1162","0.0012","14.004","0.004","90","","103.346","0.005","90","","1530.4","0.8","293","2","293","2","","","","","","","","4","C 1 2/m 1","-C 2y","12","","","","- Bi9.32 Cs0.68 Se15 Sn0.68 -","- Bi9.319 Cs0.681 Se15 Sn0.6798 -","- Bi18.638 Cs1.362 Se30 Sn1.3596 -","2","0.25","","Mrotzek, Antje; Iordanidis, Lykourgos; Kanatzidis, Mercouri G.","Cs1‒xSn1‒xBi9+xSe15 and Cs1.5‒3xBi9.5+xSe15: members of the homologous superseries Am[M1+lSe2+l]2m[M1+2l+nSe3+3l+n] (A = alkali metal, M = Sn and Bi) allowing structural evolution in three different dimensions","Chemical Communications","2001","","17","1648","","10.1039/b103870m","","","0.71073","MoKα","","0.0551","0.04","","","0.0903","0.0942","","","","","","1.098","","","","has coordinates","180264","2020-10-21","18:00:00","" "7115035","21.343","0.009","17.303","0.008","26.256","0.012","90","","97.785","0.012","90","","9607","7","293","2","293","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C85 H70 Cl8 Cu4 N12 O8 P4 -","- C85 H68 Cl8 Cu4 N12 O8 P4 -","- C340 H272 Cl32 Cu16 N48 O32 P16 -","4","0.5","","Song, Hai-Bin; Wang, Quan-Ming; Mak, Thomas C. W.; Zhang, Zheng-Zhi","A novel luminescent copper(i) complex containing an acetylenediide-bridged, butterfly-shaped tetranuclear core","Chemical Communications","2001","","17","1658","","10.1039/b102717b","","","0.71073","MoKα","","0.1177","0.0546","","","0.1524","0.1736","","","","","","0.905","","","","has coordinates","180264","2020-10-21","18:00:00","" "7115036","13.4399","0.0002","10.0105","0.0003","17.9576","0.0004","90","0.0011","100.525","0.002","90","0.0011","2375.37","0.1","150","2","150","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C56 H46 Cl2 Hg O4 P2 -","- C56 H46 Cl2 Hg O4 P2 -","- C112 H92 Cl4 Hg2 O8 P4 -","2","1","","Laavanya, Parthasarathi; Venkatasubramanian, Ulaganathan; Panchanatheswaran, Krishnaswamy; Bauer, Jeanette A. Krause","Subtlety in the reactivity of a diketo phosphorus ylide towards mercuric halides: the unprecedented O-coordination of α-acetyl-α-benzoylmethylenetriphenylphosphorane to Hg(ii)","Chemical Communications","2001","","17","1660","","10.1039/b104082k","","","0.71073","MoKα","","0.043","0.0267","","0.0645","0.0587","","","","1.025","1.069","1.069","","","","","has coordinates","180264","2020-10-21","18:00:00","" "7115037","9.5287","0.0006","11.6425","0.0008","12.3992","0.0008","94.835","0.002","98.281","0.002","102.172","0.002","1321.22","0.15","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C28 H23 Br2 Hg O2 P -","- C28 H23 Br2 Hg O2 P -","- C56 H46 Br4 Hg2 O4 P2 -","2","1","","Laavanya, Parthasarathi; Venkatasubramanian, Ulaganathan; Panchanatheswaran, Krishnaswamy; Bauer, Jeanette A. Krause","Subtlety in the reactivity of a diketo phosphorus ylide towards mercuric halides: the unprecedented O-coordination of α-acetyl-α-benzoylmethylenetriphenylphosphorane to Hg(ii)","Chemical Communications","2001","","17","1660","","10.1039/b104082k","","","0.71069","MoKα","","0.0371","0.031","","","0.0743","0.0766","","","","","","1.041","","","","has coordinates","180264","2020-10-21","18:00:00","" "7115038","8.9528","0.0002","11.7157","0.0003","13.8223","0.0002","107.615","0.0012","91.6914","0.0004","99.418","0.0004","1358.37","0.05","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C28 H23 Hg I2 O2 P -","- C28 H23 Hg I2 O2 P -","- C56 H46 Hg2 I4 O4 P2 -","2","1","","Laavanya, Parthasarathi; Venkatasubramanian, Ulaganathan; Panchanatheswaran, Krishnaswamy; Bauer, Jeanette A. Krause","Subtlety in the reactivity of a diketo phosphorus ylide towards mercuric halides: the unprecedented O-coordination of α-acetyl-α-benzoylmethylenetriphenylphosphorane to Hg(ii)","Chemical Communications","2001","","17","1660","","10.1039/b104082k","","","0.71073","MoKα","","0.0401","0.0313","","","0.0637","0.0667","","","","","","1.017","","","","has coordinates","180264","2020-10-21","18:00:00","" "7115039","12.808","0.003","4.6145","0.001","13.95","0.003","90","","103.193","0.004","90","","802.7","0.3","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C18 H20 N4 O2 -","- C18 H20 N4 O2 -","- C36 H40 N8 O4 -","2","0.5","","Shimizu, Linda S.; Smith, Mark D.; Hughes, Andrew D.; Shimizu, Linda S.","Self-assembly of a bis-urea macrocycle into a columnar nanotube","Chemical Communications","2001","","17","1592","","10.1039/b102159c","","","0.71073","MoKα","","0.0833","0.0386","","","0.0695","0.0826","","","","","","1.008","","","","has coordinates","180264","2020-10-21","18:00:00","" "7115040","22.596","0.003","22.596","0.003","27.515","0.006","90","","90","","120","","12166","4","293","2","293","2","","","","","","","","6","R -3 c :H","-R 3 2""c","167","","","","- C60 H54 Co3 N18 O23 V8 -","- C60 H54 Co3 N18 O23 V8 -","- C360 H324 Co18 N108 O138 V48 -","6","0.166667","","Liu, Cai-Ming; Gao, Song; Wang, Zhe-Ming; Hu, Huai-Ming","A novel bimetallic cage complex constructed from six V4Co pentatomic rings: hydrothermal synthesis and crystal structure of [(2,2′-Py2NH)2Co]3V8O23","Chemical Communications","2001","","17","1636","","10.1039/b104273b","","","0.71073","MoKα","","0.0774","0.0532","","","0.1397","0.1629","","","","","","1.055","","","","has coordinates,has disorder","180264","2020-10-21","18:00:00","" "7115041","8.2736","0.0003","11.9643","0.0006","19.746","0.002","90","","90","","90","","1954.6","0.2","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(2S,7aS)-3-oxo-2-((2R)-3,3,3-trifluoro-2-methoxy-2-phenyl-propionyloxy)- tetrahydro-pyrrolizine-7a-carboxylic acid methyl ester","","- C19 H20 F3 N O6 -","- C19 H20 F3 N O6 -","- C76 H80 F12 N4 O24 -","4","1","","Cordero, Franca M.; Valenza, Silvia; Machetti, Fabrizio; Brandi, Alberto","Design and synthesis of a new bicyclic dipeptide isostere","Chemical Communications","2001","","17","1590","","10.1039/b101692j","","","1.54178","CuKα","","0.0399","0.0397","","","0.1174","0.1177","","","","","","1.032","","","","has coordinates","180264","2020-10-21","18:00:00","" "7115042","9.4853","0.0005","11.0044","0.0005","32.8968","0.0016","90","","90","","90","","3433.8","0.3","193","2","193","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C30 H60 B2 Li O3 P -","- C30 H60 B2 Li O3 P -","- C120 H240 B8 Li4 O12 P4 -","4","1","","Rudzevich, Valentyn L.; Gornitzka, Heinz; Romanenko, Vadim D.; Bertrand, Guy","Formation of the monoanion [Ar*P(BH3)(µ-BH2)2H]‒ with a symmetrically bridging hydride from the attempted synthesis of the dianion [Ar*P(BH3)3]2‒","Chemical Communications","2001","","17","1634","","10.1039/b105030n","","","0.71073","MoKα","","0.0671","0.0505","","","0.1215","0.1299","","","","","","1.078","","","","has coordinates,has disorder","180264","2020-10-21","18:00:00","" "7115043","9.8395","0.0008","11.2345","0.0009","16.5435","0.0013","96.708","0.002","98.842","0.002","91.449","0.002","1792.9","0.2","193","2","193","2","","","","","","","","6","P -1","-P 1","2","","","","- C33 H61 B3 Li O2 P -","- C33 H61 B3 Li O2 P -","- C66 H122 B6 Li2 O4 P2 -","2","1","","Rudzevich, Valentyn L.; Gornitzka, Heinz; Romanenko, Vadim D.; Bertrand, Guy","Formation of the monoanion [Ar*P(BH3)(µ-BH2)2H]‒ with a symmetrically bridging hydride from the attempted synthesis of the dianion [Ar*P(BH3)3]2‒","Chemical Communications","2001","","17","1634","","10.1039/b105030n","","","0.71073","MoKα","","0.0611","0.0499","","","0.1286","0.1379","","","","","","1.036","","","","has coordinates,has disorder","180264","2020-10-21","18:00:00","" "7115044","21.695","0.002","11.1778","0.0007","21.6","0.001","90","","120.957","0.003","90","","4491.9","0.6","296.2","","296.2","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C49 H30 Cl2 N4 O4 Rh2 -","- C49 H30 Cl1.5 N4 O4 Rh2 -","- C196 H120 Cl6 N16 O16 Rh8 -","4","0.5","","Srinivasan, Alagar; Furuta, Hiroyuki; Osuka, Atsuhiro","The first bis-Rh(i) metal complex of N-confused porphyrin","Chemical Communications","2001","","17","1666","","10.1039/b104004a","","","0.7107","MoKα","","0.0457","0.046","","0.063","","0.063","","","0.187","","","0.19","","","","has coordinates","176453","2020-10-21","18:00:00","" "7115045","18.0381","0.0003","31.429","0.0005","17.1686","0.0003","90","","111.305","0.0006","90","","9068","0.3","296.2","","296.2","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C48.5 H31 Cl2 N4 O4.5 Rh2 -","- C48.5 H31 Cl2 N4 O4.25 Rh2 -","- C388 H248 Cl16 N32 O34 Rh16 -","8","1","","Srinivasan, Alagar; Furuta, Hiroyuki; Osuka, Atsuhiro","The first bis-Rh(i) metal complex of N-confused porphyrin","Chemical Communications","2001","","17","1666","","10.1039/b104004a","","","0.7107","MoKα","","0.0393","0.039","","0.072","","0.072","","","0.49","","","0.49","","","","has coordinates","176453","2020-10-21","18:00:00","" "7115046","8.6718","0.0004","10.7317","0.0005","30.9849","0.0003","90","","90","","90","","2883.55","0.19","296.2","","296.2","","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C12 H32 I6 P4 Pt -","- C12 H32 I6 P4 Pt -","- C48 H128 I24 P16 Pt4 -","4","0.5","","Nagasawa, Isoroku; Makiura, Rie; Ishimaru, Shin’ichi; Kitagawa, Hiroshi; Ikeda, Ryuichi; Kimura, Noriyoshi","An unusual six-co-ordinate platinum(II) complex containing a neutral I2 ligand","Chemical Communications","2001","","17","1642","","10.1039/b103648n","","","0.7107","MoKα","","0.033","0.033","","0.04","","0.04","","","1.346","","","1.35","","","","has coordinates","176453","2020-10-21","18:00:00","" "7115047","12.1861","0.0012","13.412","0.0012","14.5875","0.0014","106.156","0.001","99.76","0.002","104.451","0.001","2143.1","0.4","160","2","160","2","","","","","","","","5","P 1","P 1","1","","","","- C80 H120 Li10 N6 O17 -","- C72 H104 Li10 N6 O15 -","- C72 H104 Li10 N6 O15 -","1","1","","Liddle, Stephen T.; Clegg, William","Synthesis and structure of the novel mixed anion‒dianion lithium cage compound [(6-LiCH2Py-2-OLi)4(6-CH3Py-2-OLi)2(THF)9]","Chemical Communications","2001","","17","1584","","10.1039/b104680m","","","0.71073","MoKα","","0.1088","0.093","","","0.2017","0.2103","","","","","","1.132","","","","has coordinates","180264","2020-10-21","18:00:00","" "7115048","10.054","0.002","17.393","0.003","28.88","0.005","90","","92.97","0.009","90","","5043.4","1.6","123.2","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C48 H52 I6 N4 -","- C48 I6 N4 -","- C192 I24 N16 -","4","1","","Suzuki, Takanori; Higuchi, Hiroki; Ohkita, Masakazu; Tsuji, Takashi","Dual-mode electrochromism switched by proton transfer: dynamic redox properties of bis(diarylmethylenium)-type dyes","Chemical Communications","2001","","17","1574","","10.1039/b104742f","","","0.7107","MoKα","","","0.0624","","","","0.0812","","","","","","1.501","","","","has coordinates","176453","2020-10-21","18:00:00","" "7115049","14.612","0.003","16.076","0.002","17.1807","0.0007","90","","91.792","0.001","90","","4033.8","1","110.2","","","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C48 H50 N4 -","- C48 H50 N4 -","- C192 H200 N16 -","4","1","","Suzuki, Takanori; Higuchi, Hiroki; Ohkita, Masakazu; Tsuji, Takashi","Dual-mode electrochromism switched by proton transfer: dynamic redox properties of bis(diarylmethylenium)-type dyes","Chemical Communications","2001","","17","1574","","10.1039/b104742f","","","0.7107","MoKα","","","0.057","","","","0.0656","","","","","","1.14","","","","has coordinates","176453","2020-10-21","18:00:00","" "7115050","9.6884","0.0008","23.432","0.001","22.8948","0.0004","90","","107.579","0.0004","90","","4954.8","0.5","97.2","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C48 H50 I6 N4 -","- C48 H50 I6 N4 -","- C192 H200 I24 N16 -","4","1","","Suzuki, Takanori; Higuchi, Hiroki; Ohkita, Masakazu; Tsuji, Takashi","Dual-mode electrochromism switched by proton transfer: dynamic redox properties of bis(diarylmethylenium)-type dyes","Chemical Communications","2001","","17","1574","","10.1039/b104742f","","","0.7107","MoKα","","","0.0263","","","","0.043","","","","","","1.14","","","","has coordinates","176453","2020-10-21","18:00:00","" "7115051","19.66","0.004","18.43","0.004","13.64","0.003","90","","103.2","0.03","90","","4811.7","1.9","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C24 H14 Co N4 O8.5 V3 -","- C24 H14 Co N4 O8.5 V3 -","- C192 H112 Co8 N32 O68 V24 -","8","1","","Liu, Cai-Ming; Gao, Song; Kou, Hui-Zhong","Dehydrogenative coupling of phenanthroline under hydrothermal conditions: crystal structure of a novel layered vanadate complex constructed of 4,8,10-net sheets: [(2,2′-biphen)Co]V3O8.5","Chemical Communications","2001","","17","1670","","10.1039/b103304m","","","0.71073","MoKα","","0.0523","0.042","","","0.1046","0.1125","","","","","","1.014","","","","has coordinates","176453","2020-10-21","18:00:00","" "7115052","16.8288","0.0008","19.5869","0.0009","20.0979","0.0009","90","","110.327","0.001","90","","6212.2","0.5","193","2","193","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C60.5 H74.75 N4.25 Ni O9 -","- C60.5 H68.25 N4.25 Ni O9 -","- C242 H273 N17 Ni4 O36 -","4","2","","Gazeau, Stéphanie; Pécaut, Jacques; Marchon, Jean-Claude","Nickel porphyrin nanotweezers","Chemical Communications","2001","","17","1644","","10.1039/b104715a","","","0.71073","MoKα","","0.0954","0.0637","","","0.1649","0.1772","","","","","","1.057","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00","" "7115053","14.1554","0.0017","14.795","0.003","16.406","0.003","84.311","0.014","77.063","0.01","65.296","0.01","3042.1","0.9","193","2","193","2","","","","","","","","6","P 1","P 1","1","","","","- C61.5 H73.5 Cl4.5 N4 O8 Zn -","- C61.5 H73.5 Cl4.5 N4 O8 Zn -","- C123 H147 Cl9 N8 O16 Zn2 -","2","2","","Gazeau, Stéphanie; Pécaut, Jacques; Marchon, Jean-Claude","Nickel porphyrin nanotweezers","Chemical Communications","2001","","17","1644","","10.1039/b104715a","","","0.71073","MoKα","","0.0724","0.0565","","","0.1425","0.1518","","","","","","1.096","","","","has coordinates","176453","2020-10-21","18:00:00","" "7115054","18.4508","0.0007","18.4508","0.0007","16.8934","0.0007","90","","90","","120","","4980.6","0.3","173","2","173","2","","","","","","","synthesis as described","6","R 3 c :H","R 3 -2""c","161","[CeCl{N(SiMe3)2}3]","","","- C18 H54 Ce Cl N3 Si6 -","- C18 H54 Ce Cl N3 Si6 -","- C108 H324 Ce6 Cl6 N18 Si36 -","6","0.333333","","Eisenstein, Odile; Hitchcock, Peter B.; Hulkes, Alexander G.; Lappert, Michael F.; Maron, Laurent","Cerium masquerading as a Group 4 element: synthesis, structure and computational characterisation of [CeCl{N(SiMe3)2}3]","Chemical Communications","2001","","17","1560","","10.1039/b103634n","","x-ray","0.71073","MoKα","","0.025","0.0231","","","0.0558","0.0568","","","","","","1.047","","","","has coordinates","180264","2020-10-21","18:00:00","" "7115055","8.9555","0.0006","13.1902","0.0009","31.649","0.002","85.813","0.002","82.838","0.002","73.879","0.002","3560.6","0.4","293","2","293","2","","","","","","","","4","P -1","-P 1","2","bis(tetra-n-butyl)ammonium rhodizonate-phenylurea (1/4)","","","- C66 H104 N10 O10 -","- C66 H104 N10 O10 -","- C132 H208 N20 O20 -","2","1","","Lam, Chi-Keung; Mak, Thomas C. W.","Rhodizonate and croconate dianions as divergent hydrogen-bond acceptors in the self-assembly of supramolecular structures","Chemical Communications","2001","","17","1568","","10.1039/b104386m","","","0.71073","MoKα","","0.1396","0.0588","","","0.1548","0.1865","","","","","","0.867","","","","has coordinates","180264","2020-10-21","18:00:00","" "7115056","8.7478","0.0009","13.1937","0.0013","17.1799","0.0017","70.147","0.002","86.368","0.002","70.806","0.002","1758.7","0.3","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C65 H104 N10 O9 -","- C65 H104 N10 O9 -","- C65 H104 N10 O9 -","1","0.5","","Lam, Chi-Keung; Mak, Thomas C. W.","Rhodizonate and croconate dianions as divergent hydrogen-bond acceptors in the self-assembly of supramolecular structures","Chemical Communications","2001","","17","1568","","10.1039/b104386m","","","0.71073","MoKα","","0.099","0.0563","","","0.1619","0.1834","","","","","","0.992","","","","has coordinates","180264","2020-10-21","18:00:00","" "7115057","23.1015","0.0012","9.3748","0.0005","35.953","0.0018","90","","90","","90","","7786.4","0.7","193","2","193","2","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C37 H57 Cl2 Fe Li N2 O2 -","- C37 H57 Cl2 Fe Li N2 O2 -","- C296 H456 Cl16 Fe8 Li8 N16 O16 -","8","2","","Smith, Jeremy M.; Lachicotte, Rene J.; Holland, Patrick L.","Tuning metal coordination number by ancillary ligand steric effects: synthesis of a three-coordinate iron(ii) complex","Chemical Communications","2001","","17","1542","","10.1039/b103635c","","","0.71073","MoKα","","0.0526","0.0478","","","0.0967","0.0983","","","","","","1.143","","","","has coordinates","180264","2020-10-21","18:00:00","" "7115058","16.7761","0.0008","19.0238","0.0009","36.8905","0.0019","90","","90","","90","","11773.4","1","193","2","193","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C37 H57 Cl2 Fe Li N2 O2 -","- C37 H57 Cl2 Fe Li N2 O2 -","- C444 H684 Cl24 Fe12 Li12 N24 O24 -","12","3","","Smith, Jeremy M.; Lachicotte, Rene J.; Holland, Patrick L.","Tuning metal coordination number by ancillary ligand steric effects: synthesis of a three-coordinate iron(ii) complex","Chemical Communications","2001","","17","1542","","10.1039/b103635c","","","0.71073","MoKα","","0.0787","0.0447","","","0.0822","0.091","","","","","","0.942","","","","has coordinates","180264","2020-10-21","18:00:00","" "7115059","12.0855","0.0012","21.241","0.002","15.8835","0.0015","90","","99.674","0.002","90","","4019.4","0.7","193","2","193","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C37 H60 Cl2 Fe Li N2 O2 -","- C37 H60 Cl2 Fe Li N2 O2 -","- C148 H240 Cl8 Fe4 Li4 N8 O8 -","4","1","","Smith, Jeremy M.; Lachicotte, Rene J.; Holland, Patrick L.","Tuning metal coordination number by ancillary ligand steric effects: synthesis of a three-coordinate iron(ii) complex","Chemical Communications","2001","","17","1542","","10.1039/b103635c","","","0.71073","MoKα","","0.1261","0.0589","","","0.1245","0.1427","","","","","","0.962","","","","has coordinates","180264","2020-10-21","18:00:00","" "7115060","12.6469","0.0008","13.0103","0.0008","26.4143","0.0017","90","","102.853","0.001","90","","4237.3","0.5","193","2","193","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C41 H65 Cl2 Fe Mg0.5 N2 O3 -","- C41 H65 Cl2 Fe Mg0.5 N2 O3 -","- C164 H260 Cl8 Fe4 Mg2 N8 O12 -","4","1","","Smith, Jeremy M.; Lachicotte, Rene J.; Holland, Patrick L.","Tuning metal coordination number by ancillary ligand steric effects: synthesis of a three-coordinate iron(ii) complex","Chemical Communications","2001","","17","1542","","10.1039/b103635c","","","0.71073","MoKα","","0.0769","0.0546","","","0.1361","0.1454","","","","","","1.036","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00","" "7115061","16.9014","0.0011","9.3514","0.0006","22.7756","0.0015","90","","107.237","0.001","90","","3438","0.4","193","2","193","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C35 H53 Cl Fe N2 -","- C35 H53 Cl Fe N2 -","- C140 H212 Cl4 Fe4 N8 -","4","0.5","","Smith, Jeremy M.; Lachicotte, Rene J.; Holland, Patrick L.","Tuning metal coordination number by ancillary ligand steric effects: synthesis of a three-coordinate iron(ii) complex","Chemical Communications","2001","","17","1542","","10.1039/b103635c","","","0.71073","MoKα","","0.0523","0.0398","","","0.0874","0.0917","","","","","","1.107","","","","has coordinates","180264","2020-10-21","18:00:00","" "7115062","13.3564","0.0007","14.2879","0.0007","15.4367","0.0009","90","","98.448","0.004","90","","2913.9","0.3","173.2","","173.2","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C72 H58 Br2 N2 P2 Ru -","- C72 H58 Br2 N2 P2 Ru -","- C144 H116 Br4 N4 P4 Ru2 -","2","1","","Cyr, Paul W.; Patrick, Brian O.; James, Brian R.","A remarkable temperature-dependent, accidental degeneracy of 31P NMR chemical shifts in Ru(ii) diphosphine/diimine complexes","Chemical Communications","2001","","17","1570","","10.1039/b103473c","","","0.7107","MoKα","","0.079","0.037","","0.0924","","0.041","","","0.81","","","0.81","","","","has coordinates","176453","2020-10-21","18:00:00","" "7115063","10.955","0.012","14.307","0.017","17.45","0.02","100.846","0.01","99.17","0.01","91.799","0.01","2646","5","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C50.5 H70.5 Cl N16 O0.5 -","- C50.5 H71 Cl N16 O0.5 -","- C101 H142 Cl2 N32 O -","2","1","","Fox, O. Danny; Rolls, Toby D.; Beer, Paul D.; Drew, Michael G. B.","The binding of difunctional neutral guest molecules by novel bis(tripyrrolyl) cryptands","Chemical Communications","2001","","17","1632","","10.1039/b104077b","","","0.71073","MoKα","","0.1938","0.0881","","","0.2223","0.2686","","","","","","1.091","","","","has coordinates","176453","2020-10-21","18:00:00","" "7115064","11.983","0.015","13.283","0.015","14.765","0.017","72.41","0.01","81.736","0.01","77.618","0.01","2180","4","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C44 H54 N14 -","- C44 H54 N14 -","- C88 H108 N28 -","2","1","","Fox, O. Danny; Rolls, Toby D.; Beer, Paul D.; Drew, Michael G. B.","The binding of difunctional neutral guest molecules by novel bis(tripyrrolyl) cryptands","Chemical Communications","2001","","17","1632","","10.1039/b104077b","","","0.71073","MoKα","","0.1875","0.0756","","","0.2017","0.2523","","","","","","0.924","","","","has coordinates","181910","2020-10-21","18:00:00","" "7115065","17.9399","0.0011","9.4783","0.0005","23.263","0.0014","90","","103.498","0.001","90","","3846.4","0.4","180","2","180","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C42 H46 N6 O2 Ru -","- C42 H46 N6 O2 Ru -","- C168 H184 N24 O8 Ru4 -","4","1","","Munslow, Ian J.; Gillespie, Kevin M.; Deeth, Robert J.; Scott, Peter","Bidentate carbenoid ester coordination in ruthenium(ii) Schiff-base complexes leading to excellent levels of diastereo- and enantioselectivity in catalytic alkene cyclopropanation","Chemical Communications","2001","","17","1638","","10.1039/b104964j","","","0.71073","MoKα","","0.1254","0.0514","","","0.0823","0.1029","","","","","","0.991","","","","has coordinates","180264","2020-10-21","18:00:00","" "7115066","9.0705","0.0011","17.621","0.002","12.7949","0.0015","90","","106.061","0.002","90","","1965.2","0.4","133","2","133","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C12 H33 F3 P4 Ru -","- C12 H33 F3 P4 Ru -","- C48 H132 F12 P16 Ru4 -","4","1","","Kirkham, Matthew S.; Mahon, Mary F.; Whittlesey, Michael K.","C‒F bond activation of perfluoroalkenes by ruthenium phosphine hydride complexes: X-ray crystal structures of cis-Ru(dmpe)2F(F‥HF) and [Ru(dcpe)2H]+[(CF3)2CC(O)CF2CF3]−","Chemical Communications","2001","","9","813","","10.1039/b009862k","","","0.71073","MoKα","","0.0335","0.0322","","","0.077","0.0775","","","","","","1.005","","","","has coordinates","180264","2020-10-21","18:00:00","" "7115067","12.3863","0.0003","13.661","0.0004","21.907","0.0006","106.14","0.002","93.171","0.002","93.832","0.002","3542.23","0.17","170","2","170","2","","","","","","","","6","P -1","-P 1","2","","","","- C70 H109 F11 O P4 Ru -","- C70 H109 F11 O P4 Ru -","- C140 H218 F22 O2 P8 Ru2 -","2","1","","Kirkham, Matthew S.; Mahon, Mary F.; Whittlesey, Michael K.","C‒F bond activation of perfluoroalkenes by ruthenium phosphine hydride complexes: X-ray crystal structures of cis-Ru(dmpe)2F(F‥HF) and [Ru(dcpe)2H]+[(CF3)2CC(O)CF2CF3]−","Chemical Communications","2001","","9","813","","10.1039/b009862k","","","0.71073","MoKα","","0.0694","0.0571","","","0.1511","0.1613","","","","","","1.041","","","","has coordinates,has disorder","180264","2020-10-21","18:00:00","" "7115068","9.6724","0.001","20.217","0.002","14.9774","0.0015","90","","93.545","0.002","90","","2923.2","0.5","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","[1,3-benzenedicarboxylate-1,2-bis(4-pyridyl)ethane-zinc(II)] benzene solvate","","- C35 H31 N2 O4 Zn -","- C35 H31 N2 O4 Zn -","- C140 H124 N8 O16 Zn4 -","4","1","","Lu, Jianjiang; Moulton, Brian; Zaworotko, Michael J.; Bourne, Susan A.","Coexisting covalent and noncovalent nets: parallel interpenetration of a puckered rectangular coordination polymer and aromatic noncovalent nets","Chemical Communications","2001","","9","861","","10.1039/b102153m","","","0.71073","MoKα","","0.068","0.0406","","","0.0764","0.0817","","","","","","0.795","","","","has coordinates","180264","2020-10-21","18:00:00","" "7115069","10.5457","0.0015","18.4","0.003","15.209","0.002","90","","90.971","0.003","90","","2950.7","0.7","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","[1,3-benzenedicarboxylate-1,2-bis(4-pyridyl)ethane-zinc(II)] nitrobenzene solvate","","- C35 H40 N4 O10 Zn3 -","- C31.118 H25.265 N3.853 O7.706 Zn -","- C124.472 H101.06 N15.412 O30.824 Zn4 -","4","1","","Lu, Jianjiang; Moulton, Brian; Zaworotko, Michael J.; Bourne, Susan A.","Coexisting covalent and noncovalent nets: parallel interpenetration of a puckered rectangular coordination polymer and aromatic noncovalent nets","Chemical Communications","2001","","9","861","","10.1039/b102153m","","","0.71073","MoKα","","0.1566","0.0785","","","0.2102","0.2402","","","","","","0.861","","","","has coordinates","180264","2020-10-21","18:00:00","" "7115070","10.243","0.003","18.317","0.005","15.391","0.004","90","","91.116","0.005","90","","2887.1","1.4","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","[1,3-benzenedicarboxylate-1,2-bis(4-pyridyl)ethane-zinc(II)] toluene solvate","","- C34 H32 N2 O4 Zn -","- C30.969 H28.536 N2 O4 Zn -","- C123.876 H114.144 N8 O16 Zn4 -","4","1","","Lu, Jianjiang; Moulton, Brian; Zaworotko, Michael J.; Bourne, Susan A.","Coexisting covalent and noncovalent nets: parallel interpenetration of a puckered rectangular coordination polymer and aromatic noncovalent nets","Chemical Communications","2001","","9","861","","10.1039/b102153m","","","0.71073","MoKα","","0.1545","0.0842","","","0.2118","0.2332","","","","","","1.026","","","","has coordinates","180264","2020-10-21","18:00:00","" "7115071","10.437","0.002","18.516","0.004","15.19","0.003","90","","90.119","0.004","90","","2935.5","1","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","[1,3-benzenedicarboxylate-1,2-bis(4-pyridyl)ethane-zinc(II)] benzaldehyde solvate","","- C34 H28 N2 O6 Zn -","- C34 H28 N2 O6 Zn -","- C136 H112 N8 O24 Zn4 -","4","1","","Lu, Jianjiang; Moulton, Brian; Zaworotko, Michael J.; Bourne, Susan A.","Coexisting covalent and noncovalent nets: parallel interpenetration of a puckered rectangular coordination polymer and aromatic noncovalent nets","Chemical Communications","2001","","9","861","","10.1039/b102153m","","","0.71073","MoKα","","0.1736","0.0939","","","0.2413","0.2696","","","","","","0.913","","","","has coordinates","180264","2020-10-21","18:00:00","" "7115072","10.5454","0.0013","20.202","0.002","14.2392","0.0017","90","","96.781","0.002","90","","3012.3","0.6","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","[1,3-benzenedicarboxylate-1,2-bis(4-pyridyl)ethane-zinc(II)] 1,4-dioxane solvate","","- C30 H36 N2 O9 Zn -","- C30 H36 N2 O9 Zn -","- C120 H144 N8 O36 Zn4 -","4","1","","Lu, Jianjiang; Moulton, Brian; Zaworotko, Michael J.; Bourne, Susan A.","Coexisting covalent and noncovalent nets: parallel interpenetration of a puckered rectangular coordination polymer and aromatic noncovalent nets","Chemical Communications","2001","","9","861","","10.1039/b102153m","","","0.71073","MoKα","","0.0727","0.0435","","","0.1007","0.1096","","","","","","0.744","","","","has coordinates,has disorder","180264","2020-10-21","18:00:00","" "7115073","10.02","0.001","15.1945","0.0015","13.6885","0.0013","90","","90","","90","","2084.1","0.4","173","2","173","2","","","","","","","","6","P n n a","-P 2a 2bc","52","","[1,3-benzenedicarboxylate-1,2-bis(4-pyridyl)ethane-zinc(II)] dichloromethane solvate","","- C10.5 H9 Cl N O2 Zn0.5 -","- C10.5 H9 Cl N O2 Zn0.5 -","- C84 H72 Cl8 N8 O16 Zn4 -","8","1","","Lu, Jianjiang; Moulton, Brian; Zaworotko, Michael J.; Bourne, Susan A.","Coexisting covalent and noncovalent nets: parallel interpenetration of a puckered rectangular coordination polymer and aromatic noncovalent nets","Chemical Communications","2001","","9","861","","10.1039/b102153m","","","0.71073","MoKα","","0.0483","0.0444","","","0.1146","0.1167","","","","","","1.106","","","","has coordinates","176453","2020-10-21","18:00:00","" "7115074","9.676","0.003","15.47","0.005","13.547","0.005","90","","90","","90","","2027.8","1.2","173","2","173","2","","","","","","","","5","P n n a","-P 2a 2bc","52","","[1,3-benzenedicarboxylate-1,2-bis(4-pyridyl)ethane-zinc(II)] methanol solvate","","- C10.5 H9.5 N O2.5 Zn0.5 -","- C10.5 H9.5 N O2.5 Zn0.5 -","- C84 H76 N8 O20 Zn4 -","8","1","","Lu, Jianjiang; Moulton, Brian; Zaworotko, Michael J.; Bourne, Susan A.","Coexisting covalent and noncovalent nets: parallel interpenetration of a puckered rectangular coordination polymer and aromatic noncovalent nets","Chemical Communications","2001","","9","861","","10.1039/b102153m","","","0.71073","MoKα","","0.1072","0.0505","","","0.1032","0.1146","","","","","","0.805","","","","has coordinates","176453","2020-10-21","18:00:00","" "7115075","8.1641","0.0003","16.9942","0.0007","17.4266","0.0008","71.826","0.001","89.518","0.001","85.287","0.001","2289.05","0.16","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C26 H36 Ag7 B F19 N4 O12 -","- C26 Ag7 B F19 N4 O12 -","- C52 Ag14 B2 F38 N8 O24 -","2","1","","Wang, Quan-Ming; Mak, Thomas C. W.","Induced assembly of a catenated chain of edge-sharing silver(i) dodecahedra with embedded acetylide by silver(ii)-tmc (tmc = 1,4,8,11-tetramethyl-1,4,8,11-tetraazacyclotetradecane)","Chemical Communications","2001","","9","807","","10.1039/b009765i","","","0.71073","MoKα","","0.1008","0.0551","","","0.143","0.1634","","","","","","0.949","","","","has coordinates","180264","2020-10-21","18:00:00","" "7115076","9.8755","0.0011","11.3853","0.0013","10.3912","0.0013","110.555","0.01","92.983","0.009","104.374","0.009","1047.2","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C17 H16 Fe2 O5 S3 -","- C17 H16 Fe2 O5 S3 -","- C34 H32 Fe4 O10 S6 -","2","1","","Razavet, Mathieu; Davies, Sian C.; Hughes, David L.; Pickett, Christopher J.","{2Fe3S} clusters related to the di-iron sub-site of the H-centre of all-iron hydrogenases","Chemical Communications","2001","","9","847","","10.1039/b102244j","","","0.71069","Mo-Kα","","0.0534","0.0373","","0.1047","0.0902","","","","1.033","1.048","1.048","","","","","has coordinates","180264","2020-10-21","18:00:00","" "7115077","18.467","0.002","10.9622","0.0012","16.905","0.002","90","","105.267","0.008","90","","3301.5","0.7","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C11 H12 Fe2 O5 S3 -","- C11 H12 Fe2 O5 S3 -","- C88 H96 Fe16 O40 S24 -","8","2","","Razavet, Mathieu; Davies, Sian C.; Hughes, David L.; Pickett, Christopher J.","{2Fe3S} clusters related to the di-iron sub-site of the H-centre of all-iron hydrogenases","Chemical Communications","2001","","9","847","","10.1039/b102244j","","","0.71069","Mo-Kα","","0.0459","0.0282","","0.0614","0.0544","","","","1.048","1.101","1.101","","","","","has coordinates","180264","2020-10-21","18:00:00","" "7115078","13.564","0.012","14.954","0.006","17.948","0.008","69.64","0.03","75.44","0.04","63.98","0.04","3046","3","253","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C68 H55 I O2 P4 Pt3 -","- C68 H55 I O2 P4 Pt3 -","- C136 H110 I2 O4 P8 Pt6 -","2","1","","Archambault, Christine; Bender, Robert; Braunstein, Pierre; Bouaoud, Salah-Eddine; Rouag, Djemel; Golhen, Stéphane; Ouahab, Lahcène","Unexpected bonding similarities between the bridging metalloligands [MoCp(CO)3]− and [PtI(CO)2(PPh3)]− acting as 4-electron donors in metal clusters. Crystal structures of [Pt2Mo(μ-CO)3(μ-PPh2)Cp(PPh3)2] and [Pt3(μ-CO)2(μ-PPh2)I(PPh3)3]","Chemical Communications","2001","","9","849","","10.1039/b101410m","","","0.71073","MoKα","","0.0742","0.0397","","","0.0913","0.1026","","","","","","1.046","","","","has coordinates","180264","2020-10-21","18:00:00","" "7115079","12.053","0.001","13.69","0.001","17.292","0.003","109.271","0.006","92.541","0.006","106.169","0.006","2557.5","0.5","173","","173","","","","","","","","","6","P -1","-P 1","2","","","","- C56 H47 Mo O4 P3 Pt2 -","- C56 H45 Mo O4 P3 Pt2 -","- C112 H90 Mo2 O8 P6 Pt4 -","2","1","","Archambault, Christine; Bender, Robert; Braunstein, Pierre; Bouaoud, Salah-Eddine; Rouag, Djemel; Golhen, Stéphane; Ouahab, Lahcène","Unexpected bonding similarities between the bridging metalloligands [MoCp(CO)3]− and [PtI(CO)2(PPh3)]− acting as 4-electron donors in metal clusters. Crystal structures of [Pt2Mo(μ-CO)3(μ-PPh2)Cp(PPh3)2] and [Pt3(μ-CO)2(μ-PPh2)I(PPh3)3]","Chemical Communications","2001","","9","849","","10.1039/b101410m","","","0.7093","Mo-Kα","","0.042","0.023","","0.566","","0.034","","","18.454","","","1.095","","","","has coordinates","180264","2020-10-21","18:00:00","" "7115080","22.6131","0.0001","23.0681","0.0003","30.8375","0.0004","90","","90","","90","","16086.1","0.3","293","2","293","2","","","","","","","","7","F d d 2","F 2 -2d","43","","","","- C30 H30 Cu4 I2 N6 S4 W -","- C30 H30 Cu4 I2 N6 S4 W -","- C480 H480 Cu64 I32 N96 S64 W16 -","16","1","","Zhang, Chi; Song, Yinglin; Fung, B. M.; Xin, Xinquan; Xue, Ziling","A new approach to superior optical limiting materials—planar ‘open’ heterothiometallic clusters","Chemical Communications","2001","","9","843","","10.1039/b100395j","","","0.71073","MoKα","","0.0454","0.0352","","","0.0761","0.0811","","","","","","1.097","","","","has coordinates","180264","2020-10-21","18:00:00","" "7115081","22.5897","0.0001","22.8053","0.0003","30.1995","0.0003","90","","90","","90","","15557.7","0.3","293","2","293","2","","","","","","","","7","F d d 2","F 2 -2d","43","","","","- C30 H30 Br2 Cu4 N6 S4 W -","- C30 H30 Br2 Cu4 N6 S4 W -","- C480 H480 Br32 Cu64 N96 S64 W16 -","16","1","","Zhang, Chi; Song, Yinglin; Fung, B. M.; Xin, Xinquan; Xue, Ziling","A new approach to superior optical limiting materials—planar ‘open’ heterothiometallic clusters","Chemical Communications","2001","","9","843","","10.1039/b100395j","","","0.71073","MoKα","","0.0747","0.0432","","","0.0977","0.1114","","","","","","1.008","","","","has coordinates","180264","2020-10-21","18:00:00","" "7115082","22.5496","0.0001","22.7445","0.0003","30.2498","0.0004","90","","90","","90","","15514.5","0.3","293","2","293","2","","","","","","","","7","F d d 2","F 2 -2d","43","","","","- C30 H30 Br2 Cu4 Mo N6 S4 -","- C30 H30 Br2 Cu4 Mo N6 S4 -","- C480 H480 Br32 Cu64 Mo16 N96 S64 -","16","1","","Zhang, Chi; Song, Yinglin; Fung, B. M.; Xin, Xinquan; Xue, Ziling","A new approach to superior optical limiting materials—planar ‘open’ heterothiometallic clusters","Chemical Communications","2001","","9","843","","10.1039/b100395j","","","0.71073","MoKα","","0.0827","0.0479","","","0.0966","0.1099","","","","","","1.042","","","","has coordinates","180264","2020-10-21","18:00:00","" "7115083","26.202","0.009","27.756","0.01","28.407","0.01","92.583","0.005","96.393","0.005","92.643","0.005","20483","12","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","","","- C249.33 H0 Cu16 N16 O64 -","- C313 Cu24 N24 O96 -","- C626 Cu48 N48 O192 -","2","1","","Moulton, Brian; Lu, Jianjiang; Mondal, Arunendu; Zaworotko, Michael J.","Nanoballs: nanoscale faceted polyhedra with large windows and cavities","Chemical Communications","2001","","9","863","","10.1039/b102714j","","","0.71073","MoKα","","0.2849","0.1379","","","0.3499","0.4223","","","","","","1.089","","","","has coordinates","180264","2020-10-21","18:00:00","" "7115084","27.6895","0.0017","27.6895","0.0017","27.6895","0.0017","90","","90","","90","","21230","2","200","2","200","2","","","","","","","","4","I m -3 m","-I 4 2 3","229","","","","- C245.84 H96 Cu24 O120 -","- C245.76 H96 Cu24 O120 -","- C491.52 H192 Cu48 O240 -","2","0.0208333","","Moulton, Brian; Lu, Jianjiang; Mondal, Arunendu; Zaworotko, Michael J.","Nanoballs: nanoscale faceted polyhedra with large windows and cavities","Chemical Communications","2001","","9","863","","10.1039/b102714j","","","0.71073","MoKα","","0.1069","0.0784","","","0.2725","0.2953","","","","","","1.138","","","","has coordinates","180264","2020-10-21","18:00:00","" "7115085","33.933","0.007","36.925","0.008","29.577","0.006","90","","93.46","0.003","90","","36992","13","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C20 H20 Cu0.73 N5 O5 -","- C14.8485 Cu1.45455 O6.78788 -","- C980 Cu96 O448 -","66","8.25","","Moulton, Brian; Lu, Jianjiang; Mondal, Arunendu; Zaworotko, Michael J.","Nanoballs: nanoscale faceted polyhedra with large windows and cavities","Chemical Communications","2001","","9","863","","10.1039/b102714j","","","0.71073","MoKα","","0.3056","0.1353","","","0.3382","0.4226","","","","","","1.031","","","","has coordinates","180264","2020-10-21","18:00:00","" "7115086","28.6458","0.0019","28.6458","0.0019","28.165","0.003","90","","90","","120","","20015","3","173","2","173","2","","","","","","","","4","P 63/m","-P 6c","176","","","","- C18.2 H5.49 Cu1.37 O6.86 -","- C17.6 H5.48571 Cu1.37143 O6.85714 -","- C616 H192 Cu48 O240 -","35","2.91667","","Moulton, Brian; Lu, Jianjiang; Mondal, Arunendu; Zaworotko, Michael J.","Nanoballs: nanoscale faceted polyhedra with large windows and cavities","Chemical Communications","2001","","9","863","","10.1039/b102714j","","","0.71073","MoKα","","0.1837","0.1116","","","0.3083","0.3416","","","","","","1.317","","","","has coordinates","176453","2020-10-21","18:00:00","" "7115087","56.521","0.004","19.016","0.002","19.564","0.002","90","","103.053","0.002","90","","20484","3","213","2","213","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C95 H95 Cl6 N12 O16.5 Rh4 -","- C95 H84 Cl6 N12 O16.5 Rh4 -","- C760 H672 Cl48 N96 O132 Rh32 -","8","1","","Cotton, F. Albert; Lin, Chun; Murillo, Carlos A.","Supramolecular structures based on dimetal units: simultaneous utilization of equatorial and axial connections","Chemical Communications","2001","","1","11","","10.1039/b007347o","","","0.71073","MoKα","","0.1707","0.0815","","","0.1819","0.2227","","","","","","1.031","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00","" "7115088","12.708","0.002","14.378","0.002","14.997","0.003","65.81","0.003","72.693","0.003","74.766","0.003","2355","0.7","213","2","213","2","","","","","","","","6","P -1","-P 1","2","","","","- C86 H80 Cl8 N12 O16 Rh4 -","- C86 H64 Cl8 N12 O16 Rh4 -","- C86 H64 Cl8 N12 O16 Rh4 -","1","0.5","","Cotton, F. Albert; Lin, Chun; Murillo, Carlos A.","Supramolecular structures based on dimetal units: simultaneous utilization of equatorial and axial connections","Chemical Communications","2001","","1","11","","10.1039/b007347o","","","0.71073","MoKα","","0.0832","0.0508","","0.1402","0.1193","","","","1.01","1.069","1.069","","","","","has coordinates,has disorder","180264","2020-10-21","18:00:00","" "7115089","18.235","0.006","18.43","0.006","18.665","0.006","81.839","0.007","81.775","0.006","80.742","0.007","6082","3","223","2","223","2","","","","","","","","7","P -1","-P 1","2","","","","- C196.36 H144.72 Cl24.72 F32 N24 O32 Rh8 -","- C196.88 H120 Cl24.72 F32 N24 O32 Rh8 -","- C196.88 H120 Cl24.72 F32 N24 O32 Rh8 -","1","0.5","","Cotton, F. Albert; Lin, Chun; Murillo, Carlos A.","Supramolecular structures based on dimetal units: simultaneous utilization of equatorial and axial connections","Chemical Communications","2001","","1","11","","10.1039/b007347o","","","0.71073","MoKα","","0.2231","0.0936","","","0.211","0.2625","","","","","","1.014","","","","has coordinates,has disorder","180264","2020-10-21","18:00:00","" "7115090","12.289","0.002","15.902","0.004","21.254","0.004","92.25","0.02","93.06","0.02","93.35","0.02","4136.7","1.5","213","2","213","2","","","","","","","","6","P -1","-P 1","2","","","","- C50 H98 F12 Hg4 O37 S5 -","- C50 H94 F12 Hg4 O37 S5 -","- C100 H188 F24 Hg8 O74 S10 -","2","1","","Malleier, Richard; Kopacka, Holger; Schuh, Walter; Wurst, Klaus; Peringer, Paul","1J(199Hg199Hg) values of up to 284 kHz in complexes of [Hg‒Hg]2+ with crown ethers: the largest indirect coupling constants","Chemical Communications","2001","","1","51","","10.1039/b007581g","","","0.71073","MoKα","","0.1036","0.0566","","0.1483","0.1227","","","","1.032","1.112","1.112","","","","","has coordinates,has disorder","180264","2020-10-21","18:00:00","" "7115091","9.547","0.005","11.836","0.002","15.548","0.002","78.39","0.02","77.21","0.04","83.79","0.02","1674.5","1","213","2","213","2","","","","","","","","6","P -1","-P 1","2","","","","- C36 H72 F12 Hg4 O28 S8 -","- C36 H72 F12 Hg4 O28 S8 -","- C36 H72 F12 Hg4 O28 S8 -","1","0.5","","Malleier, Richard; Kopacka, Holger; Schuh, Walter; Wurst, Klaus; Peringer, Paul","1J(199Hg199Hg) values of up to 284 kHz in complexes of [Hg‒Hg]2+ with crown ethers: the largest indirect coupling constants","Chemical Communications","2001","","1","51","","10.1039/b007581g","","","0.71073","MoKα","","0.07","0.0373","","0.0726","0.0607","","","","1.021","1.088","1.088","","","","","has coordinates","180264","2020-10-21","18:00:00","" "7115092","21.1152","0.0013","13.3988","0.0009","21.1719","0.0013","90","","115.09","0.001","90","","5424.7","0.6","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","00214","","","- C122 H146 Fe O12 -","- C122 H146 Fe O12 -","- C244 H292 Fe2 O24 -","2","0.5","","Chavez, Ferman A.; Que Jr., Lawrence; Tolman, William B.","Metal ion complexation by a new, highly sterically hindered, bowl-shaped carboxylate ligand","Chemical Communications","2001","","1","111","","10.1039/b006647h","","","0.71073","MoKα","","0.0997","0.0558","","","0.1594","0.1772","","","","","","1.03","","","","has coordinates,has disorder","180264","2020-10-21","18:00:00","" "7115093","13.2288","0.0007","21.7697","0.0011","26.077","0.0013","76.04","0.001","82.286","0.001","84.717","0.001","7208.1","0.6","293","2","153","2","","","","","","","","3","P -1","-P 1","2","","99264","","- C171 H174 O6 -","- C171 H174 O6 -","- C342 H348 O12 -","2","1","","Chavez, Ferman A.; Que Jr., Lawrence; Tolman, William B.","Metal ion complexation by a new, highly sterically hindered, bowl-shaped carboxylate ligand","Chemical Communications","2001","","1","111","","10.1039/b006647h","","","0.71073","MoKα","","0.1298","0.0541","","","0.1178","0.1389","","","","","","0.802","","","","has coordinates,has disorder","198632","2020-10-21","18:00:00","" "7115094","15.2154","0.0007","11.1085","0.0005","27.7956","0.0012","90","","97.97","0.001","90","","4652.6","0.4","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","00229","","","- C116 H122 Cu O6 -","- C116 H122 Cu O6 -","- C232 H244 Cu2 O12 -","2","0.5","","Chavez, Ferman A.; Que Jr., Lawrence; Tolman, William B.","Metal ion complexation by a new, highly sterically hindered, bowl-shaped carboxylate ligand","Chemical Communications","2001","","1","111","","10.1039/b006647h","","","0.71073","MoKα","","0.0901","0.0598","","","0.1621","0.1795","","","","","","1.033","","","","has coordinates","198632","2020-10-21","18:00:00","" "7115095","14.105","0.002","9.446","0.001","9.781","0.001","90","","90","","90","","1303.2","0.3","150.2","","150.2","","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C5 H12 Br3 S2 Sb -","- C5 H12 Br3 S2 Sb -","- C20 H48 Br12 S8 Sb4 -","4","1","","Barton, Andrew J.; Hill, Nicholas J.; Levason, William; Patel, Bhavesh; Reid, Gillian","Coordination networks derived from antimony(iii) halide complexes with thio- and seleno-ether ligation","Chemical Communications","2001","","1","95","","10.1039/b007805k","","","0.71073","MoKα","","0.0407","0.041","","0.049","","0.049","","","2.054","","","2.05","","","","has coordinates","176453","2020-10-21","18:00:00","" "7115096","10.276","0.002","13.54","0.003","10.755","0.002","90","","113.71","0.01","90","","1370.1","0.5","150.2","","150.2","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C6 H12 Br3 Sb Se2 -","- C6 H12 Br3 Sb Se2 -","- C24 H48 Br12 Sb4 Se8 -","4","1","","Barton, Andrew J.; Hill, Nicholas J.; Levason, William; Patel, Bhavesh; Reid, Gillian","Coordination networks derived from antimony(iii) halide complexes with thio- and seleno-ether ligation","Chemical Communications","2001","","1","95","","10.1039/b007805k","","","0.71073","MoKα","","0.0347","0.0347","","0.0388","","0.0388","","","1.61","","","1.61","","","","has coordinates","176453","2020-10-21","18:00:00","" "7115097","9.622","0.005","12.882","0.003","10.376","0.004","90","","101.89","0.04","90","","1258.5","0.9","150","0.2","150","0.2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C5 H12 Cl3 Sb Se2 -","- C5 H12 Cl3 Sb Se2 -","- C20 H48 Cl12 Sb4 Se8 -","4","1","","Barton, Andrew J.; Hill, Nicholas J.; Levason, William; Patel, Bhavesh; Reid, Gillian","Coordination networks derived from antimony(iii) halide complexes with thio- and seleno-ether ligation","Chemical Communications","2001","","1","95","","10.1039/b007805k","","","0.71073","MoKα","","4.7975","0.0408","","4.8389","","0.0524","","","457.91","","","4.32","","","","has coordinates","176453","2020-10-21","18:00:00","" "7115098","12.0928","0.0014","7.5347","0.0008","12.1177","0.0014","90","","101.59","0.02","90","","1081.6","0.2","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C17 H27 Mo N3 O8 -","- C17 H27 Mo N3 O8 -","- C34 H54 Mo2 N6 O16 -","2","1","","van Staveren, Dave R.; Bothe, Eberhard; Weyhermüller, Thomas; Metzler-Nolte, Nils","Variable temperature electrochemistry as a powerful method for conformational investigations on the fluxional organometallic complex Mo(His-Nɛ-C2H4CO2Me)(η-allyl)(CO)2 (His = Nδ, N,O-l-histidinate)","Chemical Communications","2001","","1","131","","10.1039/b007822k","","","0.71073","MoKα","","0.0281","0.0269","","0.0692","0.0685","","","","1.03","1.035","1.035","","","","","has coordinates","180264","2020-10-21","18:00:00","" "7115099","13.515","0.001","16.643","0.001","13.934","0.001","90","","103.12","0.01","90","","3052.4","0.4","210","2","210","2","","","","","","","","3","I 1 2/a 1","-I 2ya","15","","","","- C30 H60 N2 -","- C30 H60 N2 -","- C120 H240 N8 -","4","0.5","","Batsanov, Andrei S.; Blake, Alexander J.; Hext, Nicholas M.; Mascal, Mark","Structure and polymorphism of the 10.10.10 Simmons and Park cryptand","Chemical Communications","2001","","1","127","","10.1039/b008044f","","","0.71073","MoKα","","0.142","0.0836","","","0.196","0.254","","","","","","1.09","","","","has coordinates,has disorder","211332","2020-10-21","18:00:00","" "7115100","10.209","0.001","12.334","0.001","13.904","0.001","63.78","0.01","74.73","0.01","70.54","0.01","1466.9","0.3","150","2","150","2","","","","","","","","3","P -1","-P 1","2","","","","- C30 H60 N2 -","- C30 H60 N2 -","- C60 H120 N4 -","2","1","","Batsanov, Andrei S.; Blake, Alexander J.; Hext, Nicholas M.; Mascal, Mark","Structure and polymorphism of the 10.10.10 Simmons and Park cryptand","Chemical Communications","2001","","1","127","","10.1039/b008044f","","","0.71073","MoKα","","0.116","0.065","","0.163","0.116","","","","1.14","1.19","1.19","","","","","has coordinates","180265","2020-10-21","18:00:00","" "7115101","13.0395","0.0013","12.3033","0.0013","19.3648","0.0015","90","","122.575","0.009","90","","2618","0.5","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C25 H20 Co2 N6 O6 -","- C25 H20 Co2 N6 O6 -","- C100 H80 Co8 N24 O24 -","4","1","","Barandika, M. Gotzone; Cortés, Roberto; Serna, Zurine; Lezama, Luis; Rojo, Teófilo; Urtiaga, M. Karmele; Arriortua, M. Isabel","Ferromagnetic interactions in the first dicubane-type complex involving cyanate ligand: [Co4(dpk-OH)2(dpk-OMe)2(NCO)4]","Chemical Communications","2001","","1","45","","10.1039/b008256m","","","0.7107","MoKα","","0.2125","0.0581","","","0.0981","0.1352","","","","","","0.799","","","","has coordinates","180265","2020-10-21","18:00:00","" "7115102","17.663","0.005","15.968","0.004","26.142","0.004","90","","98.89","0.03","90","","7285","3","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","cyclo-decakis-[μ-ethanoato-bis-(μ-methoxy)chromium(III)]","","- C40 H90 Cr10 O40 -","- C40.01 H90.03 Cr10 O40 -","- C160.04 H360.12 Cr40 O160 -","4","1","","McInnes, Eric J. L.; Anson, Christopher; Powell, Annie K.; Thomson, Andrew J.; Poussereau, Sandrine; Sessoli, Roberta","Solvothermal synthesis of [Cr10(μ-O2CMe)10(μ-OR)20] ‘chromic wheels’ with antiferromagnetic (R = Et) and ferromagnetic (R = Me) Cr(iii)···Cr(iii) interactions","Chemical Communications","2001","","1","89","","10.1039/b007773i","","","0.71073","MoKα","","0.1875","0.0887","","","0.1564","0.1918","","","","","","0.961","","","","has coordinates,has disorder","180265","2020-10-21","18:00:00","" "7115103","9.446","0.002","16.052","0.003","28.659","0.004","90","","91.037","0.014","90","","4344.8","1.4","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","cyclo-decakis-[μ-ethanoato-bis-(-μ-ethoxy)chromium(III)]","","- C60 H130 Cr10 O40 -","- C60 H26 Cr10 O40 -","- C120 H52 Cr20 O80 -","2","0.5","","McInnes, Eric J. L.; Anson, Christopher; Powell, Annie K.; Thomson, Andrew J.; Poussereau, Sandrine; Sessoli, Roberta","Solvothermal synthesis of [Cr10(μ-O2CMe)10(μ-OR)20] ‘chromic wheels’ with antiferromagnetic (R = Et) and ferromagnetic (R = Me) Cr(iii)···Cr(iii) interactions","Chemical Communications","2001","","1","89","","10.1039/b007773i","","","0.71073","MoKα","","0.184","0.082","","","0.1963","0.2634","","","","","","0.997","","","","has coordinates","180265","2020-10-21","18:00:00","" "7118236","17.234","","15.87","","18.335","","90","","103.071","","90","","4884.76","","","","","","","","","","","","","6","I 1 a 1","I -2ya","9","","(Mn ((H2 N C) (N H) (N H C) (N H) (N H2))3)2 (S O4) (N O3)6 (H2 O)5","","- C12 H30 Mn2 N36 O27 S -","- C12 H30 Mn2 N36 O27 S -","- C48 H120 Mn8 N144 O108 S4 -","4","1","","Das, G.; Bharadwaj, P.K.; Ghosh, D.; Chaudhuri, B.; Banerjee, R.","Synthesis and structure of the (Mn(IV) (biguanide)3)(4+) ion: the simplest source for water-stable manganese(IV)","Chemical Communications","2001","2001","","323","324","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "7118237","7.7219","","5.8443","","29.0762","","90","","94.278","","90","","1308.53","","","","","","","","","","","","","4","P 1 n 1","P -2yac","7","","Bi Pb2 V O6","","- Bi O6 Pb2 V -","- Bi O6 Pb2 V -","- Bi8 O48 Pb16 V8 -","8","4","","Radosavljevic Evans, I.; Howard, J.A.K.; Withers, R.L.; Evans, J.S.O.","Ab initio structure determination of Bi Pb2 V O6 from powder diffraction data","Chemical Communications","2001","2001","","1984","1985","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "7118239","10.0899","","10.0899","","41.462","","90","","90","","120","","3655.57","","","","","","","","","","","","","3","R -3 c :H","-R 3 2""c","167","","Ba9 (Rh8 O24)","","- Ba9 O24 Rh8 -","- Ba9 O24 Rh8 -","- Ba54 O144 Rh48 -","6","0.166667","","Stitzer, K.E.; Smith, M.D.; zur Loye, H.C.; Darriet, J.","Crystal growth, structure determination, and magnetism of a new hexagonal rhodate: Ba9 Rh8 O24","Chemical Communications","2001","2001","","1680","1681","","","","","","","","","","","","","","","","","","","","","","has coordinates","173214","2020-10-21","18:00:00","" "7123809","19.207","0.0002","18.317","0.0002","27.265","0.0005","90","","90","","90","","9592.2","0.2","110","2","110","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C51 H75 N O4 Ti -","- C51 H75 N O4 Ti -","- C408 H600 N8 O32 Ti8 -","8","1","","Edit Y. Tshuva; Israel Goldberg; Moshe Kol; Zeev Goldschmidt","Living polymerization and block copolymerization of alpha-olefins by an amine bis(phenolate) titanium catalyst","Chemical Communications","2001","20","","2120","2121","10.1039/B105492A","","","0.7107","MoKα","","0.1107","0.0546","","","0.1039","0.1284","","","","","","1.052","","","","has coordinates,has disorder","216924","2020-10-21","18:00:00","" "7123810","10.121","0.006","14.415","0.003","15.282","0.003","68.66","0.03","72.98","0.05","79.06","0.05","1977","1.4","200","2","200","2","","","","","","","","6","P -1","-P 1","2","","","","- C76 H96 F6 Li4 N12 O7 -","- C76 H96 F6 Li4 N12 O7 -","- C76 H96 F6 Li4 N12 O7 -","1","0.5","","Frederic Rivals; Alexander Steiner","Triprotic 2,4,6-tris-organoamino-1,3,5-triazenes as precursor to multi-site triazenate ligands","Chemical Communications","2001","20","","2104","2105","10.1039/B105435J","","","0.71073","MoKα","","0.163","0.0947","","","0.2013","0.2311","","","","","","0.909","","","","has coordinates,has disorder","216925","2020-10-21","18:00:00","" "7123811","13.099","0.003","15.446","0.003","17.687","0.004","73.04","0.03","79.94","0.03","80.84","0.03","3348","1.4","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C35 H31.5 Mn N2.5 O9 P -","- C35 Mn N2.5 O9 P -","- C140 Mn4 N10 O36 P4 -","4","2","","Blay, Gonzalo; Fernandez, Isabel; Gimenez, Tomas; Lloret, F.; Munoz, M. C.; Pardo, Emilio; Pedro, Jose R.; Ruiz, Rafael","Alkane oxidation by a carboxylate-bridged dimanganese(III) complex","Chemical Communications","2001","20","","2102","2103","10.1039/B105132F","","","0.71073","MoKα","","0.144","0.0923","","","0.2511","0.3134","","","","","","0.939","","","","has coordinates","288183","2023-12-08","14:43:00","" "7123812","12.246","0.002","16.83","0.002","20.7758","0.0011","79.555","0.003","85.597","0.003","86.0042","0.001","4191.7","0.9","150.1","","","","","","","","","","","7","P -1","-P 1","2","","","","- C87 H83 F18 N2 O6 P2 S2 -","- C87 H83 F18 N2 O6 P2 S2 -","- C174 H166 F36 N4 O12 P4 S4 -","2","1","","Naokazu Kano; Azusa Kikuchi; Takayuki Kawashima","The First Isolable Pentacoordinate 1,2lambda5-Azaphosphetine: Synthesis, X-ray crystallographic Analysis, and Dynamic Behaviour","Chemical Communications","2001","20","","2096","2097","10.1039/B106501G","","","0.7107","MoKα","","","0.041","","","","0.043","","","","","","1.477","","","","has coordinates","216928","2020-10-21","18:00:00","" "7123813","6.374","0.002","8.621","0.003","20.89","0.007","90","","90","","90","","1147.9","0.7","163","2","163","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C12 H13 N5 O -","- C12 H13 N5 O -","- C48 H52 N20 O4 -","4","1","","Abell, Andrew D.; May, Barnaby C. H.","The synthesis and solid state structure of (8S)-8-benzyl-8,9-dihydro-7H-tetrazolo[1,5-d][1,4] diazepin-6-one","Chemical Communications","2001","20","","2080","2081","10.1039/B106175P","","","0.71073","MoKα","","0.0374","0.0323","","","0.0827","0.0853","","","","","","1.036","","","","has coordinates","216929","2020-10-21","18:00:00","" "7123814","11.7233","0.0002","9.8814","0.0002","12.7702","0.0002","90","","93.481","0.0011","90","","1476.6","0.05","115","","115","","","","","","","","see text","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H44 Li2 N2 Si4 -","- C24 H44 Li2 N2 Si4 -","- C48 H88 Li4 N4 Si8 -","2","0.5","","Scherer, W.; Sirsch, P.; Grosche, M.; Spiegler, M.; Mason, S. A.; Gardiner, M.G.","Agostic Deformations based on Electron Delocalization in the Alkyllithium-complex [{2-(Me3Si)2CLiC5H4N}2]","Chemical Communications","2001","20","","2072","2073","10.1039/B105452J","","","0.71073","MoKα","","0.0817","0.025","","","0.0314","","0.0265","","","","","1.062","","","","has coordinates","216930","2020-10-21","18:00:00","" "7123815","11.722","0.0013","9.864","0.0012","12.7517","0.0015","90","","93.479","0.004","90","","1471.7","0.3","100","1","100","1","","","","","","","see text","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H44 Li2 N2 Si4 -","- C24 H44 Li2 N2 Si4 -","- C48 H88 Li4 N4 Si8 -","2","0.5","","Scherer, W.; Sirsch, P.; Grosche, M.; Spiegler, M.; Mason, S. A.; Gardiner, M.G.","Agostic Deformations based on Electron Delocalization in the Alkyllithium-complex [{2-(Me3Si)2CLiC5H4N}2]","Chemical Communications","2001","20","","2072","2073","10.1039/B105452J","","","0.82306","neutron","","0.0519","0.033","","","0.067","0.0776","","","","","","1.083","","","","has coordinates","216931","2020-10-21","18:00:00","" "7123816","11.6982","0.0005","9.8218","0.0005","12.6895","0.0006","90","","93.5114","0.0019","90","","1455.25","0.12","20","1","20","1","","","","","","","see text","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H44 Li2 N2 Si4 -","- C24 H44 Li2 N2 Si4 -","- C48 H88 Li4 N4 Si8 -","2","0.5","","Scherer, W.; Sirsch, P.; Grosche, M.; Spiegler, M.; Mason, S. A.; Gardiner, M.G.","Agostic Deformations based on Electron Delocalization in the Alkyllithium-complex [{2-(Me3Si)2CLiC5H4N}2]","Chemical Communications","2001","20","","2072","2073","10.1039/B105452J","","","0.9507","neutron","","0.0425","0.0311","","","0.0652","0.0687","","","","","","1.098","","","","has coordinates","216932","2020-10-21","18:00:00","" "7123817","5.7715","0.0004","20.005","0.001","14.749","0.001","90","","96.51","0.004","90","","1691.92","0.19","200.2","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C14 H28 N2 O4 -","- C14 H28 N2 O4 -","- C56 H112 N8 O16 -","4","1","","Matsumoto, Akikazu; Miyata, Mikiji; Odani, Toru; Sada, Kazuki","One-way EZ-Isomerization of Di(n-butylammonium) (Z,Z)-Muconate under Photoirradiation in the Crystalline State","Chemical Communications","2001","19","","2004","2005","10.1039/B106155K","","","1.5418","CuKα","","","0.0633","","","","0.1715","","","","","","1.925","","","","has coordinates","216933","2020-10-21","18:00:00","" "7123818","5.5246","0.0008","7.433","0.001","10.865","0.002","98.88","0.01","100.86","0.01","104.38","0.01","414.85","0.12","296.3","","","","","","","","","","","4","P -1","-P 1","2","","","","- C7 H14 N O2 -","- C7 H14 N O2 -","- C14 H28 N2 O4 -","2","1","","Matsumoto, Akikazu; Miyata, Mikiji; Odani, Toru; Sada, Kazuki","One-way EZ-Isomerization of Di(n-butylammonium) (Z,Z)-Muconate under Photoirradiation in the Crystalline State","Chemical Communications","2001","19","","2004","2005","10.1039/B106155K","","","0.7107","MoKα","","","0.046","","","","0.137","","","","","","1.001","","","","has coordinates","216934","2020-10-21","18:00:00","" "7123819","9.952","0.005","15.229","0.007","10.059","0.006","90","","92.86","0.01","90","","1522.6","1.4","297","2","297","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C33 H34 F6 P2 Ru -","- C33 H34 F6 P2 Ru -","- C66 H68 F12 P4 Ru2 -","2","1","","Ruba, Eva; Mereiter, Kurt; Schmid, Roland; Kirchner, Karl","Reactivity of a metallacyclopentatriene intermediate: metal-to-ligand-to-metal re-migration of a phosphine ligand versus a 1,2 hydrogen shift","Chemical Communications","2001","19","","1996","1997","10.1039/B104927P","","","0.71073","MoKα","","0.0448","0.0411","","","0.0993","0.1023","","","","","","1.084","","","","has coordinates","216935","2020-10-21","18:00:00","" "7123820","7.7219","0.0002","5.8443","0.0001","29.0762","0.0007","90","","94.278","0.002","90","","1308.53","0.05","","","","","","","","","","","","4","P 1 n 1","P -2yac","7","","","","- Bi4 O24 Pb8 V4 -","- Bi4 O24 Pb8 V4 -","- Bi8 O48 Pb16 V8 -","2","1","","Evans, John; Evans, Ivana R.; Howard, Judith A. K.; Withers, Ray L.","Ab initio structure determination of BiPb2VO6 from powder diffraction data","Chemical Communications","2001","19","","1984","1985","10.1039/B105242J","powder diffraction","x-ray","1.5418","CuKα","","","","","","","","","","","","","","","","","has coordinates","216936","2020-10-21","18:00:00","" "7123833","23.604","0.004","23.604","0.004","10.803","0.006","90","","90","","120","","5213","3","296.2","","","","","","","","","","","3","R -3 :H","-R 3","148","","","","- C78 H84 O6 -","- C78 H84 O6 -","- C234 H252 O18 -","3","0.166667","","Youichi Hosokawa; Takeshi Kawase; Masaji Oda","8,16,24,32,40,48-Hexamethoxy[2.6]metacyclophane-1,9,17,25,33,41-hexayne: a novel near-planar ammonium selective ionophore","Chemical Communications","2001","19","","1948","1949","10.1039/B104325K","","","0.7107","MoKα","","","0.0603","","","","0.1352","","","","","","1.01","","","","has coordinates","216960","2020-10-21","18:00:00","" "7125469","36.243","0.002","42.788","0.002","31.541","0.0015","90","","107.886","0.001","90","","46549","4","183","2","183","2","","","","","","","","7","C 1 2/m 1","-C 2y","12","","","","- C66 H753 Mo154 N22 Na3 O804 S22 -","- C44 Mo154 O756 -","- C88 Mo308 O1512 -","2","0.25","","Müller, Achim; Das, Samar K.; Kuhlmann, Christoph; Bögge, Hartmut; Schmidtmann, Marc; Diemann, Ekkehard; Krickemeyer, Erich; Hormes, Josef; Modrow, Hartwig; Schindler, Matthias","On the option of generating novel type surfaces with multiphilic ligands within the cavity of a giant metal‒oxide based wheel type cluster: chemical reactions with well-defined nanoobjects","Chemical Communications","2001","","7","655","","10.1039/b100362n","","","0.71073","MoKα","","0.1517","0.0654","","0.2456","0.1793","","","","1.011","1.099","1.099","","","","","has coordinates","244991","2020-10-21","18:00:00","" "7125470","9.815","0.001","9.859","0.001","17.291","0.003","95.6","0.01","90.68","0.01","98.63","0.01","1645.7","0.4","130","","130","","","","","","","","by syntheses","5","P -1","-P 1","2","","","","- C26 H61 N4 Si2 Y -","- C26 H61 N4 Si2 Y -","- C52 H122 N8 Si4 Y2 -","2","1","","Bambirra, Sergio; van Leusen, Daan; Meetsma, Auke; Hessen, Bart; H. Teuben, Jan","Neutral and cationic yttrium alkyl complexes with linked 1,4,7-triazacyclononane-amide monoanionic ancillary ligands: synthesis and catalytic ethene polymerisation","Chemical Communications","2001","","7","637","","10.1039/b101012n","","","0.71073","MoKα","","0.1413","0.0731","","","0.1505","0.18","","","","","","1.016","","","","has coordinates","243905","2020-10-21","18:00:00","" "7125471","8.3607","0.0002","15.4388","0.0004","15.4924","0.0004","84.78","0.001","80.671","0.001","85.655","0.001","1961.32","0.09","183","2","183","2","","","","","","","","6","P -1","-P 1","2","","","","- C31 H38 Fe N11 O14 Pr -","- C31 H20 Fe N11 O14 Pr -","- C62 H40 Fe2 N22 O28 Pr2 -","2","1","","Tanase, Stefania; Andruh, Marius; Müller, Achim; Schmidtmann, Marc; Mathonière, Corine; Rombaut, Guillaume","Construction of 3d‒4f heterometallic coordination polymers by simultaneous use of hexacyanometalate building-blocks and exo-bidentate ligands","Chemical Communications","2001","","12","1084","","10.1039/b101070k","","","0.71073","MoKα","","0.0282","0.0236","","0.0727","0.0637","","","","1.051","1.071","1.071","","","","","has coordinates","244992","2020-10-21","18:00:00","" "7125472","12.191","0.0005","12.434","0.0005","12.916","0.0004","101.743","0.002","104.914","0.002","90.647","0.002","1848.09","0.12","293","2","293","2","","","","","","","","4","P -1","-P 1","2","1',3'-dihydro-1'-(n-propyl)-3',3'dimethyl-6-nitrospiro-[2H-13-benzopyran- 2,2'-(2H)-indoline]","","","- C21 H22 N2 O3 -","- C21 H22 N2 O3 -","- C84 H88 N8 O12 -","4","2","","Godsi, O.; Peskin, U.; Kapon, M.; Natan, E.; Eichen, Y.","Site effects in controlling the chemical reactivity in crystals: solid-state photochromism of N-(n-propyl)nitrospiropyrane.","Chemical communications (Cambridge, England)","2001","","20","2132","2133","10.1039/b102121b","","","0.7107","MoKα","","0.0753","0.041","","","0.1004","0.108","","","","","","0.934","","","","has coordinates","243913","2020-10-21","18:00:00","" "7125473","21.0185","0.0004","21.366","0.0004","19.4924","0.0003","90","","90","","90","","8753.7","0.3","296.2","","","","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C64 H90 F9 N15 O24.5 Rh3 S3 -","- C64 H57 F9 N15 O24.5 Rh3 S3 -","- C256 H228 F36 N60 O98 Rh12 S12 -","4","1","","Yamanari, Kazuaki; Ito, Rie; Yamamoto, Shiori; Fuyuhiro, Akira","Diastereomeric separation of [{M(Cp*)(ado)}3]3+ (M = RhIII, IrIII; ado = adenosinato): crystal structure of an inclusion compound [{Rh(Cp*)(ado)}3](CF3SO3)3·MeOH","Chemical Communications","2001","","15","1414","","10.1039/b102870g","","","0.7107","MoKα","","","0.0441","","","","0.1373","","","","","","0.652","","","","has coordinates","243920","2020-10-21","18:00:00","" "7125474","14.0027","0.0005","14.2483","0.0005","22.7478","0.0009","79.888","0.001","86.886","0.001","65.389","0.001","4061.2","0.3","200","","200","1","","","","","","","see text","5","P -1","-P 1","2","","","","- C79 H119 Al4 B4 O8 -","- C79 H119 Al4 B4 O8 -","- C158 H238 Al8 B8 O16 -","2","1","","Richter, Bodo; Meetsma, Auke; Hessen, Bart; Teuben, Jan H.","Synthesis and structural characterisation of a boralumoxane capable of activating a zirconocene ethene polymerisation catalyst","Chemical Communications","2001","","14","1286","","10.1039/b103670j","","","0.71073","MoKα","","0.091","0.0582","","","0.1498","0.1689","","","","","","1.03","","","","has coordinates","243926","2020-10-21","18:00:00","" "7125475","14.049","0.005","9.982","0.005","20.886","0.008","90","","97.64","0.03","90","","2903","2","293","2","293","2","","","","","","","Chemical synthesis","4","P 1 21/n 1","-P 2yn","14","MEXI01","","","- C31 H39 N3 O4 -","- C31 H39 N3 O4 -","- C124 H156 N12 O16 -","4","1","","González-Zamora, E; Fayol, A.; Bois-Choussy, M; Chiaroni, A.; Zhu, J.","Three component synthesis of oxa-bridged tetracyclic tetrahydroquinolines.","Chemical communications (Cambridge, England)","2001","","17","1684","1685","10.1039/b104317j","","","0.71073","MoKα","","0.1077","0.0755","","0.2294","","0.1998","","","1.101","","","1.181","","","","has coordinates","243933","2020-10-21","18:00:00","" "7125476","12.8434","0.0017","8.3575","0.001","22.265","0.006","90","","97.62","0.03","90","","2368.8","0.8","160","2","160","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C29 H20 Mn2 O4 -","- C29 H20 Mn2 O4 -","- C116 H80 Mn8 O16 -","4","1","","Ortin, Y.; Copple, Y.; Lugan, N.; Mathieu, R.; McGlinchey, M. J.","Dynamic equilibration of eta 1-carbene and eta 2-alkyne moieties within an alkynylcarbene dimanganese complex.","Chemical communications (Cambridge, England)","2001","","17","1690","1691","10.1039/b104712b","","","0.71073","MoKα","","0.0362","0.0247","","","0.0591","0.0628","","","","","","0.956","","","","has coordinates","243937","2020-10-21","18:00:00","" "7125477","12.6442","0.0005","14.7052","0.0006","11.158","0.0004","90","","112.773","0.001","90","","1912.94","0.13","293","2","293","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C18 H16 Cd N3 O5 -","- C18 H14 Cd N3 O5 -","- C72 H56 Cd4 N12 O20 -","4","0.5","","Fu, Z. Y.; Wu, X. T.; Dai, J. C.; Wu, L. M.; Cui, C. P.; Hu, S. M.","Interpenetration in [Cd(isonicotinate)2(1,2-bis(4-pyridyl)-ethane)0.5(H2O)]n, a novel octahedral polymer containing an unusual two-dimensional bilayer motif generated by self-assembly of rectangle building blocks.","Chemical communications (Cambridge, England)","2001","","18","1856","1857","10.1039/b105237n","","","0.71073","MoKα","","0.0355","0.0302","","0.0767","0.0726","","","","1.067","1.07","1.07","","","","","has coordinates","243945","2020-10-21","18:00:00","" "7125478","17.7771","0.0002","17.7771","0.0002","23.6753","0.0003","90","","90","","90","","7481.99","0.15","123","2","123","2","","","","","","","","7","P 42/n :2","-P 4bc","86","[Sr(H2O)8](H2O)4[(CH3CN)(CTV)][Co(C2B9H11)2]2","octaaquostrontium(II) tetra(cyclotriveratrylene) tetrahydrate [cobalt(III)bis(dicarbollide)] acetonitrile clathrate","","- C31 H50 B9 Co0.5 N O9 Sr0.25 -","- C31 H50 B9 Co0.5 N O9 Sr0.25 -","- C248 H400 B72 Co4 N8 O72 Sr2 -","8","1","","Hardie, M. J.; Raston, C. L.; Salinas, A.","A 3,12-connected vertice sharing adamantoid hydrogen bonded network featuring tetrameric clusters of cyclotriveratrylene.","Chemical communications (Cambridge, England)","2001","","18","1850","1851","10.1039/b105517h","","","0.7107","MoKα","","0.076","0.0437","","","0.0904","0.1023","","","","","","1.013","","","","has coordinates","243947","2020-10-21","18:00:00","" "7125479","17.6914","0.0003","17.6914","0.0003","23.6592","0.0003","90","","90","","90","","7405","0.2","123","2","123","2","","","","","","","","8","P 42/n :2","-P 4bc","86","[La0.5Na0.5(H2O)8](H2O)4[(CH3CN)(CTV)][Co(C2B9H11)2]2","octaaquolanthanum/sodium tetra(cyclotriveratrylene)tetrahydrate [cobalt(III)bis(dicarbollide)] acetonitrile clathrate","","- C31 H50 B9 Co0.5 La0.13 N Na0.13 O9 -","- C31 H44 B9 Co0.5 La0.125 N Na0.125 O9 -","- C248 H352 B72 Co4 La N8 Na O72 -","8","1","","Hardie, M. J.; Raston, C. L.; Salinas, A.","A 3,12-connected vertice sharing adamantoid hydrogen bonded network featuring tetrameric clusters of cyclotriveratrylene.","Chemical communications (Cambridge, England)","2001","","18","1850","1851","10.1039/b105517h","","","0.71073","MoKα","","0.113","0.0776","","","0.2068","0.2324","","","","","","1.038","","","","has coordinates,has disorder","243947","2020-10-21","18:00:00","" "7125480","17.6918","0.0003","17.6918","0.0003","23.7339","0.0003","90","","90","","90","","7428.7","0.2","123","2","123","2","","","","","","","","8","P 42/n :2","-P 4bc","86","[Y0.5Na0.5(H2O)8](H2O)4[(CH3CN)(CTV)][Co(C2B9H11)2]2","octaaquoyttrium/sodium tetra(cyclotriveratrylene)tetrahydrate [cobalt(III)bis(dicarbollide)] acetonitrile clathrate","","- C31 H50 B9 Co0.5 N Na0.125 O9 Y0.125 -","- C31 H46 B9 Co0.5 N Na0.125 O9 Y0.125 -","- C248 H368 B72 Co4 N8 Na O72 Y -","8","1","","Hardie, M. J.; Raston, C. L.; Salinas, A.","A 3,12-connected vertice sharing adamantoid hydrogen bonded network featuring tetrameric clusters of cyclotriveratrylene.","Chemical communications (Cambridge, England)","2001","","18","1850","1851","10.1039/b105517h","","","0.71073","MoKα","","0.1335","0.0885","","","0.1906","0.2135","","","","","","1.043","","","","has coordinates,has disorder","243947","2020-10-21","18:00:00","" "7125481","10.584","0.007","12.626","0.01","17.968","0.013","106.92","0.04","90.52","0.06","114.37","0.04","2069","3","183","2","183","2","","","","","","","","5","P -1","-P 1","2","","","","- C40 H63 N5 Nb P -","- C40 H63 N5 Nb P -","- C80 H126 N10 Nb2 P2 -","2","1","","Brask, J. K.; Fickes, M. G.; Sangtrirutnugul, P.; Durà-Vilà, V; Odom, A. L.; Cummins, C. C.","Niobium and vanadium iminophosphinimide complexes.","Chemical communications (Cambridge, England)","2001","","17","1676","1677","10.1039/b105584b","","","0.71073","MoKα","","0.1122","0.0736","","0.1678","0.1301","","","","1.161","1.211","1.211","","","","","has coordinates","243948","2020-10-21","18:00:00","" "7125482","7.599","0.003","7.599","0.003","5.433","0.003","90","","90","","90","","313.7","0.2","93","2","93","2","","","","","","","","4","P 4/n m m :2","-P 4a 2a","129","","tetramethylammonium auride","","- C4 H12 Au N -","- C4 H12 Au N -","- C8 H24 Au2 N2 -","2","0.125","","Dietzel, P. D.; Jansen, M.","Synthesis and crystal structure determination of tetramethylammonium auride.","Chemical communications (Cambridge, England)","2001","","21","2208","2209","10.1039/b105648b","","","0.56085","AgKα","","0.0484","0.0436","","","0.1152","0.1215","","","","","","1.102","","","","has coordinates","243949","2020-10-21","18:00:00","" "7125483","16.646","0.006","18.189","0.006","14.887","0.006","90","","90","","90","","4507","3","293","2","293","2","","","","","","","","7","F d d d :2","-F 2uv 2vw","70","","","","- C12 H20 B2 F8 N4 Ni S4 -","- C12 H20 B2 F8 N4 Ni S4 -","- C96 H160 B16 F64 N32 Ni8 S32 -","8","0.25","","Bigoli, F.; Chen, C. T.; Wu, W. C.; Deplano, P.; Mercuri, M. L.; Pellinghelli, M. A.; Pilia, L.; Pintus, G.; Serpe, A.; Trogu, E. F.","[Ni(R2pipdt)2](BF4)2 (R2pipdt = 1,4-disubstituted-piperazine-3,2-dithione) as useful precursors of mixed-ligand dithiolenes of interest for non-linear optics.","Chemical communications (Cambridge, England)","2001","","21","2246","2247","10.1039/b106064n","","","0.71073","MoKα","","0.1554","0.075","","","0.2019","0.2316","","","","","","0.766","","","","has coordinates","243952","2020-10-21","18:00:00","" "7125484","15.381","0.004","13.623","0.004","7.464","0.005","90","","106.16","0.02","90","","1502.2","1.2","295","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C10 H10 N4 Ni S4 -","- C10 H10 N4 Ni S4 -","- C40 H40 N16 Ni4 S16 -","4","0.5","","Bigoli, F.; Chen, C. T.; Wu, W. C.; Deplano, P.; Mercuri, M. L.; Pellinghelli, M. A.; Pilia, L.; Pintus, G.; Serpe, A.; Trogu, E. F.","[Ni(R2pipdt)2](BF4)2 (R2pipdt = 1,4-disubstituted-piperazine-3,2-dithione) as useful precursors of mixed-ligand dithiolenes of interest for non-linear optics.","Chemical communications (Cambridge, England)","2001","","21","2246","2247","10.1039/b106064n","","","0.71073","MoKα","","0.1493","0.0452","","","0.102","0.1215","","","","","","0.665","","","","has coordinates","243952","2020-10-21","18:00:00","" "7125485","19.3309","0.001","19.3309","0.001","13.4691","0.0007","90","","90","","90","","5033.2","0.5","150","2","150","2","","","","","","","","5","I 41/a :2","-I 4ad","88","[Co(II) 2(NO3) 4(H2O)] [bipydiox]","","","- C20 H24 Co N6 O14 -","- C20 H24 Co N6 O14 -","- C160 H192 Co8 N48 O112 -","8","0.5","","Blake, A. J.; Brett, M. T.; Champness, N. R.; Khlobystov, A. N.; Long, D. L.; Wilson, C.; Schröder, M","Inorganic-organic interpenetrating frameworks: 4,4'-bipyridine N,N'-dioxide as a bridging hydrogen-bond acceptor.","Chemical communications (Cambridge, England)","2001","","21","2258","2259","10.1039/b106348k","","","0.71073","MoKα","","0.0377","0.0276","","","0.0851","0.0897","","","","","","1.012","","","","has coordinates","243956","2020-10-21","18:00:00","" "7125486","19.3091","0.0011","19.3091","0.0011","13.4271","0.0008","90","","90","","90","","5006.2","0.5","150","2","150","2","","","","","","","","5","I 41 c d","I 4bw -2c","110","4,4","4,4'-Bipyridyl-(N,N')-dioxide Nickel(II) bisnitrate tetrahydrate complex","","- C10 H12 N3 Ni0.5 O7 -","- C10 H12 N3 Ni0.5 O7 -","- C160 H192 N48 Ni8 O112 -","16","1","","Blake, A. J.; Brett, M. T.; Champness, N. R.; Khlobystov, A. N.; Long, D. L.; Wilson, C.; Schröder, M","Inorganic-organic interpenetrating frameworks: 4,4'-bipyridine N,N'-dioxide as a bridging hydrogen-bond acceptor.","Chemical communications (Cambridge, England)","2001","","21","2258","2259","10.1039/b106348k","","","0.71073","MoKα","","0.0276","0.0246","","","0.0637","0.065","","","","","","1.074","","","","has coordinates","243956","2020-10-21","18:00:00","" "7125487","8.9447","0.0008","11.716","0.0011","14.0734","0.0013","104.712","0.003","96.797","0.002","98.233","0.002","1393.2","0.2","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C60 H48 Co N14 O18 -","- C60 H48 Co N14 O18 -","- C60 H48 Co N14 O18 -","1","0.5","","Blake, A. J.; Brett, M. T.; Champness, N. R.; Khlobystov, A. N.; Long, D. L.; Wilson, C.; Schröder, M","Inorganic-organic interpenetrating frameworks: 4,4'-bipyridine N,N'-dioxide as a bridging hydrogen-bond acceptor.","Chemical communications (Cambridge, England)","2001","","21","2258","2259","10.1039/b106348k","","","0.71073","MoKα","","0.048","0.042","","","0.118","0.123","","","","","","1.056","","","","has coordinates,has disorder","243956","2020-10-21","18:00:00","" "7125488","18.1799","0.0015","23.84","0.0019","21.5818","0.0018","90","","111.279","0.002","90","","8716","1.2","90","2","90","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","NacNacGa-B(ArF5)3","","","- C47 H41 B F15 Ga N2 -","- C47 H41 B F15 Ga N2 -","- C376 H328 B8 F120 Ga8 N16 -","8","2","","Hardman, N. J.; Power, P. P.; Gorden, J. D.; Macdonald, C. L.; Cowley, A. H.","Gallium-boron donor-acceptor bonds.","Chemical communications (Cambridge, England)","2001","","18","1866","1867","10.1039/b106599h","","","0.71073","MoKα","","0.0932","0.0431","","","0.0924","0.1138","","","","","","0.948","","","","has coordinates","243957","2020-10-21","18:00:00","" "7125489","9.222","0.002","24","0.005","12.063","0.002","90","","93.67","0.03","90","","2664.4","0.9","133","2","133","2","","","","","","","Selfmade","5","P 1 21/c 1","-P 2ybc","14","Cp*Ga-perfluorophenylborane adduct","","","- C28 H15 B F15 Ga -","- C28 H15 B F15 Ga -","- C112 H60 B4 F60 Ga4 -","4","1","","Hardman, N. J.; Power, P. P.; Gorden, J. D.; Macdonald, C. L.; Cowley, A. H.","Gallium-boron donor-acceptor bonds.","Chemical communications (Cambridge, England)","2001","","18","1866","1867","10.1039/b106599h","","","0.71073","MoKα","","0.0408","0.0332","","0.0931","0.091","","","","1.695","1.774","1.774","","","","","has coordinates","243957","2020-10-21","18:00:00","" "7125490","17.2064","0.0004","12.4777","0.0003","15.3058","0.0003","90","","115.529","0.001","90","","2965.27","0.12","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C36 H28 B N6 Na -","- C36 H28 B N6 Na -","- C144 H112 B4 N24 Na4 -","4","0.5","","Constable, E. C.; Housecroft, C. E.; Kariuki, B. M.; Kelly, N.; Smith, C. B.","A polymeric sodium complex of 3,6-bis(2-pyridyl)-1,2,4,5-tetrazine.","Chemical communications (Cambridge, England)","2001","","20","2134","2135","10.1039/b106728c","","","1.54178","CuKα","","0.0551","0.0479","","","0.1351","0.1432","","","","","","1.062","","","","has coordinates","243958","2020-10-21","18:00:00","" "7125491","11.4558","0.001","11.6273","0.001","18.6627","0.0016","102.785","0.002","90.042","0.002","102.881","0.002","2360","0.4","173","2","173","2","","","","","","","","4","P -1","-P 1","2","resorcinarene","","","- C46 H59 N3 O17 -","- C46 H59 N3 O16.8 -","- C92 H118 N6 O33.6 -","2","1","","Shivanyuk, A.; Rebek, Jr, J","Hydrogen-bonded capsules in polar, protic solvents.","Chemical communications (Cambridge, England)","2001","","22","2374","2375","10.1039/b106793c","","","0.71073","MoKα","","0.0909","0.062","","","0.1786","0.2055","","","","","","1.057","","","","has coordinates,has disorder","243959","2020-10-21","18:00:00","" "7125492","10.2669","0.0002","16.4668","0.0003","14.9671","0.0003","90","","94.6721","0.0006","90","","2521.97","0.08","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C16 H36 N4 Sn2 Te2 -","- C16 H36 N4 Sn2 Te2 -","- C64 H144 N16 Sn8 Te8 -","4","1","","Chivers, T.; Schatte, G.","Synthesis and characterization of [ButNSn(mu-NBut)2TeNBut](mu3-SnTe), a stannanetellurone with four-coordinate tin.","Chemical communications (Cambridge, England)","2001","","21","2264","2265","10.1039/b106867a","","","0.71073","MoKα","","0.0348","0.0249","","","0.0498","0.0528","","","","","","1.051","","","","has coordinates","243960","2020-10-21","18:00:00","" "7125493","6.442","0.006","7.007","0.004","9.12","0.004","68.79","0.04","89.06","0.05","69.72","0.07","357.2","0.5","223","2","223","2","","","","","","","","5","P -1","-P 1","2","","","","- C12 H18 Co N O7 -","- C12 H8 Co N O7 -","- C12 H8 Co N O7 -","1","0.5","","Braga, D.; Cojazzi, G.; Emiliani, D.; Maini, L.; Grepioni, F.","Reversible trapping of acid and base vapours into an amphoteric crystalline material.","Chemical communications (Cambridge, England)","2001","","21","2272","2273","10.1039/b106984e","","","0.71073","MoKα","","0.0572","0.0381","","","0.099","0.105","","","","","","1.111","","","","has coordinates","243963","2020-10-21","18:00:00","" "7125494","15.2023","0.0004","7.151","0.0001","17.6577","0.0003","90","","111.213","0.001","90","","1789.53","0.06","325","","325","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","zopiclone","(6-(5-Chloro-2-pyridyl)-6,7-dihydro-7-oxo-5H-pyrrolo(3,4-b)pyrazin-5-yl)-4- methyl-1-piperazine carboxylate","","- C17 Cl N6 O3 -","- C17 Cl N6 O3 -","- C68 Cl4 N24 O12 -","4","1","","Shankland, N.; David, W. I.; Shankland, K.; Kennedy, A. R.; Frampton, C. S.; Florence, A. J.","Structural transformations in zopiclone.","Chemical communications (Cambridge, England)","2001","","21","2204","2205","10.1039/b107075d","powder diffraction","","0.80008","","","","","","","","","","","8.77","","","","","","","has coordinates","243965","2020-10-21","18:00:00","" "7125495","16.4834","0.0001","7.1465","0.0001","17.4026","0.0001","90","","109.807","0.0004","90","","1928.73","0.03","298","","298","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","zopiclone dihydrate","(6-(5-Chloro-2-pyridyl)-6,7-dihydro-7-oxo-5H-pyrrolo(3,4-b)pyrazin-5-yl)-4- methyl-1-piperazine carboxylate","","- C17 Cl N6 O5 -","- C17 Cl N6 O5 -","- C68 Cl4 N24 O20 -","4","1","","Shankland, N.; David, W. I.; Shankland, K.; Kennedy, A. R.; Frampton, C. S.; Florence, A. J.","Structural transformations in zopiclone.","Chemical communications (Cambridge, England)","2001","","21","2204","2205","10.1039/b107075d","powder diffraction","","0.80008","","","","","","","","","","","4.89","","","","","","","has coordinates","243965","2020-10-21","18:00:00","" "7125496","5.5813","0.0001","8.8467","0.0001","35.6588","0.0003","90","","90","","90","","1760.69","0.04","298","","298","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","zopiclone","(6-(5-Chloro-2-pyridyl)-6,7-dihydro-7-oxo-5H-pyrrolo(3,4-b)pyrazin-5-yl)-4- methyl-1-piperazine carboxylate","","- C17 Cl N6 O3 -","- C17 Cl N6 O3 -","- C68 Cl4 N24 O12 -","4","1","","Shankland, N.; David, W. I.; Shankland, K.; Kennedy, A. R.; Frampton, C. S.; Florence, A. J.","Structural transformations in zopiclone.","Chemical communications (Cambridge, England)","2001","","21","2204","2205","10.1039/b107075d","powder diffraction","","0.80008","","","","","","","","","","","2.34","","","","","","","has coordinates","243965","2020-10-21","18:00:00","" "7125497","5.5054","0.0001","8.7686","0.0002","35.5277","0.0007","90","","90","","90","","1715.09","0.06","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","zopiclone","(6-(5-Chloro-2-pyridyl)-6,7-dihydro-7-oxo-5H-pyrrolo (3,4-b)pyrazin-5-yl)-4-methyl-1-piperazine carboxylate","","- C17 H17 Cl N6 O3 -","- C17 H17 Cl N6 O3 -","- C68 H68 Cl4 N24 O12 -","4","1","","Shankland, N.; David, W. I.; Shankland, K.; Kennedy, A. R.; Frampton, C. S.; Florence, A. J.","Structural transformations in zopiclone.","Chemical communications (Cambridge, England)","2001","","21","2204","2205","10.1039/b107075d","","","0.71073","MoKα","","0.0542","0.0394","","","0.079","0.0841","","","","","","1.04","","","","has coordinates","243965","2020-10-21","18:00:00","" "7125498","5.5023","0.0001","8.7676","0.0002","35.5314","0.0007","90","","90","","90","","1714.1","0.06","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","zopiclone","(6-(5-Chloro-2-pyridyl)-6,7-dihydro-7-oxo-5H-pyrrolo(3,4-b)pyrazin-5-yl) -4-methyl-1-piperazine carboxylate","","- C17 H17 Cl N6 O3 -","- C17 H17 Cl N6 O3 -","- C68 H68 Cl4 N24 O12 -","4","1","","Shankland, N.; David, W. I.; Shankland, K.; Kennedy, A. R.; Frampton, C. S.; Florence, A. J.","Structural transformations in zopiclone.","Chemical communications (Cambridge, England)","2001","","21","2204","2205","10.1039/b107075d","","","0.71073","MoKα","","0.0493","0.038","","","0.0794","0.0844","","","","","","1.06","","","","has coordinates","243965","2020-10-21","18:00:00","" "7125499","16.374","0.004","7.03","0.003","17.185","0.002","90","","108.62","0.01","90","","1874.6","1","123","","123","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","zopiclone dihydrate","(6-(5-Chloro-2-pyridyl)-6,7-dihydro-7-oxo -5H-pyrrolo(3,4-b)pyrazin-5-yl)-4-methyl-1-piperazine carboxylate dihydrate","","- C17 H21 Cl N6 O5 -","- C17 H21 Cl N6 O5 -","- C68 H84 Cl4 N24 O20 -","4","1","","Shankland, N.; David, W. I.; Shankland, K.; Kennedy, A. R.; Frampton, C. S.; Florence, A. J.","Structural transformations in zopiclone.","Chemical communications (Cambridge, England)","2001","","21","2204","2205","10.1039/b107075d","","","0.71069","MoKalpha","","0.0719","0.0366","","0.0502","0.045","","","","","1.37","1.37","","","","","has coordinates","243965","2020-10-21","18:00:00","" "7125500","19.9942","0.0002","9.8211","0.0002","18.7466","0.0002","90","","109.131","0.009","90","","3477.9","0.2","203","2","203","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C32 H53 B Co N8 O -","- C32 H53 B Co N8 O -","- C128 H212 B4 Co4 N32 O4 -","4","1","","Thyagarajan, S.; Incarvito, C. D.; Rheingold, A. L.; Theopold, K. H.","Formation and reactivity of a cobalt (II) hydroperoxide intermediate.","Chemical communications (Cambridge, England)","2001","","21","2198","2199","10.1039/b107080k","","","0.71073","MoKα","","0.0916","0.0683","","","0.163","0.1769","","","","","","1.698","","","","has coordinates,has disorder","243967","2020-10-21","18:00:00","" "7125501","9.8833","0.0006","8.837","0.0005","18.375","0.0011","90","","94.948","0.001","90","","1598.87","0.16","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C13 H12 P2 S4 -","- C13 H12 P2 S4 -","- C52 H48 P8 S16 -","4","1","","Kilian, P.; Slawin, A. M.; Woollins, J. D.","Novel small organo-P-S/Se heterocycles.","Chemical communications (Cambridge, England)","2001","","21","2288","2289","10.1039/b107214e","","","0.71073","MoKα","","0.0262","0.0228","","","0.0582","0.0597","","","","","","1.033","","","","has coordinates","243968","2020-10-21","18:00:00","" "7125502","10.0165","0.0014","8.9836","0.0005","18.677","0.005","90","","93.687","0.001","90","","1677.2","0.5","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C13 H12 P2 Se4 -","- C13 H12 P2 Se4 -","- C52 H48 P8 Se16 -","4","1","","Kilian, P.; Slawin, A. M.; Woollins, J. D.","Novel small organo-P-S/Se heterocycles.","Chemical communications (Cambridge, England)","2001","","21","2288","2289","10.1039/b107214e","","","0.71073","MoKα","","0.1059","0.0632","","","0.1347","0.1516","","","","","","1.16","","","","has coordinates","243968","2020-10-21","18:00:00","" "7125503","17.7582","0.0003","27.4561","0.0002","7.1512","0.0001","90","","90","","90","","3486.72","0.08","293","2","293","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C15 H16 P2 Se3 -","- C15 H16 P2 Se3 -","- C120 H128 P16 Se24 -","8","2","","Kilian, P.; Slawin, A. M.; Woollins, J. D.","Novel small organo-P-S/Se heterocycles.","Chemical communications (Cambridge, England)","2001","","21","2288","2289","10.1039/b107214e","","","0.71073","MoKα","","0.052","0.0347","","","0.0592","0.0631","","","","","","0.917","","","","has coordinates","243968","2020-10-21","18:00:00","" "7125504","22.331","0.001","18.351","0.001","10.9217","0.0007","90","","90","","90","","4475.7","0.4","120","","120","","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C38 H51 Cl2 Mn2 N6 O14 -","- C38 H45 Cl2 Ho4 Mn2 N6 O14 -","- C152 H180 Cl8 Ho16 Mn8 N24 O56 -","4","1","","Boisen, A.; Hazell, A.; McKenzie, C. J.","Structural characterisation of the H-bonded [MnII(OH2)2...(OCH3)2MnIII] motif: a model for resting state hydroxylic solvent coordination in M(II)-M(III) enzymes.","Chemical communications (Cambridge, England)","2001","","20","2136","2137","10.1039/b107398m","","","0.71073","MoKα","","","0.043","","","0.048","","","","","1.344","1.344","","","","","has coordinates","243972","2020-10-21","18:00:00","" "7125505","8.8194","0.0014","23.121","0.002","15.744","0.002","90","","101.076","0.013","90","","3150.6","0.7","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C33 H43 Cl Co N3 -","- C33 H43 Cl Co N3 -","- C132 H172 Cl4 Co4 N12 -","4","1","","Gibson, V. C.; Humphries, M. J.; Tellmann, K. P.; Wass, D. F.; White, A. J.; Williams, D. J.","The nature of the active species in bis(imino)pyridyl cobalt ethylene polymerisation catalysts.","Chemical communications (Cambridge, England)","2001","","21","2252","2253","10.1039/b107490c","","","0.71073","MoKα","","0.0803","0.0461","","0.126","0.0995","","","","1.025","1.075","1.075","","","","","has coordinates","243973","2020-10-21","18:00:00","" "7125506","10.7639","0.0007","15.7966","0.0008","15.8811","0.0013","100.546","0.005","102.862","0.005","98.797","0.005","2534.7","0.3","183","2","183","2","","","","","","","","6","P -1","-P 1","2","","","","- C52 H46 B Co F15 N5 -","- C52 H46 B Co F15 N5 -","- C104 H92 B2 Co2 F30 N10 -","2","1","","Gibson, V. C.; Humphries, M. J.; Tellmann, K. P.; Wass, D. F.; White, A. J.; Williams, D. J.","The nature of the active species in bis(imino)pyridyl cobalt ethylene polymerisation catalysts.","Chemical communications (Cambridge, England)","2001","","21","2252","2253","10.1039/b107490c","","","1.54178","CuKα","","0.0819","0.0554","","0.1445","0.1282","","","","1.027","1.088","1.088","","","","","has coordinates","243973","2020-10-21","18:00:00","" "7125507","10.317","0.002","48.495","0.005","15.523","0.003","90","","105.28","0.02","90","","7492","2","93.2","","93.2","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","1,1,2,2,9,9,10,10,17,17,18,18,25,25,26,26,27,27, 28,28,35,35,36,36,37,37,38,38,39,39,40,40-dotriacontamethyl- 1,2,9,10,17,18,25,26,27,28,35,36,37,38,39,40-hexadecasila- [28](1,2,4,5)cyclophane","","","- C56 H104 Si16 -","- C56 H104 Si16 -","- C224 H416 Si64 -","4","0.5","","Kyushin, Soichiro; Kitahara, Tsukasa; Tanaka, Ryoji; Takeda, Masanori; Matsumoto, Takeshi; Matsumoto, Hideyuki","1,2,9,10,17,18,25,26,27,28,35,36,37,38,39,40-Hexadecasila[28](1,2,4,5)-cyclophane and its open-chain homologs","Chemical Communications","2001","","24","2714","","10.1039/b107706f","","","0.7107","MoKα","","0.0773","0.0773","","","0.0936","0.0936","","","","","","4.538","","","","has coordinates","288196","2023-12-08","18:04:39","" "7125508","12.8622","0.0012","17.3734","0.0018","8.6466","0.0012","90","","95.13","0.03","90","","1924.4","0.4","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C20 H18 F3 N O4 Pd -","- C20 H18 F3 N O4 Pd -","- C80 H72 F12 N4 O16 Pd4 -","4","1","","Omnès, L; Timimi, B. A.; Gelbrich, T.; Hursthouse, M. B.; Luckhurst, G. R.; Bruce, D. W.","Specific molecular interactions in Pd(II) complexes identify a new approach to the biaxial nematic phase.","Chemical communications (Cambridge, England)","2001","","21","2248","2249","10.1039/b107775a","","","0.71073","MoKα","","0.19","0.1235","","","0.2278","0.2482","","","","","","1.192","","","","has coordinates","243976","2020-10-21","18:00:00","" "7125509","20.527","0.0006","11.3091","0.0004","13.0364","0.0004","90","","110.933","0.002","90","","2826.56","0.16","150","2","150","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C23 H40 Cl2 N4 O4 -","- C23 H34 Cl2 N4 O4 -","- C92 H136 Cl8 N16 O16 -","4","1","","Arnold, P. L.; Scarisbrick, A. C.; Blake, A. J.; Wilson, C.","Chelating alkoxy-N-heterocyclic carbene complexes of silver and copper.","Chemical communications (Cambridge, England)","2001","","22","2340","2341","10.1039/b107855k","","","0.71073","MoKα","","0.0993","0.0747","","","0.1935","0.2163","","","","","","1.007","","","","has coordinates","243977","2020-10-21","18:00:00","" "7125510","21.33","0.002","12.2341","0.0013","25.177","0.003","90","","112.377","0.002","90","","6075.3","1.1","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C23 H31 Cu N4 O -","- C23 H31 Cu N4 O -","- C184 H248 Cu8 N32 O8 -","8","1","","Arnold, P. L.; Scarisbrick, A. C.; Blake, A. J.; Wilson, C.","Chelating alkoxy-N-heterocyclic carbene complexes of silver and copper.","Chemical communications (Cambridge, England)","2001","","22","2340","2341","10.1039/b107855k","","","0.71073","MoKα","","0.0811","0.0594","","","0.1464","0.1565","","","","","","1.097","","","","has coordinates,has disorder","243977","2020-10-21","18:00:00","" "7125511","13.2908","0.0007","13.4716","0.0008","17.7266","0.0009","96.464","0.002","104.696","0.002","116.971","0.001","2639.1","0.3","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C43 H90 O7 P Re Si3 -","- C43 H90 O7 P Re Si3 -","- C86 H180 O14 P2 Re2 Si6 -","2","1","","Veige, Adam S.; Wolczanski, Peter T.; Lobkovsky, Emil B.","(silox)3RePMe3 (silox = tBu3SiO) is carbonylated to the double insertion product (silox)(Me3P){cis-(CO)2}Re{ trans-(CO2SitBu3)2 }","Chemical Communications","2001","","24","2734","","10.1039/b107884b","","","0.71073","MoKα","","0.0632","0.051","","","0.1228","0.1294","","","","","","1.051","","","","has coordinates,has disorder","243979","2020-10-21","18:00:00","" "7125512","8.701","0.0017","21.072","0.004","24.334","0.005","90","","93.89","0.03","90","","4451.3","1.5","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C37 H81 O4 Re Si3 -","- C37 H81 O4 Re Si3 -","- C148 H324 O16 Re4 Si12 -","4","1","","Veige, Adam S.; Wolczanski, Peter T.; Lobkovsky, Emil B.","(silox)3RePMe3 (silox = tBu3SiO) is carbonylated to the double insertion product (silox)(Me3P){cis-(CO)2}Re{ trans-(CO2SitBu3)2 }","Chemical Communications","2001","","24","2734","","10.1039/b107884b","","","0.94862","","","0.0956","0.0896","","","0.2227","0.2278","","","","","","1.015","","","","has coordinates","243979","2020-10-21","18:00:00","" "7125513","8.4408","0.0013","9.263","0.0016","13.843","0.002","81.119","0.015","83.643","0.012","72.647","0.011","1018.3","0.3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C5 H21 N3 O16 P4 Zn3 -","- C5 H21 N3 O16 P4 Zn3 -","- C10 H42 N6 O32 P8 Zn6 -","2","1","","Neeraj, S.; Forster, P. M.; Rao, C. N. R.; Cheetham, A. K.","A new route for the synthesis of open-framework metal phosphates using organophosphates","Chemical Communications","2001","","24","2716","","10.1039/b107898b","","","0.71073","MoKα","","0.0425","0.0371","","","0.106","0.1131","","","","","","1.059","","","","has coordinates","243980","2020-10-21","18:00:00","" "7125514","5.1601","0.0006","25.075","0.003","14.986","0.0019","90","","92.61","0.002","90","","1937","0.4","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C6 H4.5 N2 O18.25 P4 Zn5 -","- C4 N2 O18.246 P4 Zn5 -","- C16 N8 O72.984 P16 Zn20 -","4","1","","Neeraj, S.; Forster, P. M.; Rao, C. N. R.; Cheetham, A. K.","A new route for the synthesis of open-framework metal phosphates using organophosphates","Chemical Communications","2001","","24","2716","","10.1039/b107898b","","","0.71073","MoKα","","0.0596","0.0453","","","0.1125","0.1185","","","","","","1.004","","","","has coordinates","243980","2020-10-21","18:00:00","" "7125515","13.444","0.005","12.874","0.005","8.224","0.002","90","","94.64","0.02","90","","1418.7","0.8","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C2 H7 Co N O6 P1.5 -","- C2 H7 Co N O6 P1.5 -","- C16 H56 Co8 N8 O48 P12 -","8","1","","Neeraj, S.; Forster, P. M.; Rao, C. N. R.; Cheetham, A. K.","A new route for the synthesis of open-framework metal phosphates using organophosphates","Chemical Communications","2001","","24","2716","","10.1039/b107898b","","","0.71073","MoKα","","0.0591","0.0471","","","0.1328","0.1397","","","","","","1.033","","","","has coordinates","243980","2020-10-21","18:00:00","" "7125516","5.1534","0.0007","10.7578","0.0013","10.8329","0.0014","66.381","0.002","89.058","0.002","81.674","0.002","543.89","0.12","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C4 H12 Co2 N2 O8 P2 -","- C4 H12 Co2 N2 O8 P2 -","- C8 H24 Co4 N4 O16 P4 -","2","1","","Neeraj, S.; Forster, P. M.; Rao, C. N. R.; Cheetham, A. K.","A new route for the synthesis of open-framework metal phosphates using organophosphates","Chemical Communications","2001","","24","2716","","10.1039/b107898b","","","0.71073","MoKα","","0.0643","0.0536","","","0.1388","0.147","","","","","","1.012","","","","has coordinates","243980","2020-10-21","18:00:00","" "7125517","13.4892","0.0018","13.4892","0.0018","14.984","0.003","90","","90","","120","","2361.2","0.6","293","2","293","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C1.71 H0 Co N0.71 O3.43 P0.86 -","- C1.71429 Co0.967429 N0.714286 O3.42857 P0.851143 -","- C36 Co20.316 N15 O72 P17.874 -","21","1.16667","","Neeraj, S.; Forster, P. M.; Rao, C. N. R.; Cheetham, A. K.","A new route for the synthesis of open-framework metal phosphates using organophosphates","Chemical Communications","2001","","24","2716","","10.1039/b107898b","","","0.71073","MoKα","","0.1037","0.0664","","","0.1592","0.1796","","","","","","1.032","","","","has coordinates","243980","2020-10-21","18:00:00","" "7125518","21.175","0.002","16.6805","0.0013","7.568","0.0006","90","","90.261","0.003","90","","2673.1","0.4","200","2","200","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C24 H26 B2 N12 Ti -","- C24 H26 B2 N12 Ti -","- C96 H104 B8 N48 Ti4 -","4","0.5","","Kayal, A.; Kuncheria, J.; Lee, S. C.","Bis[hydrotris(pyrazol-1-yl)borato]titanium(II): a stable Tp2M complex of singular reactivity.","Chemical communications (Cambridge, England)","2001","","23","2482","2483","10.1039/b108115b","","","0.71073","MoKα","","0.0775","0.045","","0.1184","0.103","","","","1.023","1.08","1.08","","","","","has coordinates","243982","2020-10-21","18:00:00","" "7125519","13.4375","0.0008","13.4375","0.0008","14.2741","0.0011","90","","90","","90","","2577.4","0.3","200","2","200","2","","","","","","","","7","I 4/m","-I 4","87","","","","- C18 H20 B2 F6 N12 P Ti -","- C18 H20 B2 F6 N12 P Ti -","- C72 H80 B8 F24 N48 P4 Ti4 -","4","0.25","","Kayal, A.; Kuncheria, J.; Lee, S. C.","Bis[hydrotris(pyrazol-1-yl)borato]titanium(II): a stable Tp2M complex of singular reactivity.","Chemical communications (Cambridge, England)","2001","","23","2482","2483","10.1039/b108115b","","","0.71073","MoKα","","0.1179","0.0575","","0.1894","0.1457","","","","1.011","1.066","1.066","","","","","has coordinates","243982","2020-10-21","18:00:00","" "7125520","20.5983","0.0006","15.627","0.0006","20.2307","0.0008","90","","90","","90","","6512.1","0.4","200","2","200","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C60 H64 B4 N24 O Ti2 -","- C60 H64 B4 N24 O Ti2 -","- C240 H256 B16 N96 O4 Ti8 -","4","1","","Kayal, A.; Kuncheria, J.; Lee, S. C.","Bis[hydrotris(pyrazol-1-yl)borato]titanium(II): a stable Tp2M complex of singular reactivity.","Chemical communications (Cambridge, England)","2001","","23","2482","2483","10.1039/b108115b","","","0.71073","MoKα","","0.0901","0.0483","","0.097","0.0843","","","","1.008","1.057","1.057","","","","","has coordinates","243982","2020-10-21","18:00:00","" "7125521","17.2584","0.0003","17.2192","0.0004","31.9869","0.0008","90","","90","","90","","9505.7","0.4","200","2","200","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C18 H20 B2 N12 Se Ti -","- C18 H20 B2 N12 Se Ti -","- C288 H320 B32 N192 Se16 Ti16 -","16","2","","Kayal, A.; Kuncheria, J.; Lee, S. C.","Bis[hydrotris(pyrazol-1-yl)borato]titanium(II): a stable Tp2M complex of singular reactivity.","Chemical communications (Cambridge, England)","2001","","23","2482","2483","10.1039/b108115b","","","0.71073","MoKα","","0.1188","0.0524","","0.1396","0.1121","","","","1.006","1.09","1.09","","","","","has coordinates","243982","2020-10-21","18:00:00","" "7125522","17.0677","0.0004","17.2213","0.0003","32.9623","0.0008","90","","90","","90","","9688.5","0.4","200","2","200","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C18 H20 B2 N12 S2 Ti -","- C18 H20 B2 N12 S2 Ti -","- C288 H320 B32 N192 S32 Ti16 -","16","2","","Kayal, A.; Kuncheria, J.; Lee, S. C.","Bis[hydrotris(pyrazol-1-yl)borato]titanium(II): a stable Tp2M complex of singular reactivity.","Chemical communications (Cambridge, England)","2001","","23","2482","2483","10.1039/b108115b","","","0.71073","MoKα","","0.0668","0.044","","0.1237","0.1085","","","","1.067","1.096","1.096","","","","","has coordinates","243982","2020-10-21","18:00:00","" "7125523","9.634","0.003","32.706","0.007","10.51","0.002","90","","98.16","0.02","90","","3278.1","1.4","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","[Co(Cp)(CpP6cage)]","","","- C31 H47 Co P6 -","- C31 H47 Co P6 -","- C124 H188 Co4 P24 -","4","1","","Hitchcock, Peter B.; Nixon, John F.; Büyükkidan, Nurgün Sakarya","Remarkable organophosphorus cage compounds from the reaction of cobaltocene and the triphosphole P3C2But2CH(SiMe3) 2: crystal and molecular structures of [Co(η5-C5H5)(η4-C 4H4CHCHP6C4But 4)] and P6C4But4CH(SiMe3)","Chemical Communications","2001","","24","2720","","10.1039/b108125j","","","0.71073","MoKα","","0.1022","0.0563","","0.1553","0.1187","","","","1.039","1.047","1.047","","","","","has coordinates","243983","2020-10-21","18:00:00","" "7125524","10.2274","0.0002","12.3429","0.0004","12.7112","0.0004","100.21","0.002","97.134","0.002","102","0.002","1522.92","0.08","293","2","293","2","","","","","","","synthesis as described","4","P -1","-P 1","2","[(CtBu)4P6CHSiMe3]","","","- C24 H46 P6 Si -","- C24 H46 P6 Si -","- C48 H92 P12 Si2 -","2","1","","Hitchcock, Peter B.; Nixon, John F.; Büyükkidan, Nurgün Sakarya","Remarkable organophosphorus cage compounds from the reaction of cobaltocene and the triphosphole P3C2But2CH(SiMe3) 2: crystal and molecular structures of [Co(η5-C5H5)(η4-C 4H4CHCHP6C4But 4)] and P6C4But4CH(SiMe3)","Chemical Communications","2001","","24","2720","","10.1039/b108125j","","x-ray","0.71073","MoKα","","0.0467","0.0358","","","0.0906","0.0985","","","","","","1.028","","","","has coordinates","243983","2020-10-21","18:00:00","" "7125525","22.5679","0.0015","22.5679","0.0015","13.0099","0.0012","90","","90","","90","","6626.1","0.9","293","2","293","2","","","","","","","","4","P 4/n n c :2","-P 4a 2bc","126","","[MoO(3,6-DBCat)2]4","","- C14 H20 Mo0.5 O2.5 -","- C14 H20 Mo0.5 O2.5 -","- C224 H320 Mo8 O40 -","16","1","","Liu, Cai-Ming; Restorp, Per; Nordlander, Ebbe; Pierpont, Cortlandt G.","Oxo-deficient dioxylene complexes of Mo(vi) containing 3,6-di-tert-butylcatechol","Chemical Communications","2001","","24","2686","","10.1039/b108220e","","","0.71073","MoKα","","0.0902","0.0584","","0.2116","0.1878","","","","1.261","1.373","1.373","","","","","has coordinates","243984","2020-10-21","18:00:00","" "7125526","12.2701","0.0005","16.7146","0.0007","18.4327","0.0006","92.217","0.001","90.072","0.001","93.114","0.001","3771.9","0.3","295","2","295","2","","","","","","","toluene","5","P -1","-P 1","2","MoO(DMSO)(3,6-DBCat)2","","","- C30 H46 Mo O6 S -","- C30 H46 Mo O6 S -","- C120 H184 Mo4 O24 S4 -","4","2","","Liu, Cai-Ming; Restorp, Per; Nordlander, Ebbe; Pierpont, Cortlandt G.","Oxo-deficient dioxylene complexes of Mo(vi) containing 3,6-di-tert-butylcatechol","Chemical Communications","2001","","24","2686","","10.1039/b108220e","","","0.71073","MoKα","","0.124","0.0656","","0.219","0.1879","","","","1.025","1.159","1.159","","","","","has coordinates","288535","2023-12-24","00:19:52","" "7125527","11.1595","0.0002","29.0306","0.0006","11.8944","0.0002","90","","116.703","0.001","90","","3442.42","0.11","144","2","144","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C34 H54 Mo O6 -","- C34 H54 Mo O6 -","- C136 H216 Mo4 O24 -","4","0.5","","Liu, Cai-Ming; Restorp, Per; Nordlander, Ebbe; Pierpont, Cortlandt G.","Oxo-deficient dioxylene complexes of Mo(vi) containing 3,6-di-tert-butylcatechol","Chemical Communications","2001","","24","2686","","10.1039/b108220e","","","0.71073","MoKα","","0.035","0.0316","","0.0916","0.0869","","","","1.031","1.018","1.018","","","","","has coordinates","243984","2020-10-21","18:00:00","" "7125528","12.5745","0.0002","12.3972","0.0002","14.2861","0.0002","90","","90","","90","","2227.04","0.06","223","5","223","5","","","","","","","","6","C m c e","-C 2ac 2","64","","","","- C8 H12 Ag F3 N2 O2 -","- C8 H12 Ag F3 N2 O2 -","- C64 H96 Ag8 F24 N16 O16 -","8","0.5","","Brammer, L.; Burgard, M. D.; Rodger, C. S.; Swearingen, J. K.; Rath, N. P.","Silver(I) carboxylates: versatile inorganic analogs of carboxylic acids for supramolecular network formation.","Chemical communications (Cambridge, England)","2001","","23","2468","2469","10.1039/b108448h","","","0.71073","MoKα","","0.0395","0.0367","","","0.0912","0.0929","","","","","","1.123","","","","has coordinates","243987","2020-10-21","18:00:00","" "7125529","9.0587","0.0002","9.1231","0.0002","9.6097","0.0002","117.553","0.001","116.433","0.001","91.471","0.001","603.07","0.03","223","2","223","5","","","","","","","","6","P -1","-P 1","2","","","","- C10 H12 Ag F3 N2 O2 -","- C10 H12 Ag F3 N2 O2 -","- C20 H24 Ag2 F6 N4 O4 -","2","1","","Brammer, L.; Burgard, M. D.; Rodger, C. S.; Swearingen, J. K.; Rath, N. P.","Silver(I) carboxylates: versatile inorganic analogs of carboxylic acids for supramolecular network formation.","Chemical communications (Cambridge, England)","2001","","23","2468","2469","10.1039/b108448h","","","0.71073","MoKα","","0.0225","0.0206","","","0.0509","0.0518","","","","","","1.053","","","","has coordinates","243987","2020-10-21","18:00:00","" "7125530","12.766","0.002","10.141","0.0016","7.0078","0.0011","90","","102.03","0.003","90","","887.3","0.2","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C6 H4 Ag F3 N2 O2 -","- C6 H4 Ag F3 N2 O2 -","- C24 H16 Ag4 F12 N8 O8 -","4","0.5","","Brammer, L.; Burgard, M. D.; Rodger, C. S.; Swearingen, J. K.; Rath, N. P.","Silver(I) carboxylates: versatile inorganic analogs of carboxylic acids for supramolecular network formation.","Chemical communications (Cambridge, England)","2001","","23","2468","2469","10.1039/b108448h","","","0.71073","MoKα","","0.0255","0.0242","","","0.0702","0.071","","","","","","1.413","","","","has coordinates","243987","2020-10-21","18:00:00","" "7125531","9.7493","0.0009","15.794","0.0015","17.251","0.002","90","","90","","90","","2656.3","0.5","143","2","143","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C24 H35 N O10 S -","- C24 H32.152 N O10 S -","- C96 H128.608 N4 O40 S4 -","4","1","","Enders, D.; Berner, O. M.; Vignola, N.; Bats, J. W.","Diastereo- and enantioselective synthesis of alpha,beta-disubstituted gamma-nitro methyl sulfonates.","Chemical communications (Cambridge, England)","2001","","23","2498","2499","10.1039/b108567k","","","0.71073","MoKα","","0.0629","0.0479","","","0.1073","0.1125","","","","","","1.22","","","","has coordinates,has disorder","243990","2020-10-21","18:00:00","" "7125532","11.83","0.002","8.6933","0.0017","14.914","0.003","90","","90","","90","","1533.8","0.5","150","2","150","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C14 H20 As Li N2 O2 -","- C28 H40 As2 Li2 N4 O4 -","- C56 H80 As4 Li4 N8 O8 -","2","0.5","","Paver, M. A.; Joy, J. S.; Hursthouse, M. B.","The first example of a diazaarsolyl anion: structure and coordination polymerisation of the aromatic metallacycle benzo[1,3,2]diazaarsolyl lithium.2THF.","Chemical communications (Cambridge, England)","2001","","23","2480","2481","10.1039/b108593j","","","0.71073","MoKα","","0.0454","0.0328","","","0.0699","0.0747","","","","","","1.03","","","","has coordinates","243991","2020-10-21","18:00:00","" "7125533","12.4355","0.0007","13.6661","0.0008","9.8989","0.0006","90","","90","","90","","1682.27","0.17","150","2","150","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C15 H24 O Si2 -","- C15 H24 O Si2 -","- C60 H96 O4 Si8 -","4","1","","Blake, Alexander J.; Giblin, Gerard M. P.; Kirk, Douglas T.; Simpkins, Nigel S.; Wilson, Claire","The enantioselective generation of bridgehead enolates","Chemical Communications","2001","","24","2668","","10.1039/b108986m","","","0.71073","MoKα","","0.0353","0.0318","","","0.08","0.082","","","","","","1.015","","","","has coordinates","243994","2020-10-21","18:00:00","" "7125534","6.1568","0.0006","7.4191","0.0007","12.9873","0.0012","90","","101.996","0.002","90","","580.28","0.1","150","2","150","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C12 H16 O Si -","- C12 H16 O Si -","- C24 H32 O2 Si2 -","2","1","","Blake, Alexander J.; Giblin, Gerard M. P.; Kirk, Douglas T.; Simpkins, Nigel S.; Wilson, Claire","The enantioselective generation of bridgehead enolates","Chemical Communications","2001","","24","2668","","10.1039/b108986m","","","0.71073","MoKα","","0.0276","0.0266","","","0.0709","0.0719","","","","","","1.058","","","","has coordinates","243994","2020-10-21","18:00:00","" "7125535","5.539","0.0006","7.2645","0.0008","10.4291","0.0011","83.673","0.002","83.789","0.002","80.624","0.002","409.77","0.08","193","2","193","2","","","","","","","","4","P -1","-P 1","2","","","","- C10 H7 N O2 -","- C10 H7 N O2 -","- C20 H14 N2 O4 -","2","1","","Ramtohul, Yeeman K.; Martin, Nathaniel I.; Silkin, Lara; James, Michael N. G.; Vederas, John C.","Pseudoxazolones, a new class of inhibitors for cysteine proteinases: inhibition of hepatitis A virus and human rhinovirus 3C proteinases","Chemical Communications","2001","","24","2740","","10.1039/b109095j","","","0.71073","MoKα","","0.0456","0.0374","","","0.0978","0.1037","","","","","","1.044","","","","has coordinates","243995","2020-10-21","18:00:00","" "7125536","6.0008","0.0008","7.237","0.0011","10.9282","0.0016","95.403","0.002","101.029","0.003","102.046","0.003","451.1","0.11","193","2","193","2","","","","","","","","4","P -1","-P 1","2","","","","- C11 H9 N O2 -","- C11 H9 N O2 -","- C22 H18 N2 O4 -","2","1","","Ramtohul, Yeeman K.; Martin, Nathaniel I.; Silkin, Lara; James, Michael N. G.; Vederas, John C.","Pseudoxazolones, a new class of inhibitors for cysteine proteinases: inhibition of hepatitis A virus and human rhinovirus 3C proteinases","Chemical Communications","2001","","24","2740","","10.1039/b109095j","","","0.71073","MoKα","","0.0758","0.0449","","","0.1016","0.1113","","","","","","0.953","","","","has coordinates","243995","2020-10-21","18:00:00","" "7125537","16.123","0.0003","8.683","0.0001","16.789","0.0003","90","","118.319","0.0007","90","","2069.1","0.06","293","2","293","2","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","","","- C24 H32 N4 -","- C24 H32 N4 -","- C96 H128 N16 -","4","1","","Tripier, Raphaël; Lagrange, Jean-Marie; Espinosa, Enrique; Denat, Franck; Guilard, Roger","From new tricyclic bisaminal derivatives to trans-N,N′-disubstituted cyclams","Chemical Communications","2001","","24","2728","","10.1039/b109199a","","","0.7107","MoKα","","0.0774","0.0499","","","0.1184","0.1343","","","","","","1.07","","","","has coordinates","243997","2020-10-21","18:00:00","" "7125538","12.399","0.0002","12.813","0.0002","12.525","0.0002","90","","96.354","0.0007","90","","1977.6","0.05","110","2","110","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C22 H30 N6 -","- C22 H30 N6 -","- C88 H120 N24 -","4","1","","Tripier, Raphaël; Lagrange, Jean-Marie; Espinosa, Enrique; Denat, Franck; Guilard, Roger","From new tricyclic bisaminal derivatives to trans-N,N′-disubstituted cyclams","Chemical Communications","2001","","24","2728","","10.1039/b109199a","","","0.7107","MoKα","","0.0588","0.046","","","0.1138","0.126","","","","","","1.103","","","","has coordinates","243997","2020-10-21","18:00:00","" "7125539","15.283","0.009","11.365","0.006","10.302","0.006","90","","95.31","0.04","90","","1781.7","1.8","150","2","150","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C26 H50 Cl2 N6 O4 Pd S4 -","- C26 H50 Cl2 N6 O4 Pd S4 -","- C52 H100 Cl4 N12 O8 Pd2 S8 -","2","0.5","","Love, Jason B.; Vere, Joanna M.; Glenny, Mark W.; Blake, Alexander J.; Schröder, Martin","Ditopic azathioether macrocycles as hosts for transition metal saltsElectronic supplementary information (ESI) available: full experimental details. See http://www.rsc.org/suppdata/cc/b1/b109486f/","Chemical Communications","2001","","24","2678","","10.1039/b109486f","","","0.71073","MoKα","","0.0722","0.0515","","","0.1223","0.138","","","","","","1.05","","","","has coordinates","243999","2020-10-21","18:00:00","" "7125540","9.419","0.006","17.06","0.02","33.09","0.02","90","","93.2","0.05","90","","5309","8","150","2","150","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C34 H66 Cl6 Cu3 N8 O5 S6 -","- C34 Cl6 Cu3 N8 O5 S6 -","- C136 Cl24 Cu12 N32 O20 S24 -","4","1","","Love, Jason B.; Vere, Joanna M.; Glenny, Mark W.; Blake, Alexander J.; Schröder, Martin","Ditopic azathioether macrocycles as hosts for transition metal saltsElectronic supplementary information (ESI) available: full experimental details. See http://www.rsc.org/suppdata/cc/b1/b109486f/","Chemical Communications","2001","","24","2678","","10.1039/b109486f","","","0.71073","MoKα","","0.218","0.128","","","0.257","0.303","","","","","","1.49","","","","has coordinates","243999","2020-10-21","18:00:00","" "7125541","34.987","0.011","8.892","0.003","16.046","0.007","90","","90","","90","","4992","3","150","2","150","2","","","","","","","","6","I b a 2","I 2 -2c","45","","","","- C17 H27 Ag N5 O5 S3 -","- C17 H27 Ag N5 O5 S3 -","- C136 H216 Ag8 N40 O40 S24 -","8","1","","Love, Jason B.; Vere, Joanna M.; Glenny, Mark W.; Blake, Alexander J.; Schröder, Martin","Ditopic azathioether macrocycles as hosts for transition metal saltsElectronic supplementary information (ESI) available: full experimental details. See http://www.rsc.org/suppdata/cc/b1/b109486f/","Chemical Communications","2001","","24","2678","","10.1039/b109486f","","","0.71073","MoKα","","0.0981","0.0651","","","0.135","0.165","","","","","","1.13","","","","has coordinates,has disorder","243999","2020-10-21","18:00:00","" "7125544","15.2398","0.0009","18.154","0.001","23.4615","0.0013","79.115","0.003","84.232","0.003","77.554","0.003","6212.2","0.6","200","2","200","2","","","","","","","","7","P -1","-P 1","2","","","","- C96 H105 F18 N15 O25 Pt3 S6 -","- C96 H105 F18 N15 O25 Pt3 S6 -","- C192 H210 F36 N30 O50 Pt6 S12 -","2","1","","Qin, Zengquan; Jennings, Michael C.; Puddephatt, Richard J.","Stacked molecular triangles: self-assembly using coordination chemistry and hydrogen bonding","Chemical Communications","2001","","24","2676","","10.1039/b109784a","","","0.71073","MoKα","","0.1711","0.096","","","0.262","0.3076","","","","","","1.018","","","","has coordinates,has disorder","244002","2020-10-21","18:00:00","" "7125545","8.5272","0.0006","18.3653","0.0013","13.3493","0.0009","90","","103.574","0.002","90","","2032.2","0.2","190","2","190","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C44 H32 Cl4 Co2 N4 O4 -","- C44 H32 Cl4 Co2 N4 O4 -","- C88 H64 Cl8 Co4 N8 O8 -","2","0.5","","Fiscus, Jeffrey E.; Shotwell, Sandra; Layland, Ralph C.; Smith, Mark D.; zur Loye, Hans-Conrad; Bunz, Uwe H. F.","Three unique coordination geometries involving 1,2-dimethoxy-4,5-bis(2-pyridylethynyl)benzene","Chemical Communications","2001","","24","2674","","10.1039/b109849g","","","0.71073","MoKα","","0.0504","0.0408","","","0.1065","0.1107","","","","","","1.038","","","","has coordinates","244003","2020-10-21","18:00:00","" "7125546","8.2357","0.0004","12.5088","0.0006","13.3128","0.0006","78.3","0.001","72.117","0.001","76.681","0.001","1257.12","0.1","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C27 H26 Cu N2 O7 -","- C27 H26 Cu N2 O7 -","- C54 H52 Cu2 N4 O14 -","2","1","","Fiscus, Jeffrey E.; Shotwell, Sandra; Layland, Ralph C.; Smith, Mark D.; zur Loye, Hans-Conrad; Bunz, Uwe H. F.","Three unique coordination geometries involving 1,2-dimethoxy-4,5-bis(2-pyridylethynyl)benzene","Chemical Communications","2001","","24","2674","","10.1039/b109849g","","","0.71073","MoKα","","0.0374","0.0334","","","0.091","0.0922","","","","","","0.996","","","","has coordinates","244003","2020-10-21","18:00:00","" "7125547","21.5985","0.0013","20.248","0.0012","8.0207","0.0005","90","","103.265","0.001","90","","3414.1","0.4","190","2","190","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C31 H30 Cl2 N2 O10 Rh2 -","- C31 H30 Cl2 N2 O10 Rh2 -","- C124 H120 Cl8 N8 O40 Rh8 -","4","0.5","","Fiscus, Jeffrey E.; Shotwell, Sandra; Layland, Ralph C.; Smith, Mark D.; zur Loye, Hans-Conrad; Bunz, Uwe H. F.","Three unique coordination geometries involving 1,2-dimethoxy-4,5-bis(2-pyridylethynyl)benzene","Chemical Communications","2001","","24","2674","","10.1039/b109849g","","","0.71073","MoKα","","0.0613","0.0502","","","0.1162","0.1222","","","","","","1.086","","","","has coordinates,has disorder","244003","2020-10-21","18:00:00","" "7125548","13.979","0.002","13.979","","23.869","0.003","90","","90","","120","","4039.4","0.8","170","2","170","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C6 H16.5 Fe0.5 O9 S1.5 -","- C6 H16.5 Fe0.5 O9 S1.5 -","- C72 H198 Fe6 O108 S18 -","12","0.666667","","Dalrymple, Sean A.; Parvez, Masood; Shimizu, George K. H.","Supramolecular encapsulation of hexaaquo metal ions by second sphere coordination","Chemical Communications","2001","","24","2672","","10.1039/b110129n","","","0.71069","MoKα","","0.0411","0.0276","","","0.0726","0.0791","","","","","","1.057","","","","has coordinates","244006","2020-10-21","18:00:00","" "7203980","5.2475","0.0009","13.795","0.002","11.689","0.002","90","","90","","90","","846.2","0.2","298","2","298","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- Co F Na2 O4 P -","- Co F Na2 O4 P -","- Co8 F8 Na16 O32 P8 -","8","1","","Sanz, Francisca; Parada, Carmen; Ruíz-Valero, Caridad","Crystal growth, crystal structure and magnetic properties of disodium cobalt fluorophosphate","Journal of Materials Chemistry","2001","11","1","208","","10.1039/b003150j","","","0.71073","MoKα","","0.1122","0.0632","","0.2624","0.1824","","","","1.061","0.923","0.923","","","","","has coordinates","176453","2020-10-21","18:00:00","" "7203983","13.795","0.003","12.83","0.003","18.815","0.005","90","","89.959","0.007","90","","3330.1","1.4","150","","","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C1.05 Al N0.35 O4 P -","- C1.05 Al N0.35 O4 P -","- C25.2 Al24 N8.4 O96 P24 -","24","3","","Maple, Martin J.; Philp, Eilidh F.; Slawin, Alexandra M. Z.; Lightfoot, Philip; Cox, Paul A.; Wright, Paul A.","Azamacrocycles and the azaoxacryptand 4,7,13,16,21,24-hexaoxa-1,10-diazabicyclo[8.8.8]hexacosane as structure-directing agents in the synthesis of microporous metalloaluminophosphates","Journal of Materials Chemistry","2001","11","1","98","104","10.1039/b003430o","","","0.6942","MonochromatedX-raysynchrotronradiation","","","0.0837","","","0.1056","","","","","3.344","3.344","","","","","has coordinates,has disorder","277935","2022-09-17","00:24:27","" "7203984","14.978","0.0008","14.72","0.0008","8.4792","0.0005","90","","98.323","0.001","90","","1849.77","0.18","293","2","293","2","","","","","","","-","7","P 1 21/c 1","-P 2ybc","14","","","","- C10 H25 Al Co N4 O8 P2 -","- C10 H25 Al Co N4 O8 P2 -","- C40 H100 Al4 Co4 N16 O32 P8 -","4","1","","Maple, Martin J.; Philp, Eilidh F.; Slawin, Alexandra M. Z.; Lightfoot, Philip; Cox, Paul A.; Wright, Paul A.","Azamacrocycles and the azaoxacryptand 4,7,13,16,21,24-hexaoxa-1,10-diazabicyclo[8.8.8]hexacosane as structure-directing agents in the synthesis of microporous metalloaluminophosphates","Journal of Materials Chemistry","2001","11","1","98","104","10.1039/b003430o","","","0.71073","MoKα","","0.0435","0.0285","","0.0818","0.0643","","","","0.984","1.042","1.042","","","","","has coordinates","277932","2022-09-16","23:04:30","" "7203985","23.99","0.008","23.99","0.008","23.99","0.008","90","","90","","90","","13807","8","150","","150","","","","","","","","","6","F m -3 c","-F 4a 2 3","226","","","","- C1.5 Al0.8 N0.17 O4.5 P Zn0.2 -","- C2.66983 Al0.8 N0.332 O4.996 P Zn0.2 -","- C256.304 Al76.8 N31.872 O479.616 P96 Zn19.2 -","96","0.5","","Maple, Martin J.; Philp, Eilidh F.; Slawin, Alexandra M. Z.; Lightfoot, Philip; Cox, Paul A.; Wright, Paul A.","Azamacrocycles and the azaoxacryptand 4,7,13,16,21,24-hexaoxa-1,10-diazabicyclo[8.8.8]hexacosane as structure-directing agents in the synthesis of microporous metalloaluminophosphates","Journal of Materials Chemistry","2001","11","1","98","104","10.1039/b003430o","","","0.6942","MonochromatedsynchrotronX-rays","","","0.1233","","","0.1329","","","","","8.098","8.098","","","","","has coordinates,has disorder","277936","2022-09-17","11:45:58","" "7204011","14.6581","0.0001","14.5933","0.0002","21.7985","0.0001","90","","100.32","0.001","90","","4587.48","0.07","120","1","120","1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C50 H62 O10 V -","- C50 H62 O10 V -","- C200 H248 O40 V4 -","4","1","","Lin, Raymond; Tsai, Chun-Hsien; Chao, Man-Qian; Lai, Chung K.","Columnar metallomesogens: vanadyl complexes derived from β,δ-triketones","Journal of Materials Chemistry","2001","11","2","359","","10.1039/b005759m","","","0.71073","MoKα","","0.1308","0.0693","","0.1589","0.1377","","","","1.041","1.181","1.181","","","","","has coordinates","180371","2020-10-21","18:00:00","" "7204012","7.991","0.002","26.326","0.005","6.588","0.0013","90","","90","","90","","1385.9","0.5","298","2","298","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C15 H19 N3 O2 -","- C15 H19 N3 O2 -","- C60 H76 N12 O8 -","4","1","","Antipin, Mikhail Yu.; Timofeeva, Tatiana V.; Clark, Ronald D.; Nesterov, Vladimir N.; Dolgushin, Fedor M.; Wu, Javier; Leyderman, Alex","Crystal structures and molecular mechanics calculation of nonlinear optical compounds: 2-cyclooctylamino-5-nitropyridine (COANP) and 2-adamantylamino-5-nitropyridine (AANP). New polymorphic modification of AANP and electro-optical effects","Journal of Materials Chemistry","2001","11","2","351","","10.1039/b005822j","","","0.71073","MoKα","","0.3264","0.0659","","0.231","0.0701","","","","0.863","1.36","1.36","","","","","has coordinates","202017","2020-10-21","18:00:00","" "7204013","28.31","0.01","6.612","0.002","7.474","0.002","90","","90","","90","","1399","0.8","298","2","298","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C15 H19 N3 O2 -","- C15 H19 N3 O2 -","- C60 H76 N12 O8 -","4","1","","Antipin, Mikhail Yu.; Timofeeva, Tatiana V.; Clark, Ronald D.; Nesterov, Vladimir N.; Dolgushin, Fedor M.; Wu, Javier; Leyderman, Alex","Crystal structures and molecular mechanics calculation of nonlinear optical compounds: 2-cyclooctylamino-5-nitropyridine (COANP) and 2-adamantylamino-5-nitropyridine (AANP). New polymorphic modification of AANP and electro-optical effects","Journal of Materials Chemistry","2001","11","2","351","","10.1039/b005822j","","","0.71073","MoKα","","0.2874","0.0719","","0.4079","0.1218","","","","1.008","1.247","1.247","","","","","has coordinates","202017","2020-10-21","18:00:00","" "7204014","26.099","0.005","6.637","0.002","7.555","0.002","90","","90","","90","","1308.7","0.6","167","2","167","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C13 H19 N3 O2 -","- C13 H19 N3 O2 -","- C52 H76 N12 O8 -","4","1","","Antipin, Mikhail Yu.; Timofeeva, Tatiana V.; Clark, Ronald D.; Nesterov, Vladimir N.; Dolgushin, Fedor M.; Wu, Javier; Leyderman, Alex","Crystal structures and molecular mechanics calculation of nonlinear optical compounds: 2-cyclooctylamino-5-nitropyridine (COANP) and 2-adamantylamino-5-nitropyridine (AANP). New polymorphic modification of AANP and electro-optical effects","Journal of Materials Chemistry","2001","11","2","351","","10.1039/b005822j","","","0.71073","MoKα","","0.1519","0.0592","","0.1637","0.1082","","","","1.021","1.205","1.205","","","","","has coordinates","202017","2020-10-21","18:00:00","" "7204015","26.285","0.005","6.647","0.001","7.631","0.002","90","","90","","90","","1333.3","0.5","293","2","293","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C13 H19 N3 O2 -","- C13 H19 N3 O2 -","- C52 H76 N12 O8 -","4","1","","Antipin, Mikhail Yu.; Timofeeva, Tatiana V.; Clark, Ronald D.; Nesterov, Vladimir N.; Dolgushin, Fedor M.; Wu, Javier; Leyderman, Alex","Crystal structures and molecular mechanics calculation of nonlinear optical compounds: 2-cyclooctylamino-5-nitropyridine (COANP) and 2-adamantylamino-5-nitropyridine (AANP). New polymorphic modification of AANP and electro-optical effects","Journal of Materials Chemistry","2001","11","2","351","","10.1039/b005822j","","","0.71073","MoKα","","0.1729","0.0736","","0.2592","0.1673","","","","1.068","1.238","1.238","","","","","has coordinates","202017","2020-10-21","18:00:00","" "7204016","28.158","0.006","6.584","0.002","7.395","0.001","90","","90","","90","","1371","0.5","163","2","163","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C15 H19 N3 O2 -","- C15 H19 N3 O2 -","- C60 H76 N12 O8 -","4","1","","Antipin, Mikhail Yu.; Timofeeva, Tatiana V.; Clark, Ronald D.; Nesterov, Vladimir N.; Dolgushin, Fedor M.; Wu, Javier; Leyderman, Alex","Crystal structures and molecular mechanics calculation of nonlinear optical compounds: 2-cyclooctylamino-5-nitropyridine (COANP) and 2-adamantylamino-5-nitropyridine (AANP). New polymorphic modification of AANP and electro-optical effects","Journal of Materials Chemistry","2001","11","2","351","","10.1039/b005822j","","","0.71073","MoKα","","0.1084","0.0513","","0.1535","0.1184","","","","1.022","1.073","1.073","","","","","has coordinates","202017","2020-10-21","18:00:00","" "7204017","4.9697","0.0006","16.1192","0.0011","10.6277","0.0017","90","","90","","90","","851.36","0.18","150","2","150","2","","","","","","","","4","P b c m","-P 2c 2b","57","","Yttrium silicon nitride oxide","","- N9 O Si5 Y3 -","- N9 O Si5 Y3 -","- N36 O4 Si20 Y12 -","4","0.5","","Liddell, Katharine; Thompson, Derek P.","The crystal structure of Y3Si5N9O and revision of the compositions of some high nitrogen-containing M‒Si‒O‒N (M = Y, La) phases","Journal of Materials Chemistry","2001","11","2","507","","10.1039/b006053o","","","0.6929","MoKα","","0.0331","0.0307","","","0.074","0.0748","","","","","","1.206","","","","has coordinates","180371","2020-10-21","18:00:00","" "7204018","7.877","0.004","14.141","0.002","14.541","0.002","90","","100.35","0.02","90","","1593.3","0.9","293.2","","","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C11 H6 S9 -","- C11 H6 S9 -","- C44 H24 S36 -","4","1","","Iwamatsu, Masaki; Kominami, Tsuyoshi; Ueda, Kazumasa; Sugimoto, Toyonari; Tada, Toshiji; Nishimura, Kei-ichiro; Adachi, Tomohiro; Fujita, Hideo; Guo, Fangzhun; Yokogawa, Shoichi; Yoshino, Harukazu; Murata, Keizo; Shiro, Motoo","Crystal structures, and electrical conduction and magnetic properties in CuCl4 salts of dimethylthio- and ethylenedithio-tetrathiafulvalenothioquinone-1,3-dithiolemethides","Journal of Materials Chemistry","2001","11","2","385","","10.1039/b006173p","","","0.7107","MoKα","","","0.0422","","","","0.0976","","","","","","1.09","","","","has coordinates","202017","2020-10-21","18:00:00","" "7204019","9.517","0.004","14.076","0.006","7.789","0.002","94.11","0.03","109.37","0.03","70.69","0.03","928.1","0.7","293.2","","","","","","","","","","","5","P -1","-P 1","2","","","","- C11 H8 Cl2 Cu0.5 S9 -","- C11 H8 Cl2 Cu0.5 S9 -","- C22 H16 Cl4 Cu S18 -","2","1","","Iwamatsu, Masaki; Kominami, Tsuyoshi; Ueda, Kazumasa; Sugimoto, Toyonari; Tada, Toshiji; Nishimura, Kei-ichiro; Adachi, Tomohiro; Fujita, Hideo; Guo, Fangzhun; Yokogawa, Shoichi; Yoshino, Harukazu; Murata, Keizo; Shiro, Motoo","Crystal structures, and electrical conduction and magnetic properties in CuCl4 salts of dimethylthio- and ethylenedithio-tetrathiafulvalenothioquinone-1,3-dithiolemethides","Journal of Materials Chemistry","2001","11","2","385","","10.1039/b006173p","","","0.7107","MoKα","","","0.0709","","","","0.1321","","","","","","1.533","","","","has coordinates","176453","2020-10-21","18:00:00","" "7204020","33.738","0.001","10.6239","0.0003","16.3825","0.0006","90","","95.552","0.001","90","","5844.4","0.3","200.2","","203.2","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C35 H18 Cl4 Cu S31 -","- C35 H18 Cl4 Cu S31 -","- C140 H72 Cl16 Cu4 S124 -","4","0.5","","Iwamatsu, Masaki; Kominami, Tsuyoshi; Ueda, Kazumasa; Sugimoto, Toyonari; Tada, Toshiji; Nishimura, Kei-ichiro; Adachi, Tomohiro; Fujita, Hideo; Guo, Fangzhun; Yokogawa, Shoichi; Yoshino, Harukazu; Murata, Keizo; Shiro, Motoo","Crystal structures, and electrical conduction and magnetic properties in CuCl4 salts of dimethylthio- and ethylenedithio-tetrathiafulvalenothioquinone-1,3-dithiolemethides","Journal of Materials Chemistry","2001","11","2","385","","10.1039/b006173p","","","0.7107","MoKα","","0.0755","0.0642","","0.1698","","0.151","","","1.0572","","","1.0572","","","","has coordinates","180371","2020-10-21","18:00:00","" "7204021","33.708","0.002","10.574","0.0004","16.401","0.0008","90","","95.609","0.002","90","","5817.8","0.5","120.2","","120.2","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C35 H18 Cl4 Cu S31 -","- C35 H18 Cl4 Cu S31 -","- C140 H72 Cl16 Cu4 S124 -","4","0.5","","Iwamatsu, Masaki; Kominami, Tsuyoshi; Ueda, Kazumasa; Sugimoto, Toyonari; Tada, Toshiji; Nishimura, Kei-ichiro; Adachi, Tomohiro; Fujita, Hideo; Guo, Fangzhun; Yokogawa, Shoichi; Yoshino, Harukazu; Murata, Keizo; Shiro, Motoo","Crystal structures, and electrical conduction and magnetic properties in CuCl4 salts of dimethylthio- and ethylenedithio-tetrathiafulvalenothioquinone-1,3-dithiolemethides","Journal of Materials Chemistry","2001","11","2","385","","10.1039/b006173p","","","0.7107","MoKα","","0.1174","0.0742","","0.1898","","0.1781","","","1.3071","","","1.3071","","","","has coordinates","180371","2020-10-21","18:00:00","" "7204022","33.851","0.004","10.79","0.01","16.474","0.003","90","","95.38","0.01","90","","5991","6","293.2","","293.2","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C35 H18 Cl4 Cu S31 -","- C35 H18 Cl4 Cu S31 -","- C140 H72 Cl16 Cu4 S124 -","4","0.5","","Iwamatsu, Masaki; Kominami, Tsuyoshi; Ueda, Kazumasa; Sugimoto, Toyonari; Tada, Toshiji; Nishimura, Kei-ichiro; Adachi, Tomohiro; Fujita, Hideo; Guo, Fangzhun; Yokogawa, Shoichi; Yoshino, Harukazu; Murata, Keizo; Shiro, Motoo","Crystal structures, and electrical conduction and magnetic properties in CuCl4 salts of dimethylthio- and ethylenedithio-tetrathiafulvalenothioquinone-1,3-dithiolemethides","Journal of Materials Chemistry","2001","11","2","385","","10.1039/b006173p","","","0.7107","MoKα","","0.2339","0.0936","","0.2313","","0.2313","","","1.186","","","1.186","","","","has coordinates","180371","2020-10-21","18:00:00","" "7204024","11.666","0.003","19.62","0.004","9.523","0.002","96.38","0.04","112.72","0.02","89.35","0.03","1996.9","0.9","293","2","293","2","","","","","","","Local laboratory","5","P 1","P 1","1","","","","- C62 H48 N8 O2 S32 -","- C64 H24 N8 S32 -","- C64 H24 N8 S32 -","1","1","","Saito, Gunzi; Sekizaki, Shuichi; Konsha, Akihiko; Yamochi, Hideki; Matsumoto, Kiyoshi; Kusunoki, Masami; Sakaguchi, Ken-ichi","A stable and flexible dianion: 2­dicyanomethylene­1,1,3,4,5,5­hexacyanopentenediide (DHCP2−), and its complex formation","Journal of Materials Chemistry","2001","11","2","364","","10.1039/b006426m","","","0.71069","MoKα","","0.1314","0.0521","","1.2934","0.1301","","","","1.084","1.157","1.157","","","","","has coordinates","180371","2020-10-21","18:00:00","" "7204025","15.365","0.007","21.369","0.009","12.961","0.005","99.92","0.03","105.22","0.05","77.02","0.05","3972","3","293","2","293","2","","","","","","","Local laboratory","5","P -1","-P 1","2","","","","- C62 H48 N8 O2 S32 -","- C64 H32 N8 S32 -","- C128 H64 N16 S64 -","2","1","","Saito, Gunzi; Sekizaki, Shuichi; Konsha, Akihiko; Yamochi, Hideki; Matsumoto, Kiyoshi; Kusunoki, Masami; Sakaguchi, Ken-ichi","A stable and flexible dianion: 2­dicyanomethylene­1,1,3,4,5,5­hexacyanopentenediide (DHCP2−), and its complex formation","Journal of Materials Chemistry","2001","11","2","364","","10.1039/b006426m","","","0.71073","MoKα","","0.1423","0.0603","","1.187","0.1764","","","","1.082","1.195","1.195","","","","","has coordinates,has disorder","180371","2020-10-21","18:00:00","" "7204026","10.851","0.004","14.492","0.005","19.113","0.007","97.43","0.03","96.38","0.04","102.84","0.03","2875.2","1.9","203","2","203","2","","","","","","","","5","P -1","-P 1","2","","","","- C42 H98 O14 Sr Ta2 -","- C42 H98 O14 Sr Ta2 -","- C84 H196 O28 Sr2 Ta4 -","2","1","","Jones, Anthony C.; Davies, Hywel O.; Leedham, Timothy J.; Wright, Peter J.; Crosbie, Michael J.; Steiner, Alexander; Bickley, Jamie F.; O'Brien, Paul; White, Andrew J. P.; Williams, David J.","Crystal structure of a strontium‒tantalum and a magnesium‒niobium heterometal alkoxide: precursors for the MOCVD of ferroelectric oxides","Journal of Materials Chemistry","2001","11","2","544","","10.1039/b006529n","","","0.71073","MoKα","","0.0787","0.0473","","0.113","0.0983","","","","1.027","1.091","1.091","","","","","has coordinates,has disorder","180371","2020-10-21","18:00:00","" "7204027","8.956","0.003","11.37","0.003","11.63","0.005","95.79","0.04","110.06","0.04","94.27","0.04","1099.2","0.7","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H72 Mg Nb2 O14 -","- C28 H72 Mg Nb2 O14 -","- C28 H72 Mg Nb2 O14 -","1","0.5","","Jones, Anthony C.; Davies, Hywel O.; Leedham, Timothy J.; Wright, Peter J.; Crosbie, Michael J.; Steiner, Alexander; Bickley, Jamie F.; O'Brien, Paul; White, Andrew J. P.; Williams, David J.","Crystal structure of a strontium‒tantalum and a magnesium‒niobium heterometal alkoxide: precursors for the MOCVD of ferroelectric oxides","Journal of Materials Chemistry","2001","11","2","544","","10.1039/b006529n","","","0.71073","MoKα","","0.0557","0.0478","","","0.1313","0.1366","","","","","","1.053","","","","has coordinates,has disorder","180371","2020-10-21","18:00:00","" "7204030","13.167","0.002","13.969","0.006","14.443","0.003","90","","90","","90","","2656.5","1.3","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C13 H17 N O2 S2 -","- C13 H16 N O2 S2 -","- C104 H128 N8 O16 S16 -","8","2","","Blake, Alexander J.; Bruce, Duncan W.; Danks, Jonathan P.; Fallis, Ian A.; Guillon, Daniel; Ross, Steven A.; Richtzenhain, Heiko; Schröder, Martin","Formation of columnar hexagonal mesophases near room temperature from functionalised [9]aneNS2 (1,4-dithia-7-azacyclononane)","Journal of Materials Chemistry","2001","11","4","1011","","10.1039/b006753i","","","0.71073","MoKα","","0.075","0.0574","","0.187","0.1545","","","","1.066","0.951","0.951","","","","","has coordinates","180371","2020-10-21","18:00:00","" "7204034","11.482","0.006","8.33","0.003","35.04","0.01","90","","94.87","0.04","90","","3339","2","50","","50","","","","","","","","","5","A 1 2/a 1","-A 2ya","15","","","","- C12 H8 N1.5 S4 Se4 -","- C12 H8 N1.5 S4 Se4 -","- C96 H64 N12 S32 Se32 -","8","1","","Narymbetov, Bakhyt Zh.; Canadell, Enric; Togonidze, Tamaz; Khasanov, Salavat S.; Zorina, Leokadiya V.; Shibaeva, Rimma P.; Kobayashi, Hayao","First-order phase transition in the organic metal κ-(BETS)2C(CN)3","Journal of Materials Chemistry","2001","11","2","332","","10.1039/b007174i","","","0.71069","MoKα","","","0.082","","","0.092","","","","","2.69","2.69","","","","","has coordinates","176453","2020-10-21","18:00:00","" "7204035","11.806","0.004","25.33","0.005","7.337","0.007","89","","104.65","0.04","89","","2122","2","296.2","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","2,4-bis(1-oxyl-3-oxide-4,4,5,5-tetramethyl-2-imidazolin-2-yl) phenol","","- C20 H27 N4 O5 -","- C20 H26.75 N4 O5 -","- C80 H107 N16 O20 -","4","1","","Hase, Syuichiro; Shiomi, Daisuke; Sato, Kazunobu; Takui, Takeji","Phenol-substituted nitronyl nitroxide biradicals with a triplet (S = 1) ground state","Journal of Materials Chemistry","2001","11","3","756","","10.1039/b007316o","","","1.5418","CuKα","","","0.0617","","","","0.1917","","","","","","4.844","","","","has coordinates","176453","2020-10-21","18:00:00","" "7204036","20.206","0.004","40.405","0.004","11.888","0.003","90","","90","","90","","9706","3","296.2","","","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","4-methyl-2,6-bis(1-oxyl-3-oxide-4,4,5,5-tetramethyl-2-imidazolin-2-yl) phenol","","- C45 H66 N8 O11 -","- C46 H58 N8 O10 -","- C368 H464 N64 O80 -","8","1","","Hase, Syuichiro; Shiomi, Daisuke; Sato, Kazunobu; Takui, Takeji","Phenol-substituted nitronyl nitroxide biradicals with a triplet (S = 1) ground state","Journal of Materials Chemistry","2001","11","3","756","","10.1039/b007316o","","","1.5418","CuKα","","","0.0587","","","","0.1428","","","","","","1.816","","","","has coordinates","176453","2020-10-21","18:00:00","" "7204037","9.349","0.002","12.953","0.002","9.294","0.002","105.866","0.014","98.569","0.015","107.584","0.015","998.6","0.4","293","2","293","2","","","","","","","","3","P -1","-P 1","2","1,3,6,8-tetrakis(dimethylamino)pyrene","1,3,6,8-tetrakis(dimethylamino)pyrene","","- C24 H30 N4 -","- C24 H30 N4 -","- C48 H60 N8 -","2","1","","Saito, Gunzi; Hirate, Seiji; Nishimura, Kazukuni; Yamochi, Hideki","Nature of the strong electron donor 1,3,6,8-tetrakis(dimethylamino)pyrene and ionicity of its charge transfer complexes","Journal of Materials Chemistry","2001","11","3","723","","10.1039/b007319i","","","0.71073","MoKα","","0.1445","0.1112","","","0.2986","0.3143","","","","","","1.935","","","","has coordinates","180371","2020-10-21","18:00:00","" "7204038","5.0629","0.0003","11.77","0.002","11.551","0.001","90","","91.039","0.006","90","","688.21","0.14","293","","293","","","","","","","","Solid state synthezis","4","P 1 21/n 1","-P 2yn","14","","Potassium tungsten(V) diphosphate","","- K O8 P2 W -","- K O8 P2 W -","- K4 O32 P8 W4 -","4","1","","Leclaire, A.; Chardon, J.; Raveau, B.","Stabilization of the tungstyl ion configuration: the W(v) diphosphate KWOP2O7","Journal of Materials Chemistry","2001","11","3","846","","10.1039/b007592m","","","0.71073","xray_tube","","","0.0357","","","","0.0356","","","","","","1.811","","","","has coordinates","211332","2020-10-21","18:00:00","" "7204039","8.7318","0.0007","9.5299","0.0008","19.3682","0.0016","90","","99.891","0.001","90","","1587.7","0.2","223","2","223","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C6 H8 I4 N4 Pb -","- C6 H8 I4 N4 Pb -","- C24 H32 I16 N16 Pb4 -","4","0.5","","Tang, Zhongjia; Guan, Jun; Guloy, Arnold M.","Synthesis and crystal structure of new organic-based layered perovskites with 2,2'-biimidazolium cations","Journal of Materials Chemistry","2001","11","2","479","","10.1039/b007639m","","","0.71073","MoKα","","0.0257","0.0243","","","0.0686","0.0702","","","","","","1.169","","","","has coordinates","176453","2020-10-21","18:00:00","" "7204040","8.7238","0.0008","9.5695","0.0009","19.288","0.002","90","","100.18","0.002","90","","1584.9","0.3","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C6 H8 I4 N4 Sn -","- C6 H6 I4 N4 Sn -","- C24 H24 I16 N16 Sn4 -","4","0.5","","Tang, Zhongjia; Guan, Jun; Guloy, Arnold M.","Synthesis and crystal structure of new organic-based layered perovskites with 2,2'-biimidazolium cations","Journal of Materials Chemistry","2001","11","2","479","","10.1039/b007639m","","","0.71073","MoKα","","0.0261","0.0231","","0.0555","0.0543","","","","1.047","1.064","1.064","","","","","has coordinates","180371","2020-10-21","18:00:00","" "7204041","6.39","0.0003","9.694","0.0004","7.287","0.0003","90","","90","","90","","451.39","0.03","293","2","293","2","","","","","","","","5","P m m n :2","-P 2ab 2a","59","","","","- Bi Br Cu3 O8 Se2 -","- Bi Br Cu3 O8 Se2 -","- Bi2 Br2 Cu6 O16 Se4 -","2","0.25","","Millet, P.; Bastide, B.; Pashchenko, V.; Gnatchenko, S.; Gapon, V.; Ksari, Y.; Stepanov, A.","Syntheses, crystal structures and magnetic properties of francisite compounds Cu3Bi(SeO3)2O2X (X = Cl, Br and I)","Journal of Materials Chemistry","2001","11","4","1152","","10.1039/b007920k","","","0.5623","","","0.0358","0.0313","","0.082","0.0791","","","","1.083","1.07","1.07","","","","","has coordinates","180371","2020-10-21","18:00:00","" "7204042","11.131","0.004","25.771","0.004","8.699","0.003","90","","90","","90","","2495.4","1.3","293","","293","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C12 H9 Cl2 N O3 -","- C12 H9 Cl2 N O3 -","- C96 H72 Cl16 N8 O24 -","8","1","","Easton, Christopher J.; Heath, Graham A.; Hughes, C. Merrîcc M.; Lee, Connie K. Y.; Savage, G. Paul; Simpson, Gregory W.; Tiekink, Edward R. T.; Vuckovic, George J.; Webster, Richard D.","Electrochemical and yeast-catalysed ring-opening of isoxazoles in the synthesis of analogues of the herbicide Grasp ®","Journal of the Chemical Society, Perkin Transactions 1","2001","","10","1168","","10.1039/b008081k","","","0.7107","MoKα","","","0.059","","","","0.048","","","","","","1.95","","","","has coordinates","202017","2020-10-21","18:00:00","" "7204043","14.092","0.004","8.212","0.005","21.719","0.004","90","","93.06","0.02","90","","2509.8","1.7","293","","293","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H9 Cl2 N O3 -","- C12 H9 Cl2 N O3 -","- C96 H72 Cl16 N8 O24 -","8","2","","Easton, Christopher J.; Heath, Graham A.; Hughes, C. Merrîcc M.; Lee, Connie K. Y.; Savage, G. Paul; Simpson, Gregory W.; Tiekink, Edward R. T.; Vuckovic, George J.; Webster, Richard D.","Electrochemical and yeast-catalysed ring-opening of isoxazoles in the synthesis of analogues of the herbicide Grasp ®","Journal of the Chemical Society, Perkin Transactions 1","2001","","10","1168","","10.1039/b008081k","","","0.7107","MoKα","","","0.063","","","","0.05","","","","","","2.09","","","","has coordinates","176453","2020-10-21","18:00:00","" "7204044","7.761","0.006","10.257","0.007","11.119","0.008","73.408","0.012","80.744","0.012","70.24","0.014","796.3","1","153","2","153","2","","","","","","","","4","P -1","-P 1","2","","","","- C19 H18 N2 O4 -","- C19 H18 N2 O4 -","- C38 H36 N4 O8 -","2","1","","Kay, A. J.; Woolhouse, A. D.; Gainsford, G. J.; Haskell, T. G.; Barnes, T. H.; McKinnie, I. T.; Wyss, C. P.","A simple, novel method for the preparation of polymer-tetherable, zwitterionic merocyanine NLO-chromophores","Journal of Materials Chemistry","2001","11","4","996","","10.1039/b008316j","","","0.71073","MoKα","","0.2327","0.072","","","0.1325","0.1719","","","0.793","","","1.217","","","","has coordinates,has disorder","180371","2020-10-21","18:00:00","" "7204045","14.437","0.004","13.763","0.004","17.278","0.004","90","","112.45","0.02","90","","3172.9","1.5","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","trimethylammonio-tempo iodide","N,N,N-trimethyl-(1-oxyl-2,2,6,6-tetramethylpiperidin-4-yl)ammonium iodide","","- C12 H26 I N2 O -","- C12 H26 I N2 O -","- C96 H208 I8 N16 O8 -","8","2","","Aonuma, Shuji; Casellas, Helene; Faulmann, Christophe; Garreau de Bonneval, Benedicte; Malfant, Isabelle; Cassoux, Patrick; Lacroix, Pascal G.; Hosokoshi, Yuko; Inoue, Katsuya","Structure and properties of novel M(dmit)2 salts with the Me3N+­TEMPO cation radical (Me3N+­TEMPO = N,N,N­trimethyl(1­oxyl­2,2,6,6­tetramethylpiperidin­4­yl)ammonium)","Journal of Materials Chemistry","2001","11","2","337","","10.1039/b008424g","","","0.71069","MoKα","","0.2193","0.0327","","","0.0785","0.1191","","","","","","0.92","","","","has coordinates","202017","2020-10-21","18:00:00","" "7204046","11.4","0.001","10.852","0.001","13.354","0.0017","90","","90","","90","","1652.1","0.3","160","2","160","2","","","","","","","","6","P n m a","-P 2ac 2n","62","trimethylammonio-tempo hexafluorophosphate","N,N,N-trimethyl-(1-oxyl-2,2,6,6-tetramethylpiperidin-4-yl)ammonium hexafluorophosphate","","- C12 H26 F6 N2 O P -","- C12 H26 F6 N2 O P -","- C48 H104 F24 N8 O4 P4 -","4","0.5","","Aonuma, Shuji; Casellas, Helene; Faulmann, Christophe; Garreau de Bonneval, Benedicte; Malfant, Isabelle; Cassoux, Patrick; Lacroix, Pascal G.; Hosokoshi, Yuko; Inoue, Katsuya","Structure and properties of novel M(dmit)2 salts with the Me3N+­TEMPO cation radical (Me3N+­TEMPO = N,N,N­trimethyl(1­oxyl­2,2,6,6­tetramethylpiperidin­4­yl)ammonium)","Journal of Materials Chemistry","2001","11","2","337","","10.1039/b008424g","","","0.71073","MoKα","","0.0519","0.0453","","","0.113","0.117","","","","","","1.072","","","","has coordinates,has disorder","180371","2020-10-21","18:00:00","" "7204047","14.5213","0.0017","15.982","0.003","18.15","0.005","90","","90","","90","","4212.2","1.5","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","bis(Me3N-Tempo)Ni(dmit)2","bis[(N,N,N-trimethyl-(1-oxyl-2,2,6,6-tetramethylpiperidin-4-yl)ammonium] bis(2-thioxo-1,3-dithiole-4,5-dithiolato-S4,S5)nickelate(II)","","- C30 H52 N4 Ni O2 S10 -","- C30 H52 N4 Ni O2 S10 -","- C120 H208 N16 Ni4 O8 S40 -","4","0.5","","Aonuma, Shuji; Casellas, Helene; Faulmann, Christophe; Garreau de Bonneval, Benedicte; Malfant, Isabelle; Cassoux, Patrick; Lacroix, Pascal G.; Hosokoshi, Yuko; Inoue, Katsuya","Structure and properties of novel M(dmit)2 salts with the Me3N+­TEMPO cation radical (Me3N+­TEMPO = N,N,N­trimethyl(1­oxyl­2,2,6,6­tetramethylpiperidin­4­yl)ammonium)","Journal of Materials Chemistry","2001","11","2","337","","10.1039/b008424g","","","0.71069","MoKα","","0.0633","0.0271","","","0.0525","0.0609","","","","","","1.023","","","","has coordinates","180371","2020-10-21","18:00:00","" "7204048","14.646","0.003","16.012","0.004","18.126","0.005","90","","90","","90","","4250.8","1.8","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","bis(Me3N-Tempo)Pd(dmit)2","bis[(N,N,N-trimethyl-(1-oxyl-2,2,6,6-tetramethylpiperidin-4-yl)ammonium] bis(2-thioxo-1,3-dithiole-4,5-dithiolato-S4,S5)palladate(II)","","- C30 H52 N4 O2 Pd S10 -","- C30 H52 N4 O2 Pd S10 -","- C120 H208 N16 O8 Pd4 S40 -","4","0.5","","Aonuma, Shuji; Casellas, Helene; Faulmann, Christophe; Garreau de Bonneval, Benedicte; Malfant, Isabelle; Cassoux, Patrick; Lacroix, Pascal G.; Hosokoshi, Yuko; Inoue, Katsuya","Structure and properties of novel M(dmit)2 salts with the Me3N+­TEMPO cation radical (Me3N+­TEMPO = N,N,N­trimethyl(1­oxyl­2,2,6,6­tetramethylpiperidin­4­yl)ammonium)","Journal of Materials Chemistry","2001","11","2","337","","10.1039/b008424g","","","0.71073","MoKα","","0.1712","0.0401","","","0.1048","0.1445","","","","","","0.968","","","","has coordinates","180371","2020-10-21","18:00:00","" "7204049","8.3716","0.0011","11.998","0.0019","28.592","0.004","90","","91.251","0.016","90","","2871.2","0.7","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","(Me3N-Tempo)Ni(dmit)2","[(N,N,N-trimethyl-(1-oxyl-2,2,6,6-tetramethylpiperidin-4-yl)ammonium] bis(2-thioxo-1,3-dithiole-4,5-dithiolato-S4,S5)nickelate(III)","","- C18 H26 N2 Ni O S10 -","- C18 H26 N2 Ni O S10 -","- C72 H104 N8 Ni4 O4 S40 -","4","1","","Aonuma, Shuji; Casellas, Helene; Faulmann, Christophe; Garreau de Bonneval, Benedicte; Malfant, Isabelle; Cassoux, Patrick; Lacroix, Pascal G.; Hosokoshi, Yuko; Inoue, Katsuya","Structure and properties of novel M(dmit)2 salts with the Me3N+­TEMPO cation radical (Me3N+­TEMPO = N,N,N­trimethyl(1­oxyl­2,2,6,6­tetramethylpiperidin­4­yl)ammonium)","Journal of Materials Chemistry","2001","11","2","337","","10.1039/b008424g","","","0.71073","MoKα","","0.3304","0.0715","","","0.1551","0.2509","","","","","","0.716","","","","has coordinates","180371","2020-10-21","18:00:00","" "7204050","13.8327","0.0004","13.8327","0.0004","13.8327","0.0004","90","","90","","90","","2646.8","0.13","293","2","293","2","","","","","","","","5","P n -3 :2","-P 2ab 2bc 3","201","","","","- Cl15 Lu3 Nb6 O6 Pb -","- Cl15 Lu3 Nb6 O6 Pb0.956 -","- Cl60 Lu12 Nb24 O24 Pb3.824 -","4","0.166667","","Gulo, Fakhili; Roisnel, Thierry; Perrin, Christiane","The crystal structure of PbLu3Nb6Cl15O6, a new oxychloride based on discrete Nb6Cl12O6 units","Journal of Materials Chemistry","2001","11","4","1237","","10.1039/b008609f","","","0.71073","MoKα","","0.0383","0.0316","","","0.0699","0.0726","","","","","","1.097","","","","has coordinates","180371","2020-10-21","18:00:00","" "7204051","9.2233","0.0005","11.5932","0.0006","17.8088","0.0009","93.863","0.001","94.543","0.001","103.071","0.001","1841.94","0.17","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","Bis(ethylenedithio)tetrathiafulvalenium 1-pentafluorothio-1,2,2-trifluoro-ethylsulfonate (2:1)","","- C22 H17 F8 O3 S18 -","- C21.996 H17 F7.988 O2.996 S18 -","- C43.992 H34 F15.976 O5.992 S36 -","2","1","","John A. Schlueter; Brian H. Ward; Urs Geiser; Hau H. Wang; Aravinda M. Kini; James Parakka; Emilio Morales; H.-J. Koo; M.-H. Whangbo; R. W. Winter; J. Mohtasham; Gary L. Gard","Crystal structure, physical properties and electronic structure of a new organic conductor β″-(BEDT-TTF)2SF5CHFCF2SO3","J. Mater. Chem.","2001","11","8","2008","2013","10.1039/b008735l","","","0.71073","MoKα","","0.1126","0.079","","","0.171","0.1922","","","","","","1.055","","","","has coordinates,has disorder","180371","2020-10-21","18:00:00","" "7204052","9.2462","0.0004","11.361","0.0005","17.7145","0.0008","94.121","0.001","94.914","0.001","103.139","0.001","1797.45","0.14","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","Bis(ethylenedithio)tetrathiafulvalenium 1-pentafluorothio-1,2,2-trifluoro-ethylsulfonate (2:1)","","- C22 H17 F8 O3 S18 -","- C22.006 H17 F8.018 O3.006 S18 -","- C44.012 H34 F16.036 O6.012 S36 -","2","1","","John A. Schlueter; Brian H. Ward; Urs Geiser; Hau H. Wang; Aravinda M. Kini; James Parakka; Emilio Morales; H.-J. Koo; M.-H. Whangbo; R. W. Winter; J. Mohtasham; Gary L. Gard","Crystal structure, physical properties and electronic structure of a new organic conductor β″-(BEDT-TTF)2SF5CHFCF2SO3","J. Mater. Chem.","2001","11","8","2008","2013","10.1039/b008735l","","","0.71073","MoKα","","0.0656","0.0527","","","0.1209","0.1301","","","","","","1.047","","","","has coordinates,has disorder","180371","2020-10-21","18:00:00","" "7204053","15.6","0.01","16.323","0.01","6.96","0.01","103.94","0.08","103.98","0.08","95.77","0.06","1645","3","288.2","","","","","","","","","","","8","P -1","-P 1","2","","","","- C27 H12 Cl0.5 F6 N4 O2 P S8 -","- C27 H14 Cl0.5 F6 N4 O2 P S8 -","- C54 H28 Cl F12 N8 O4 P2 S16 -","2","1","","Ise, Toshihiro; Mori, Takehiko; Takahashi, Kazuko","Preparation, crystal structures and electrical properties of PF6 and AsF6 salts of a novel furopyrazine-extended donor (BDTFP) with a two-leg ladder type orbital overlapping mode","Journal of Materials Chemistry","2001","11","2","264","","10.1039/b008758k","","","0.7107","MoKα","","","0.068","","","","0.0792","","","","","","0.296","","","","has coordinates","176453","2020-10-21","18:00:00","" "7204054","15.66","0.02","16.531","0.01","6.98","0.003","104.21","0.02","102.92","0.03","96.42","0.05","1681","3","288.2","","","","","","","","","","","8","P -1","-P 1","2","","","","- C27 H12 As Cl F6 N4 O2 S8 -","- C27 H14 As Cl0.5 F6 N4 O2 S8 -","- C54 H28 As2 Cl F12 N8 O4 S16 -","2","1","","Ise, Toshihiro; Mori, Takehiko; Takahashi, Kazuko","Preparation, crystal structures and electrical properties of PF6 and AsF6 salts of a novel furopyrazine-extended donor (BDTFP) with a two-leg ladder type orbital overlapping mode","Journal of Materials Chemistry","2001","11","2","264","","10.1039/b008758k","","","0.7107","MoKα","","","0.0782","","","","0.0884","","","","","","0.241","","","","has coordinates","176453","2020-10-21","18:00:00","" "7204055","14.577","0.002","22.601","0.004","22.184","0.003","90","","105.52","0.03","90","","7042","2","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","trans-4-[2-(3,4,5-trimethoxyphenyl)vinyl]benzoic acid / tris(imidazoline), 3:1 complex / ethanol hydrate","","- C70 H83 N6 O19.5 -","- C70 H75 N6 O19.5 -","- C280 H300 N24 O78 -","4","1","","Osterod, Frank; Peters, Lars; Kraft, Arno; Sano, Takeshi; Morrison, John J.; Feeder, Neil; Holmes, Andrew B.","Luminescent supramolecular assemblies based on hydrogen­bonded complexes of stilbenecarboxylic acids and dithieno[3,2­b:2',3'­d]thiophene­2­carboxylic acids with a tris(imidazoline) base","Journal of Materials Chemistry","2001","11","6","1625","","10.1039/b009406o","","","0.6919","Synchrotron","","0.2761","0.1586","","","0.3645","0.4216","","","","","","1.14","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00","" "7204056","9.8977","0.0007","32.031","0.002","16.209","0.001","90","","107.72","0.01","90","","4895","0.6","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","dithieno[3,2-b;2',3'-d]thiophene-2-carboxylic acid / tris(imidazoline), 3:1 complex / ethanol/chloroform solvate","","- C45 H37 Cl3 N6 O7 S9 -","- C45 H37 Cl3 N6 O7 S9 -","- C180 H148 Cl12 N24 O28 S36 -","4","1","","Osterod, Frank; Peters, Lars; Kraft, Arno; Sano, Takeshi; Morrison, John J.; Feeder, Neil; Holmes, Andrew B.","Luminescent supramolecular assemblies based on hydrogen­bonded complexes of stilbenecarboxylic acids and dithieno[3,2­b:2',3'­d]thiophene­2­carboxylic acids with a tris(imidazoline) base","Journal of Materials Chemistry","2001","11","6","1625","","10.1039/b009406o","","","0.6883","Synchrotron","","0.0905","0.0687","","","0.1764","0.1862","","","","","","0.969","","","","has coordinates","202017","2020-10-21","18:00:00","" "7204057","8.775","0.006","14.312","0.003","30.069","0.007","85.76","0.02","81.87","0.04","85.32","0.04","3718","3","223","2","223","2","","","","","","","","4","P -1","-P 1","2","","","","- C75 H110 N12 O10 -","- C75 H108 N12 O10 -","- C150 H216 N24 O20 -","2","1","","Reichert, Anja; Fröhlich, Roland; Ferguson, Roderick; Kraft, Arno","Binding interactions between 3-aryl-1,2,4-oxadiazol-5-ones and a trisimidazoline base","Journal of the Chemical Society, Perkin Transactions 1","2001","","11","1321","","10.1039/b009451j","","","1.54178","CuKα","","0.3872","0.0957","","","0.2043","0.3023","","","","","","0.959","","","","has coordinates","213973","2020-10-21","18:00:00","" "7204058","12.4117","0.0019","28.47","0.004","12.4864","0.0019","90","","98.596","0.003","90","","4362.6","1.1","193","2","193","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C39 H34 F12 N6 O P2 Ru S4 -","- C39 H34 F12 N6 O P2 Ru S4 -","- C156 H136 F48 N24 O4 P8 Ru4 S16 -","4","0.5","","MacLean, Brian J.; Pickup, Peter G.","Bithiophene‒bithiazole copolymers and their metal complexes","Journal of Materials Chemistry","2001","11","5","1357","","10.1039/b009568k","","","0.71073","MoKα","","0.1037","0.0785","","","0.212","0.2301","","","","","","1.023","","","","has coordinates","213973","2020-10-21","18:00:00","" "7204059","7.891","0.006","16.406","0.005","6.629","0.003","96.09","0.03","100.43","0.05","87.1","0.05","838.8","0.8","296.2","","296.2","","","","","","","","","6","P -1","-P 1","2","(BPT-TSF)2AsF6","","","- C24 H24 As F6 S4 Se8 -","- C25.8 As F6 S3.32 Se8 -","- C25.8 As F6 S3.32 Se8 -","1","0.5","","Jigami, Tetsuya; Kodani, Mie; Murakami, Satoshi; Takimiya, Kazuo; Aso, Yoshio; Otsubo, Tetsuo","Synthesis and properties of novel heterocycle-fused TTF-type electron donors: bis(propylenethio)tetrathiafulvalene (BPT-TTF), bis(propyleneseleno)tetrathiafulvalene (BPS-TTF), and their tetraselenafulvalene analogues (BPT-TSF and BPS-TSF)","Journal of Materials Chemistry","2001","11","4","1026","","10.1039/b009700o","","","0.7107","MoKα","","0.0326","0.0326","","","0.034","0.034","","","","","","3.303","","","","has coordinates","180371","2020-10-21","18:00:00","" "7204060","11.731","0.004","35.41","0.02","8.609","0.003","90.03","0.04","89.99","0.03","90.06","0.04","3576","3","296.2","","296.2","","","","","","","","","6","P n m a","-P 2ac 2n","62","(BPT-TSF)2-FeCl4","","","- C24 H24 Cl4 Fe S4 Se8 -","- C26.34 Cl4 Fe S3.14 Se8 -","- C105.36 Cl16 Fe4 S12.56 Se32 -","4","0.5","","Jigami, Tetsuya; Kodani, Mie; Murakami, Satoshi; Takimiya, Kazuo; Aso, Yoshio; Otsubo, Tetsuo","Synthesis and properties of novel heterocycle-fused TTF-type electron donors: bis(propylenethio)tetrathiafulvalene (BPT-TTF), bis(propyleneseleno)tetrathiafulvalene (BPS-TTF), and their tetraselenafulvalene analogues (BPT-TSF and BPS-TSF)","Journal of Materials Chemistry","2001","11","4","1026","","10.1039/b009700o","","","0.7107","MoKα","","0.0671","0.0671","","","0.055","0.055","","","","","","4.389","","","","has coordinates","176453","2020-10-21","18:00:00","" "7204061","10.793","0.004","15.769","0.005","8.312","0.003","93.85","0.03","109.43","0.02","88.04","0.03","1331","0.8","296.2","","296.2","","","","","","","","","5","P -1","-P 1","2","(BPS-TSF)2-SbF6","","","- C36 H36 As2 F12 Se18 -","- C38.84 As2 F12 Se17.5 -","- C38.84 As2 F12 Se17.5 -","1","0.5","","Jigami, Tetsuya; Kodani, Mie; Murakami, Satoshi; Takimiya, Kazuo; Aso, Yoshio; Otsubo, Tetsuo","Synthesis and properties of novel heterocycle-fused TTF-type electron donors: bis(propylenethio)tetrathiafulvalene (BPT-TTF), bis(propyleneseleno)tetrathiafulvalene (BPS-TTF), and their tetraselenafulvalene analogues (BPT-TSF and BPS-TSF)","Journal of Materials Chemistry","2001","11","4","1026","","10.1039/b009700o","","","0.7107","MoKα","","0.0421","0.0421","","","0.0455","0.0455","","","","","","1.689","","","","has coordinates","176453","2020-10-21","18:00:00","" "7204062","10.6231","0.0012","11.3337","0.001","12.491","0.003","73.503","0.009","89.978","0.01","79.759","0.008","1417","0.4","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C38 H30 N2 -","- C38 H30 N2 -","- C76 H60 N4 -","2","1","","XiaoMei Wang; Dong Wang; GuangYong Zhou; WenTao Yu; YuFang Zhou; Qi Fang; MinHua Jiang","Symmetric and asymmetric charge transfer process of two-photon absorbing chromophores: bis-donor substituted stilbenes, and substituted styrylquinolinium and styrylpyridinium derivatives","J. Mater. Chem.","2001","11","6","1600","1605","10.1039/b009769l","","","0.71073","MoKα","","0.1408","0.0562","","","0.1245","0.1586","","","","","","0.966","","","","has coordinates","180371","2020-10-21","18:00:00","" "7204063","18.6842","0.0012","18.6842","0.0012","9.408","0.0008","90","","90","","90","","3284.3","0.4","293","2","293","2","","","","","","","","8","P 4/n :2","-P 4a","85","nicoapo-sta7","","","- C3.8 H9.9 Al2.5 Co0.5 N1.1 Ni0.25 O12.5 P3 -","- C3.8 Al2.5 Co0.5 N1.1 Ni0.25 O12.5 P3 -","- C30.4 Al20 Co4 N8.8 Ni2 O100 P24 -","8","1","","Garcia, Raquel; Philp, Eilidh F.; Slawin, Alexandra M. Z.; Wright, Paul A.; Cox, Paul A.","Nickel complexed within an azamacrocycle as a structure directing agent in the crystallization of the framework metalloaluminophosphates STA-6 and STA-7","Journal of Materials Chemistry","2001","11","5","1421","","10.1039/b009813m","","","0.71073","MoKα","","0.1563","0.0781","","0.2645","0.1917","","","","1.079","1.081","1.081","","","","","has coordinates","176453","2020-10-21","18:00:00","" "7204064","8.8835","0.0019","6.8743","0.0015","9.5526","0.0017","90","","93.82","0.005","90","","582.1","0.2","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C2 H7 Al N O5 P -","- C2 H7 Al N O5 P -","- C8 H28 Al4 N4 O20 P4 -","4","1","","Wang, Kaixue; Yu, Jihong; Miao, Peng; Song, Yu; Li, Jiyang; Shi, Zhan; Xu, Ruren","A new layered aluminophosphate [C4H12N2][Al2P2O8(OH)2] templated by piperazine","Journal of Materials Chemistry","2001","11","7","1898","","10.1039/b010206g","","","0.71073","MoKα","","0.0384","0.0277","","","0.0689","0.0729","","","","","","1.096","","","","has coordinates","213973","2020-10-21","18:00:00","" "7204065","5.063","0.004","29.246","0.006","16.325","0.002","90","","95.98","0.03","90","","2404","2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","4-(p-anisidino)-8-tosylimino pyrimido[5,4-d]pyrimidina-2-one","","- C22 H24 N6 O7 S -","- C22 H24 N6 O7 S -","- C88 H96 N24 O28 S4 -","4","1","","Booth, Brian L.; Cabral, Isabel M.; Dias, Alice M.; Freitas, A. Paula; Matos Beja, Ana M.; Proença, M. Fernanda; Silva, Manuela Ramos","A new and efficient approach to the synthesis of 6-amidino-2-oxopurines","Journal of the Chemical Society, Perkin Transactions 1","2001","","10","1241","","10.1039/b010224p","","","0.71073","MoKα","","0.1246","0.0378","","","0.0925","0.1167","","","","","","0.987","","","","has coordinates","213973","2020-10-21","18:00:00","" "7204066","14.226","0.002","14.226","0.002","6.414","0.001","90","","90","","90","","1298.1","0.3","288.2","","288.2","","","","","","","","","7","P 4/m c c","-P 4 2c","124","","","","- C64 H32 As Co0.9 F6 N16 Ni1.1 -","- C32 H16 As0.12 Co0.12 F3.84 N8 Ni0.14 -","- C32 H16 As0.12 Co0.12 F3.84 N8 Ni0.14 -","1","0.0625","","Ding, Yuqin; Simonyan, Mkhital; Yonehara, Yukako; Uruichi, Mikio; Yakushi, Kyuya","Preparation and characterization of phthalocyanine-based organic alloy CoxNi1 − xPc(AsF6)0.5 (0 ≤ x ≤ 1)","Journal of Materials Chemistry","2001","11","5","1469","","10.1039/b100043h","","","0.7107","MoKα","","","0.0701","","","0.0727","","","","","2.138","2.138","","","","","has coordinates","176453","2020-10-21","18:00:00","" "7204067","14.033","0.004","28.54","0.01","6.435","0.002","90","","90","","90","","2577.2","1.4","288.2","","288.2","","","","","","","","","7","P n c 2","P 2 -2bc","30","","","","- C64 H32 As Co0.5 F6 N16 Ni1.5 -","- C64 H32 As0.5 Co0.5 F6 N16 Ni1.5 -","- C128 H64 As Co F12 N32 Ni3 -","2","0.5","","Ding, Yuqin; Simonyan, Mkhital; Yonehara, Yukako; Uruichi, Mikio; Yakushi, Kyuya","Preparation and characterization of phthalocyanine-based organic alloy CoxNi1 − xPc(AsF6)0.5 (0 ≤ x ≤ 1)","Journal of Materials Chemistry","2001","11","5","1469","","10.1039/b100043h","","","0.7107","MoKα","","","0.0677","","","0.0881","","","","","2.709","2.709","","","","","has coordinates","176453","2020-10-21","18:00:00","" "7204068","6.7026","0.0013","7.4586","0.0015","15.789","0.003","95.6","0.03","98.47","0.03","104.2","0.03","749.5","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","(EDT-TTFBr2)2 IBr2","Bis(3,4-dibromo-3',4'-ethylenedithiotetrathiafulvalene) dibromoiodide","","- C16 H8 Br6 I S12 -","- C16 H8 Br6 I S12 -","- C16 H8 Br6 I S12 -","1","0.5","","Benoît Domercq; Thomas Devic; Marc Fourmigué; Pascale Auban-Senzier; Enric Canadell","HalHal interactions in a series of three isostructural salts of halogenated tetrathiafulvalenes. Contribution of the halogen atoms to the HOMO‒HOMO overlap interactions","J. Mater. Chem.","2001","11","6","1570","1575","10.1039/b100103p","","","0.71073","MoKα","","0.0372","0.025","","","0.0504","0.0528","","","","","","0.904","","","","has coordinates","213973","2020-10-21","18:00:00","" "7204069","6.7796","0.0014","7.5112","0.0015","16.117","0.003","95.61","0.03","99.74","0.03","103.1","0.03","779.9","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","2(EDT-TTF-BR2), I3","Bis(3,4-dibromo-3',4'-ethylenedithiotetrathiafulvalene) triiodide","","- C8 H4 Br2 I1.5 S6 -","- C8 H4 Br2 I1.5 S6 -","- C16 H8 Br4 I3 S12 -","2","1","","Benoît Domercq; Thomas Devic; Marc Fourmigué; Pascale Auban-Senzier; Enric Canadell","HalHal interactions in a series of three isostructural salts of halogenated tetrathiafulvalenes. Contribution of the halogen atoms to the HOMO‒HOMO overlap interactions","J. Mater. Chem.","2001","11","6","1570","1575","10.1039/b100103p","","","0.71073","MoKα","","0.0384","0.0256","","","0.0504","0.0527","","","","","","0.845","","","","has coordinates","176453","2020-10-21","18:00:00","" "7204070","7.0316","0.0014","7.6515","0.0015","16.138","0.003","95.2","0.03","98.54","0.03","103.49","0.03","827.8","0.3","293","2","293","2","","","","","","","","4","P -1","-P 1","2","2(EDT-TTF-I2), I3","Bis(3,4-diiodo-3',4'-ethylenedithiotetrathiafulvalene), triiodide","","- C16 H8 I7 S12 -","- C16 H8 I7 S12 -","- C16 H8 I7 S12 -","1","0.5","","Benoît Domercq; Thomas Devic; Marc Fourmigué; Pascale Auban-Senzier; Enric Canadell","HalHal interactions in a series of three isostructural salts of halogenated tetrathiafulvalenes. Contribution of the halogen atoms to the HOMO‒HOMO overlap interactions","J. Mater. Chem.","2001","11","6","1570","1575","10.1039/b100103p","","","0.71073","MoKα","","0.0529","0.0456","","","0.1172","0.1207","","","","","","1.104","","","","has coordinates","213973","2020-10-21","18:00:00","" "7204071","8.2993","0.0017","9.3651","0.0019","9.707","0.0019","104.7","0.02","104.99","0.02","96.58","0.02","691.7","0.3","213","2","213","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H48 N4 O8 Ti2 -","- C20 H48 N4 O8 Ti2 -","- C20 H48 N4 O8 Ti2 -","1","0.5","","Jones, Anthony C.; Williams, Paul A.; Bickley, Jamie F.; Steiner, Alexander; Davies, Hywel O.; Leedham, Timothy J.; Awaluddin, Amir; Pemble, Martyn E.; Critchlow, Gary W.","Synthesis and crystal structures of two new titanium alkoxy‒diolate complexes. Potential precursors for oxide ceramics","Journal of Materials Chemistry","2001","11","5","1428","","10.1039/b100411p","","","0.71073","MoKα","","0.0516","0.0355","","","0.0799","0.0833","","","","","","0.913","","","","has coordinates","180371","2020-10-21","18:00:00","" "7204072","9.3358","0.0014","10.0168","0.0016","11.4403","0.0018","110.358","0.017","107.365","0.018","99.353","0.018","913.9","0.3","213","2","213","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H64 N4 O8 Ti2 -","- C28 H64 N4 O8 Ti2 -","- C28 H64 N4 O8 Ti2 -","1","0.5","","Jones, Anthony C.; Williams, Paul A.; Bickley, Jamie F.; Steiner, Alexander; Davies, Hywel O.; Leedham, Timothy J.; Awaluddin, Amir; Pemble, Martyn E.; Critchlow, Gary W.","Synthesis and crystal structures of two new titanium alkoxy‒diolate complexes. Potential precursors for oxide ceramics","Journal of Materials Chemistry","2001","11","5","1428","","10.1039/b100411p","","","0.71073","MoKα","","0.0377","0.0299","","","0.0794","0.0823","","","","","","1.014","","","","has coordinates","180371","2020-10-21","18:00:00","" "7204073","11.391","0.004","12.414","0.003","12.846","0.004","71.04","0.03","68.39","0.02","66.88","0.02","1518.3","0.9","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C10 H14 F2 Ga6 N2 O25 P6 -","- C10 H12 F2 Ga6 N2 O25 P6 -","- C20 H24 F4 Ga12 N4 O50 P12 -","2","1","","Wragg, David S.; Slawin, Alexandra M. Z.; Morris, Russell E.","The synthesis of gallium phosphate frameworks with and without fluoride ions present: attempts to direct the synthesis of double four-ring containing materials","Journal of Materials Chemistry","2001","11","7","1850","","10.1039/b100471i","","","0.6849","","","0.0481","0.0454","","","0.1272","0.1288","","","","","","1.207","","","","has coordinates","213973","2020-10-21","18:00:00","" "7204074","9.265","0.005","9.397","0.008","9.238","0.005","94.36","0.06","90.64","0.05","103.67","0.05","778.9","0.9","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C10 H14 F2 Ga6 N2 O25 P6 -","- C10 H12 F2 Ga6 N2 O25 P6 -","- C10 H12 F2 Ga6 N2 O25 P6 -","1","0.5","","Wragg, David S.; Slawin, Alexandra M. Z.; Morris, Russell E.","The synthesis of gallium phosphate frameworks with and without fluoride ions present: attempts to direct the synthesis of double four-ring containing materials","Journal of Materials Chemistry","2001","11","7","1850","","10.1039/b100471i","","","0.71073","MoKα","","0.0313","0.0276","","","0.0788","0.0809","","","","","","1.02","","","","has coordinates","213973","2020-10-21","18:00:00","" "7204075","12.157","0.003","14.202","0.003","13.065","0.005","90","","91.848","0.002","90","","2254.5","1.1","293","2","293","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C10 H13 F2 Ga4 N2 O17 P4 -","- C10 H14 F2 Ga4 N2 O17 P4 -","- C40 H56 F8 Ga16 N8 O68 P16 -","4","1","","Wragg, David S.; Slawin, Alexandra M. Z.; Morris, Russell E.","The synthesis of gallium phosphate frameworks with and without fluoride ions present: attempts to direct the synthesis of double four-ring containing materials","Journal of Materials Chemistry","2001","11","7","1850","","10.1039/b100471i","","","0.71073","MoKα","","0.0776","0.0485","","","0.1437","0.1593","","","","","","1.123","","","","has coordinates","213973","2020-10-21","18:00:00","" "7204076","13.016","0.003","13.016","0.003","7.356","0.004","90","","90","","90","","1246.2","0.8","293","2","293","2","","","","","","","","6","I -4 2 m","I -4 2","121","","","","- C10 H20 Ga4 N2 O21 P4 -","- C12 H12 Ga4 O21 P4 -","- C24 H24 Ga8 O42 P8 -","2","0.125","","Wragg, David S.; Slawin, Alexandra M. Z.; Morris, Russell E.","The synthesis of gallium phosphate frameworks with and without fluoride ions present: attempts to direct the synthesis of double four-ring containing materials","Journal of Materials Chemistry","2001","11","7","1850","","10.1039/b100471i","","","1.54178","CuKα","","0.079","0.0704","","0.1953","0.1838","","","","1.089","1.111","1.111","","","","","has coordinates","212870","2020-10-21","18:00:00","" "7204077","13.9001","0.0005","7.3319","0.0002","16.3165","0.0005","90","","90","","90","","1662.88","0.09","295","","","","","","","","","","","4","P n n m","-P 2 2n","58","","","","- C40.5 H26 Fe N11.5 -","- C40.5 H16 Fe N11.5 -","- C81 H32 Fe2 N23 -","2","0.25","","Matsuda, Masaki; Naito, Toshio; Inabe, Tamotsu; Hanasaki, Noriaki; Tajima, Hiroyuki","Structure and electrical and magnetic properties of (PTMA)x[M(Pc)(CN)2]·y(solvent) (PTMA = phenyltrimethylammonium and [M(Pc)(CN)2] = dicyano(phthalocyaninato)Miii with M = Co and Fe). Partial oxidation by partial solvent occupation of the cationic site","Journal of Materials Chemistry","2001","11","10","2493","","10.1039/b100623l","","","0.7107","MoKα","","","0.0505","","","","0.0577","","","","","","3.182","","","","has coordinates","176453","2020-10-21","18:00:00","" "7204078","13.8706","0.0006","7.3498","0.0003","16.2958","0.0007","90","","90","","90","","1661.29","0.12","295","","","","","","","","","","","4","P n n m","-P 2 2n","58","","","","- C40.5 H26 Co N11.5 -","- C40.5 H16 Co N11.5 -","- C81 H32 Co2 N23 -","2","0.25","","Matsuda, Masaki; Naito, Toshio; Inabe, Tamotsu; Hanasaki, Noriaki; Tajima, Hiroyuki","Structure and electrical and magnetic properties of (PTMA)x[M(Pc)(CN)2]·y(solvent) (PTMA = phenyltrimethylammonium and [M(Pc)(CN)2] = dicyano(phthalocyaninato)Miii with M = Co and Fe). Partial oxidation by partial solvent occupation of the cationic site","Journal of Materials Chemistry","2001","11","10","2493","","10.1039/b100623l","","","0.7107","MoKα","","","0.0467","","","","0.046","","","","","","2.387","","","","has coordinates","176453","2020-10-21","18:00:00","" "7204079","13.85","0.001","7.2494","0.0004","16.155","0.001","90","","90","","90","","1622.03","0.18","123","","","","","","","","","","","4","P n n m","-P 2 2n","58","","","","- C40.5 H26 Fe N11.5 -","- C41.5 H16 Fe N11.5 -","- C83 H32 Fe2 N23 -","2","0.25","","Matsuda, Masaki; Naito, Toshio; Inabe, Tamotsu; Hanasaki, Noriaki; Tajima, Hiroyuki","Structure and electrical and magnetic properties of (PTMA)x[M(Pc)(CN)2]·y(solvent) (PTMA = phenyltrimethylammonium and [M(Pc)(CN)2] = dicyano(phthalocyaninato)Miii with M = Co and Fe). Partial oxidation by partial solvent occupation of the cationic site","Journal of Materials Chemistry","2001","11","10","2493","","10.1039/b100623l","","","0.7107","MoKα","","","0.0512","","","","0.0534","","","","","","2.943","","","","has coordinates","176453","2020-10-21","18:00:00","" "7204080","13.6682","0.0005","7.3102","0.0002","16.3705","0.0007","90","","90","","90","","1635.7","0.1","113","","","","","","","","","","","5","P n n m","-P 2 2n","58","","","","- C41.5 H30 Co N10.5 O -","- C40.5 H16 Co N11.5 O -","- C81 H32 Co2 N23 O2 -","2","0.25","","Matsuda, Masaki; Naito, Toshio; Inabe, Tamotsu; Hanasaki, Noriaki; Tajima, Hiroyuki","Structure and electrical and magnetic properties of (PTMA)x[M(Pc)(CN)2]·y(solvent) (PTMA = phenyltrimethylammonium and [M(Pc)(CN)2] = dicyano(phthalocyaninato)Miii with M = Co and Fe). Partial oxidation by partial solvent occupation of the cationic site","Journal of Materials Chemistry","2001","11","10","2493","","10.1039/b100623l","","","0.7107","MoKα","","","0.0432","","","","0.053","","","","","","1.343","","","","has coordinates","176453","2020-10-21","18:00:00","" "7204081","16.148","0.0005","10.2577","0.0003","13.9283","0.0004","90","","92.572","0.002","90","","2304.78","0.12","173","0.2","173","0.2","","","","","","","","4","C 1 2/m 1","-C 2y","12","","","","- C30 H28 B N -","- C30 H28 B N -","- C120 H112 B4 N4 -","4","0.5","","Kiviniemi, Sari; Nissinen, Maija; Alaviuhkola, Terhi; Rissanen, Kari; Pursiainen, Jouni","The complexation of tetraphenylborate with organic N-heteroaromatic cations","Journal of the Chemical Society, Perkin Transactions 2","2001","","12","2364","","10.1039/b100775k","","","0.71073","MoKα","","0.0504","0.0429","","","0.1052","0.111","","","","","","1.062","","","","has coordinates","213973","2020-10-21","18:00:00","" "7204082","13.049","0.0005","9.9316","0.0004","19.1286","0.0006","90","","91.065","0.002","90","","2478.59","0.16","173","0.2","173","0.2","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","","","- C30 H30 B N3 -","- C30 H30 B N3 -","- C120 H120 B4 N12 -","4","1","","Kiviniemi, Sari; Nissinen, Maija; Alaviuhkola, Terhi; Rissanen, Kari; Pursiainen, Jouni","The complexation of tetraphenylborate with organic N-heteroaromatic cations","Journal of the Chemical Society, Perkin Transactions 2","2001","","12","2364","","10.1039/b100775k","","","0.71073","MoKα","","0.1008","0.0872","","","0.1994","0.2064","","","","","","1.163","","","","has coordinates","213973","2020-10-21","18:00:00","" "7204083","11.228","0.0006","16.22","0.001","16.2719","0.0007","90","","98.991","0.003","90","","2927","0.3","173","0.2","173","0.2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C35 H35 B N2 O2 -","- C35 H35 B N2 O2 -","- C140 H140 B4 N8 O8 -","4","1","","Kiviniemi, Sari; Nissinen, Maija; Alaviuhkola, Terhi; Rissanen, Kari; Pursiainen, Jouni","The complexation of tetraphenylborate with organic N-heteroaromatic cations","Journal of the Chemical Society, Perkin Transactions 2","2001","","12","2364","","10.1039/b100775k","","","0.71073","MoKα","","0.1344","0.0823","","","0.2035","0.2342","","","","","","1.036","","","","has coordinates,has disorder","213973","2020-10-21","18:00:00","" "7204084","27.494","0.001","9.4662","0.0006","20.009","0.001","90","","127.67","0.03","90","","4122.1","1.7","173","0.2","173","0.2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C27 H23 B N2 -","- C27 H23 B N2 -","- C216 H184 B8 N16 -","8","1","","Kiviniemi, Sari; Nissinen, Maija; Alaviuhkola, Terhi; Rissanen, Kari; Pursiainen, Jouni","The complexation of tetraphenylborate with organic N-heteroaromatic cations","Journal of the Chemical Society, Perkin Transactions 2","2001","","12","2364","","10.1039/b100775k","","","0.71073","MoKα","","0.0957","0.0498","","","0.0956","0.1119","","","","","","1.021","","","","has coordinates","213973","2020-10-21","18:00:00","" "7204085","7.1341","0.0009","15.305","0.002","15.559","0.002","90","","90.138","0.008","90","","1698.8","0.4","173","0.2","173","0.2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C22 H19 B N2 -","- C22 H19 B N2 -","- C88 H76 B4 N8 -","4","1","","Kiviniemi, Sari; Nissinen, Maija; Alaviuhkola, Terhi; Rissanen, Kari; Pursiainen, Jouni","The complexation of tetraphenylborate with organic N-heteroaromatic cations","Journal of the Chemical Society, Perkin Transactions 2","2001","","12","2364","","10.1039/b100775k","","","0.71073","MoKα","","0.1049","0.0751","","","0.1622","0.1781","","","","","","1.153","","","","has coordinates","213973","2020-10-21","18:00:00","" "7204086","10.0245","0.0003","12.7797","0.0004","19.037","0.0003","90","","90","","90","","2438.83","0.11","173","0.2","173","0.2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C29 H28 B N3 -","- C29 H28 B N3 -","- C116 H112 B4 N12 -","4","1","","Kiviniemi, Sari; Nissinen, Maija; Alaviuhkola, Terhi; Rissanen, Kari; Pursiainen, Jouni","The complexation of tetraphenylborate with organic N-heteroaromatic cations","Journal of the Chemical Society, Perkin Transactions 2","2001","","12","2364","","10.1039/b100775k","","","0.71073","MoKα","","0.0461","0.0423","","","0.1102","0.1127","","","","","","1.055","","","","has coordinates","213973","2020-10-21","18:00:00","" "7204087","24.3436","0.0008","11.0632","0.0004","16.4744","0.0006","90","","130.343","0.002","90","","3381.7","0.2","173","0.2","173","0.2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C21 H19 B N2 -","- C21 H19 B N2 -","- C168 H152 B8 N16 -","8","1","","Kiviniemi, Sari; Nissinen, Maija; Alaviuhkola, Terhi; Rissanen, Kari; Pursiainen, Jouni","The complexation of tetraphenylborate with organic N-heteroaromatic cations","Journal of the Chemical Society, Perkin Transactions 2","2001","","12","2364","","10.1039/b100775k","","","0.71073","MoKα","","0.0401","0.0363","","","0.0853","0.0877","","","","","","1.1","","","","has coordinates","213973","2020-10-21","18:00:00","" "7204088","4.716","0.002","16.583","0.002","6.709","0.002","90","","104.84","0.02","90","","507.2","0.3","223.7","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C10 H8 N4 O2 -","- C10 H8 N4 O2 -","- C20 H16 N8 O4 -","2","0.5","","Sugiura, Ken-ichi; Mikami, Shinji; Johnson, Mitchell T.; Raebiger, James W.; Miller, Joel S.; Iwasaki, Kentaro; Okada, Yuko; Hino, Shojun; Sakata, Yoshiteru","Ferrimagnetic ordering of one-dimensional N,N'-dicyanoquinone diimine (DCNQI) electron transfer salts with porphyrinatomanganese(II)","Journal of Materials Chemistry","2001","11","9","2152","","10.1039/b100936m","","","0.7107","MoKα","","","0.0529","","","","0.0782","","","","","","1.272","","","","has coordinates","176453","2020-10-21","18:00:00","" "7204089","12.988","0.005","20.02","0.006","15.548","0.005","90","","104.6","0.03","90","","3912","2","198.2","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C90 H80 Cl4 Mn N8 -","- C90 H78 Cl4 Mn N8 -","- C180 H156 Cl8 Mn2 N16 -","2","0.5","","Sugiura, Ken-ichi; Mikami, Shinji; Johnson, Mitchell T.; Raebiger, James W.; Miller, Joel S.; Iwasaki, Kentaro; Okada, Yuko; Hino, Shojun; Sakata, Yoshiteru","Ferrimagnetic ordering of one-dimensional N,N'-dicyanoquinone diimine (DCNQI) electron transfer salts with porphyrinatomanganese(II)","Journal of Materials Chemistry","2001","11","9","2152","","10.1039/b100936m","","","0.7107","MoKα","","","0.1095","","","","0.1653","","","","","","1.942","","","","has coordinates","176453","2020-10-21","18:00:00","" "7204090","12.795","0.002","14.082","0.002","12.042","0.002","104.33","0.01","95.09","0.02","111.35","0.01","1919.1","0.6","223.2","","","","","","","","","","","5","P -1","-P 1","2","","","","- C90 H90 Mn N8 O2 -","- C90 H90 Mn N8 O2 -","- C90 H90 Mn N8 O2 -","1","0.5","","Sugiura, Ken-ichi; Mikami, Shinji; Johnson, Mitchell T.; Raebiger, James W.; Miller, Joel S.; Iwasaki, Kentaro; Okada, Yuko; Hino, Shojun; Sakata, Yoshiteru","Ferrimagnetic ordering of one-dimensional N,N'-dicyanoquinone diimine (DCNQI) electron transfer salts with porphyrinatomanganese(II)","Journal of Materials Chemistry","2001","11","9","2152","","10.1039/b100936m","","","0.7107","MoKα","","","0.0602","","","","0.085","","","","","","1.657","","","","has coordinates","176453","2020-10-21","18:00:00","" "7204091","10.2732","0.0002","19.9494","0.0003","35.0304","0.0006","90","","92.969","0.001","90","","7169.6","0.2","120","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","ET4NH4Fe(OX)3C6H5NO2","","","- C26 H20.5 Fe0.5 N O7 S16 -","- C26 H20.5 Fe0.5 N O7 S16 -","- C208 H164 Fe4 N8 O56 S128 -","8","1","","Rashid, Samina; Turner, Scott S.; Day, Peter; Howard, Judith A. K.; Guionneau, Philippe; McInnes, Eric J. L.; Mabbs, Frank E.; Clark, Robin J. H.; Firth, Steven; Biggs, Tim","New superconducting charge-transfer salts (BEDT-TTF)4[A·M(C2O4)3]·C6H5NO2 (A = H3O or NH4, M = Cr or Fe, BEDT-TTF = bis(ethylenedithio)tetrathiafulvalene)","Journal of Materials Chemistry","2001","11","9","2095","","10.1039/b101134k","","","0.71073","MoKα","","0.0527","0.0378","","0.08","0.0724","","","","1.13","1.141","1.141","","","","","has coordinates","176453","2020-10-21","18:00:00","" "7204092","10.2834","0.0001","19.9172","0.0001","34.9399","0.0002","90","","93.299","0.001","90","","7144.41","0.09","120","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C26 H20.5 Cr0.5 N O7 S16 -","- C26 H20.5 Cr0.5 N O7 S16 -","- C208 H164 Cr4 N8 O56 S128 -","8","1","","Rashid, Samina; Turner, Scott S.; Day, Peter; Howard, Judith A. K.; Guionneau, Philippe; McInnes, Eric J. L.; Mabbs, Frank E.; Clark, Robin J. H.; Firth, Steven; Biggs, Tim","New superconducting charge-transfer salts (BEDT-TTF)4[A·M(C2O4)3]·C6H5NO2 (A = H3O or NH4, M = Cr or Fe, BEDT-TTF = bis(ethylenedithio)tetrathiafulvalene)","Journal of Materials Chemistry","2001","11","9","2095","","10.1039/b101134k","","","0.71073","MoKα","","0.096","0.047","","0.1109","0.0902","","","","1.028","1.065","1.065","","","","","has coordinates","189056","2020-10-21","18:00:00","" "7204093","10.3039","0.0002","20.0908","0.0003","35.2508","0.0004","90","","92.701","0.001","90","","7289.3","0.2","298","2","298","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C26 H20.5 Cr0.5 N O7 S16 -","- C26 H20.5 Cr0.5 N O7 S16 -","- C208 H164 Cr4 N8 O56 S128 -","8","1","","Rashid, Samina; Turner, Scott S.; Day, Peter; Howard, Judith A. K.; Guionneau, Philippe; McInnes, Eric J. L.; Mabbs, Frank E.; Clark, Robin J. H.; Firth, Steven; Biggs, Tim","New superconducting charge-transfer salts (BEDT-TTF)4[A·M(C2O4)3]·C6H5NO2 (A = H3O or NH4, M = Cr or Fe, BEDT-TTF = bis(ethylenedithio)tetrathiafulvalene)","Journal of Materials Chemistry","2001","11","9","2095","","10.1039/b101134k","","","0.71073","MoKα","","0.1637","0.0646","","","0.1265","0.1719","","","","","","1.061","","","","has coordinates","176453","2020-10-21","18:00:00","" "7204094","7.4927","0.001","17.788","0.004","30.694","0.003","90","","90","","90","","4090.9","1.1","293","2","293","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C19 H26 Cl N O S Si -","- C19 H26 Cl N O S Si -","- C152 H208 Cl8 N8 O8 S8 Si8 -","8","1","","Guillard, Jérôme; Lamazzi, Christelle; Meth-Cohn, Otto; Rees, Charles W.; White, Andrew J. P.; Williams, David J.","One-step synthesis of 5-acylisothiazoles from furans","Journal of the Chemical Society, Perkin Transactions 1","2001","","11","1304","","10.1039/b101157j","","","1.54178","CuKα","","0.0596","0.0466","","0.1364","0.1232","","","","1.046","1.083","1.083","","","","","has coordinates","202017","2020-10-21","18:00:00","" "7204095","8.0792","0.0013","8.1905","0.0008","15.983","0.002","77.493","0.006","86.74","0.012","71.463","0.012","978.9","0.2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C19 H27 N O S Si -","- C19 H27 N O S Si -","- C38 H54 N2 O2 S2 Si2 -","2","1","","Guillard, Jérôme; Lamazzi, Christelle; Meth-Cohn, Otto; Rees, Charles W.; White, Andrew J. P.; Williams, David J.","One-step synthesis of 5-acylisothiazoles from furans","Journal of the Chemical Society, Perkin Transactions 1","2001","","11","1304","","10.1039/b101157j","","","1.54178","CuKα","","0.0453","0.0373","","0.1107","0.1006","","","","1.059","1.08","1.08","","","","","has coordinates","202017","2020-10-21","18:00:00","" "7204096","21.714","0.003","9.2748","0.0008","15.3842","0.0012","90","","101.432","0.009","90","","3036.8","0.6","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C16 H11 N O3 S2 -","- C16 H11 N O3 S2 -","- C128 H88 N8 O24 S16 -","8","1","","Guillard, Jérôme; Lamazzi, Christelle; Meth-Cohn, Otto; Rees, Charles W.; White, Andrew J. P.; Williams, David J.","One-step synthesis of 5-acylisothiazoles from furans","Journal of the Chemical Society, Perkin Transactions 1","2001","","11","1304","","10.1039/b101157j","","","0.71073","MoKα","","0.0516","0.04","","0.108","0.099","","","","1.036","1.071","1.071","","","","","has coordinates","202017","2020-10-21","18:00:00","" "7204097","8.8669","0.0009","8.9717","0.001","10.3455","0.0011","88.032","0.007","68.422","0.007","68.794","0.006","708.86","0.14","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H11 N O S2 -","- C16 H11 N O S2 -","- C32 H22 N2 O2 S4 -","2","1","","Guillard, Jérôme; Lamazzi, Christelle; Meth-Cohn, Otto; Rees, Charles W.; White, Andrew J. P.; Williams, David J.","One-step synthesis of 5-acylisothiazoles from furans","Journal of the Chemical Society, Perkin Transactions 1","2001","","11","1304","","10.1039/b101157j","","","0.71073","MoKα","","0.0549","0.0415","","0.1193","0.1077","","","","1.045","1.082","1.082","","","","","has coordinates","202017","2020-10-21","18:00:00","" "7204098","6.3133","0.0003","10.9118","0.0007","15.324","0.002","90","","96.85","0.006","90","","1048.13","0.16","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C11 H7 N O3 S -","- C11 H7 N O3 S -","- C44 H28 N4 O12 S4 -","4","1","","Guillard, Jérôme; Lamazzi, Christelle; Meth-Cohn, Otto; Rees, Charles W.; White, Andrew J. P.; Williams, David J.","One-step synthesis of 5-acylisothiazoles from furans","Journal of the Chemical Society, Perkin Transactions 1","2001","","11","1304","","10.1039/b101157j","","","1.54178","CuKα","","0.0433","0.0341","","0.1009","0.0905","","","","1.106","1.124","1.124","","","","","has coordinates","202017","2020-10-21","18:00:00","" "7204099","8.1189","0.0003","10.5252","0.0004","11.2494","0.0003","100.943","0.003","103.565","0.003","93.725","0.003","911.43","0.06","293","","293","","","","","","","","","4","P -1","-P 1","2","","","","- C20 H17 N5 O2 -","- C20 H17 N5 O2 -","- C40 H34 N10 O4 -","2","1","","Kobayashi, Tomoshige; Miki, Kiyomi; Nikaeen, Behrooz; Ohta, Akira","Neighboring group effect of pyridazine and pyrazine rings for π-facial selectivity in the reactions of fused isopropylidenenorbornene systems with electrophilic reagents","Journal of the Chemical Society, Perkin Transactions 1","2001","","12","1372","","10.1039/b101330k","","","1.54178","CuKα","","0.0475","0.0424","","0.1185","0.1129","","","","1.035","1.049","1.049","","","","","has coordinates","202017","2020-10-21","18:00:00","" "7204102","7.694","0.001","9.21","0.001","10.764","0.002","108.598","0.003","92.3","0.003","109.814","0.003","670.66","0.17","288.2","","288.2","","","","","","","","","4","P -1","-P 1","2","","","","- C18 H38 Ni3 O21 -","- C18 H20 Ni2.5 O21 -","- C18 H20 Ni2.5 O21 -","1","0.5","","Kumagai, Hitoshi; Akita-Tanaka, Motoko; Inoue, Katsuya; Kurmoo, Mohamedally","Hydrothermal synthesis and characterization of a new 3D-network containing the versatile cis,cis-cyclohexane-1,3,5-tricarboxylate","Journal of Materials Chemistry","2001","11","9","2146","","10.1039/b101531l","","","0.7107","MoKα","","0.0527","0.0483","","0.0611","0.0605","","","","4.113","4.378","4.378","","","","","has coordinates","176453","2020-10-21","18:00:00","" "7204103","7.799","0.002","9.212","0.002","10.784","0.002","107.595","0.003","92.877","0.003","110.248","0.003","682.4","0.3","288.2","","288.2","","","","","","","","","4","P -1","-P 1","2","","","","- C18 H36 Co3 O21 -","- C18 H20 Co2.5 O21 -","- C18 H20 Co2.5 O21 -","1","0.5","","Kumagai, Hitoshi; Akita-Tanaka, Motoko; Inoue, Katsuya; Kurmoo, Mohamedally","Hydrothermal synthesis and characterization of a new 3D-network containing the versatile cis,cis-cyclohexane-1,3,5-tricarboxylate","Journal of Materials Chemistry","2001","11","9","2146","","10.1039/b101531l","","","0.7107","MoKα","","0.0416","0.0392","","0.0512","0.0505","","","","0.143","0.148","0.148","","","","","has coordinates","176453","2020-10-21","18:00:00","" "7204104","13.849","0.006","14.215","0.008","8.6","0.007","106.78","0.05","94.77","0.05","78.22","0.04","1586.3","1.8","293.2","","293.2","","","","","","","","","5","P -1","-P 1","2","","","","- C17 H14.5 Cl4.5 Ga S12 -","- C17 H12 Cl4.5 Ga S12 -","- C34 H24 Cl9 Ga2 S24 -","2","1","","Katsuhara, Mao; Aragaki, Masanobu; Kimura, Shinya; Mori, Takehiko; Misaki, Yohji; Tanaka, Kazuyoshi","Tetrathiapentalene-based organic conductors with 1 ∶ 1 composition","Journal of Materials Chemistry","2001","11","9","2125","","10.1039/b101542g","","","0.7107","MoKα","","0.0651","0.065","","0.071","","0.071","","","3.407","","","3.41","","","","has coordinates","176453","2020-10-21","18:00:00","" "7204105","14.318","0.004","14.507","0.004","8.54","0.007","105.11","0.04","93.16","0.04","75.44","0.02","1657.4","1.5","293.2","","293.2","","","","","","","","","6","P -1","-P 1","2","","","","- C17 H14.5 Br4 Cl0.5 Ga S12 -","- C8.5 H6 Br2 Cl0.25 Ga0.5 S6 -","- C34 H24 Br8 Cl Ga2 S24 -","4","2","","Katsuhara, Mao; Aragaki, Masanobu; Kimura, Shinya; Mori, Takehiko; Misaki, Yohji; Tanaka, Kazuyoshi","Tetrathiapentalene-based organic conductors with 1 ∶ 1 composition","Journal of Materials Chemistry","2001","11","9","2125","","10.1039/b101542g","","","0.7107","MoKα","","0.1148","0.115","","0.152","","0.152","","","5.993","","","5.99","","","","has coordinates","176453","2020-10-21","18:00:00","" "7204106","14.136","0.002","14.361","0.003","8.571","0.001","105.88","0.01","93.89","0.01","76.65","0.01","1628.3","0.5","293.2","","293.2","","","","","","","","","6","P -1","-P 1","2","","","","- C17 H14.5 Br2 Cl2.5 Ga S12 -","- C17 H12 Br2.921 Cl0.5 Ga S12 -","- C34 H24 Br5.842 Cl Ga2 S24 -","2","1","","Katsuhara, Mao; Aragaki, Masanobu; Kimura, Shinya; Mori, Takehiko; Misaki, Yohji; Tanaka, Kazuyoshi","Tetrathiapentalene-based organic conductors with 1 ∶ 1 composition","Journal of Materials Chemistry","2001","11","9","2125","","10.1039/b101542g","","","0.7107","MoKα","","0.0737","0.074","","0.093","","0.093","","","5.095","","","5.1","","","","has coordinates","176453","2020-10-21","18:00:00","" "7204107","24.021","0.007","5.85","0.002","22.435","0.007","90","","118.77","0.02","90","","2763.5","1.6","293.2","","293.2","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C14 H12 Cl4 Fe0.9 Ga0.1 S12 -","- C14 H12 Cl4 Fe0.502 S12 -","- C56 H48 Cl16 Fe2.008 S48 -","4","0.5","","Katsuhara, Mao; Aragaki, Masanobu; Kimura, Shinya; Mori, Takehiko; Misaki, Yohji; Tanaka, Kazuyoshi","Tetrathiapentalene-based organic conductors with 1 ∶ 1 composition","Journal of Materials Chemistry","2001","11","9","2125","","10.1039/b101542g","","","0.7107","MoKα","","0.0489","0.049","","0.052","","0.052","","","1.047","","","1.05","","","","has coordinates","176453","2020-10-21","18:00:00","" "7204108","8.6768","0.0007","10.517","0.0003","14.2544","0.0009","69.509","0.007","76.406","0.003","83.126","0.003","1183.33","0.14","113.2","","","","","","","","","","","5","P -1","-P 1","2","","","","- C11 H8 Br4 Fe S9 -","- C11 H8 Br4 Fe S9 -","- C22 H16 Br8 Fe2 S18 -","2","1","","Kominami, Tsuyoshi; Matsumoto, Takuya; Ueda, Kazumasa; Sugimoto, Toyonari; Murata, Keizo; Shiro, Motoo; Fujita, Hideo","Crystal structures and electrical conducting/magnetic properties in 1 ∶ 1 FeCl4 and FeBr4 salts of dimethylthio- and ethylenedithio-(1,3-dithiolylidene)thioxotetrathiafulvalene radical cations","Journal of Materials Chemistry","2001","11","9","2089","","10.1039/b101547h","","","0.7107","MoKα","","","0.0807","","","","0.2141","","","","","","1.906","","","","has coordinates","176453","2020-10-21","18:00:00","" "7204109","15.222","0.003","7.4915","0.0009","18.537","0.003","90","","91.874","0.006","90","","2112.7","0.6","298.2","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C11 H6 Cl4 Fe S9 -","- C11 H6 Cl4 Fe S9 -","- C44 H24 Cl16 Fe4 S36 -","4","1","","Kominami, Tsuyoshi; Matsumoto, Takuya; Ueda, Kazumasa; Sugimoto, Toyonari; Murata, Keizo; Shiro, Motoo; Fujita, Hideo","Crystal structures and electrical conducting/magnetic properties in 1 ∶ 1 FeCl4 and FeBr4 salts of dimethylthio- and ethylenedithio-(1,3-dithiolylidene)thioxotetrathiafulvalene radical cations","Journal of Materials Chemistry","2001","11","9","2089","","10.1039/b101547h","","","0.7107","MoKα","","","0.0559","","","","0.1035","","","","","","1.024","","","","has coordinates","176453","2020-10-21","18:00:00","" "7204110","15.464","0.001","7.4292","0.0004","19.085","0.001","90","","92.438","0.005","90","","2190.6","0.2","298.3","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C11 H6 Br4 Fe S9 -","- C11 H6 Br4 Fe S9 -","- C44 H24 Br16 Fe4 S36 -","4","1","","Kominami, Tsuyoshi; Matsumoto, Takuya; Ueda, Kazumasa; Sugimoto, Toyonari; Murata, Keizo; Shiro, Motoo; Fujita, Hideo","Crystal structures and electrical conducting/magnetic properties in 1 ∶ 1 FeCl4 and FeBr4 salts of dimethylthio- and ethylenedithio-(1,3-dithiolylidene)thioxotetrathiafulvalene radical cations","Journal of Materials Chemistry","2001","11","9","2089","","10.1039/b101547h","","","0.7107","MoKα","","","0.0662","","","","0.1272","","","","","","1.028","","","","has coordinates","176453","2020-10-21","18:00:00","" "7204111","7.606","0.003","6.773","0.003","34.531","0.002","90","","93.12","0.01","90","","1776.2","1.1","296.2","","","","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C28 H17 N2 O4 S16 -","- C28 H17 N2 O4 S16 -","- C56 H34 N4 O8 S32 -","2","0.5","","Zaman, Md. B.; Toyoda, J.; Morita, Y.; Nakamura, S.; Yamochi, H.; Saito, G.; Nishimura, K.; Yoneyama, N.; Enoki, T.; Nakasuji, K.","Preparation of a Mott insulator based on a BEDT-TTF charge transfer complex of hydrogen cyananilate: α'-(BEDT-TTF)2HCNAL","Journal of Materials Chemistry","2001","11","9","2211","","10.1039/b101635k","","","0.7107","MoKα","","","0.0378","","","","0.037","","","","","","1.001","","","","has coordinates","176453","2020-10-21","18:00:00","" "7204112","25.365","0.011","11.86","0.005","12.158","0.006","90","","116.14","0.04","90","","3283","3","296.2","","296.2","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C15 H23 N O4 -","- C15 H23 N O4 -","- C120 H184 N8 O32 -","8","1","","Donohoe, Timothy J.; McRiner, Andrew J.; Helliwell, Madeleine; Sheldrake, Peter","Use of dissolving metals in the partial reduction of pyridines: formation of 2-alkyl-1,2-dihydropyridines","Journal of the Chemical Society, Perkin Transactions 1","2001","","12","1435","","10.1039/b101662h","","","1.5418","CuKα","","0.1106","0.0747","","","0.2223","0.2549","","","","","","1.009","","","","has coordinates,has disorder","180372","2020-10-21","18:00:00","" "7204113","9.886","0.005","12.422","0.005","7.391","0.002","93.16","0.03","95.88","0.03","111.93","0.03","833.2","0.6","296.2","","296.2","","","","","","","","","4","P -1","-P 1","2","","","","- C16 H23 N O4 -","- C16 H23 N O4 -","- C32 H46 N2 O8 -","2","1","","Donohoe, Timothy J.; McRiner, Andrew J.; Helliwell, Madeleine; Sheldrake, Peter","Use of dissolving metals in the partial reduction of pyridines: formation of 2-alkyl-1,2-dihydropyridines","Journal of the Chemical Society, Perkin Transactions 1","2001","","12","1435","","10.1039/b101662h","","","0.7107","MoKα","","0.2236","0.0878","","","0.1722","0.2176","","","","","","1.067","","","","has coordinates","180372","2020-10-21","18:00:00","" "7204114","7.31","","10.038","","12.314","","111.2","","93.03","","95.48","","834.847","","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C16 H25 N O4 -","- C16 H25 N O4 -","- C32 H50 N2 O8 -","2","1","","Donohoe, Timothy J.; McRiner, Andrew J.; Helliwell, Madeleine; Sheldrake, Peter","Use of dissolving metals in the partial reduction of pyridines: formation of 2-alkyl-1,2-dihydropyridines","Journal of the Chemical Society, Perkin Transactions 1","2001","","12","1435","","10.1039/b101662h","","","0.71069","MoKα","","0.0456","0.0377","","","0.1022","0.1091","","","","","","1.035","","","","has coordinates","202017","2020-10-21","18:00:00","" "7204115","11.2031","0.0006","11.2031","0.0006","3.6001","0.0003","90","","90","","90","","451.85","0.05","300","","300","","","","","","","","","6","P 42/m n m","-P 4n 2n","136","","","","- C6.26 H4 Cl0.43 N0.26 S4 Se0.26 -","- C6.26 H4 Cl0.43 S4 -","- C12.52 H8 Cl0.86 S8 -","2","0.125","","Mizuno, Masagi; Kokubo, Hisashi; Honda, Kazumasa","Preparation, structure and conduction properties of SeCN-containing mixed anion TTF conductors","Journal of Materials Chemistry","2001","11","9","2192","","10.1039/b101864g","","","0.7107","MoKα","","0.1261","0.0815","","0.1086","","0.1063","","","","","","4.043","","","","has coordinates","176432","2020-10-21","18:00:00","" "7204116","4.19","0.001","11.746","0.002","14.294","0.003","95.18","0.01","91.92","0.01","96.69","0.01","695.2","0.3","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","4,4',5,5'-tetraiodotetrathiafulvalene","","- C6 I4 S4 -","- C6 I4 S4 -","- C12 I8 S8 -","2","1","","Batsanov, Andrei S.; Bryce, Martin R.; Chesney, Antony; Howard, Judith A. K.; John, Derek E.; Moore, Adrian J.; Wood, Clare L.; Gershtenman, Hagit; Becker, James Y.; Khodorkovsky, Vladimir Y.; Ellern, Arkady; Bernstein, Joel; Perepichka, Igor F.; Rotello, Vincent; Gray, Mark; Cuello, Alejandro O.","Synthesis and crystal engineering of new halogenated tetrathiafulvalene (TTF) derivatives and their charge transfer complexes and radical ion salts","Journal of Materials Chemistry","2001","11","9","2181","","10.1039/b101866n","","","0.71073","MoKα","","0.0606","0.054","","0.1533","0.1409","","","","1.14","1.165","1.165","","","","","has coordinates","180372","2020-10-21","18:00:00","" "7204117","6.225","0.001","15.209","0.002","6.766","0.001","90","","96.65","0.01","90","","636.27","0.16","295","2","295","2","","","","","","","","4","P 1 21 1","P 2yb","4","","4-iodo-4',5,5'-trimethyltetrathiafulvalene","","- C9 H9 I S4 -","- C8.742 H8.325 I0.999 S4 -","- C17.484 H16.65 I1.998 S8 -","2","1","","Batsanov, Andrei S.; Bryce, Martin R.; Chesney, Antony; Howard, Judith A. K.; John, Derek E.; Moore, Adrian J.; Wood, Clare L.; Gershtenman, Hagit; Becker, James Y.; Khodorkovsky, Vladimir Y.; Ellern, Arkady; Bernstein, Joel; Perepichka, Igor F.; Rotello, Vincent; Gray, Mark; Cuello, Alejandro O.","Synthesis and crystal engineering of new halogenated tetrathiafulvalene (TTF) derivatives and their charge transfer complexes and radical ion salts","Journal of Materials Chemistry","2001","11","9","2181","","10.1039/b101866n","","","0.71073","MoKα","","0.1238","0.0782","","0.2208","0.1643","","","","1.272","1.243","1.243","","","","","has coordinates,has disorder","180372","2020-10-21","18:00:00","" "7204118","6.033","0.002","6.83","0.001","7.862","0.004","107.7","0.02","103.17","0.01","95.81","0.01","295.38","0.19","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","4-bromo-4',5,5'-trimethyltetrathiafulvalene","","- C9 H9 Br S4 -","- C9 H9 Br S4 -","- C9 H9 Br S4 -","1","0.5","","Batsanov, Andrei S.; Bryce, Martin R.; Chesney, Antony; Howard, Judith A. K.; John, Derek E.; Moore, Adrian J.; Wood, Clare L.; Gershtenman, Hagit; Becker, James Y.; Khodorkovsky, Vladimir Y.; Ellern, Arkady; Bernstein, Joel; Perepichka, Igor F.; Rotello, Vincent; Gray, Mark; Cuello, Alejandro O.","Synthesis and crystal engineering of new halogenated tetrathiafulvalene (TTF) derivatives and their charge transfer complexes and radical ion salts","Journal of Materials Chemistry","2001","11","9","2181","","10.1039/b101866n","","","0.71073","MoKα","","0.0783","0.0556","","0.1555","0.1197","","","","1.173","1.173","1.173","","","","","has coordinates,has disorder","180372","2020-10-21","18:00:00","" "7204119","6.0472","0.0003","6.7723","0.0004","7.7964","0.0004","107.635","0.002","103.913","0.002","96.561","0.002","289.25","0.03","120","2","120","2","","","","","","","","3","P -1","-P 1","2","","4,4',5,5'-tetramethyltetrathiafulvalene","","- C10 H12 S4 -","- C10 H12 S4 -","- C10 H12 S4 -","1","0.5","","Batsanov, Andrei S.; Bryce, Martin R.; Chesney, Antony; Howard, Judith A. K.; John, Derek E.; Moore, Adrian J.; Wood, Clare L.; Gershtenman, Hagit; Becker, James Y.; Khodorkovsky, Vladimir Y.; Ellern, Arkady; Bernstein, Joel; Perepichka, Igor F.; Rotello, Vincent; Gray, Mark; Cuello, Alejandro O.","Synthesis and crystal engineering of new halogenated tetrathiafulvalene (TTF) derivatives and their charge transfer complexes and radical ion salts","Journal of Materials Chemistry","2001","11","9","2181","","10.1039/b101866n","","","0.71073","MoKα","","0.0287","0.0247","","","0.0633","0.0656","","","","","","1.066","","","","has coordinates","180372","2020-10-21","18:00:00","" "7204120","14.609","0.001","11.607","0.001","21.02","0.001","90","","90","","90","","3564.3","0.4","150","2","150","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","4,5-dibromo-4',5'-bis(2'-cyanoethylsulfanyl)- tetrathiafulvalene","","- C12 H8 Br2 N2 S6 -","- C12 H8 Br2 N2 S6 -","- C96 H64 Br16 N16 S48 -","8","1","","Batsanov, Andrei S.; Bryce, Martin R.; Chesney, Antony; Howard, Judith A. K.; John, Derek E.; Moore, Adrian J.; Wood, Clare L.; Gershtenman, Hagit; Becker, James Y.; Khodorkovsky, Vladimir Y.; Ellern, Arkady; Bernstein, Joel; Perepichka, Igor F.; Rotello, Vincent; Gray, Mark; Cuello, Alejandro O.","Synthesis and crystal engineering of new halogenated tetrathiafulvalene (TTF) derivatives and their charge transfer complexes and radical ion salts","Journal of Materials Chemistry","2001","11","9","2181","","10.1039/b101866n","","","0.71073","MoKα","","0.0411","0.0291","","0.0655","0.0571","","","","1.209","1.185","1.185","","","","","has coordinates","202017","2020-10-21","18:00:00","" "7204121","7.635","0.001","7.959","0.002","20.021","0.003","81.2","0.01","88.64","0.01","87.21","0.01","1200.7","0.4","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","4-iodo-5-methyl-4',5'-bis(methylsulfanyl)tetrathiafulvalene 7,7,8,8-tetracyanoquinodimethane","","- C21 H13 I N4 S6 -","- C21 H13 I N4 S6 -","- C42 H26 I2 N8 S12 -","2","1","","Batsanov, Andrei S.; Bryce, Martin R.; Chesney, Antony; Howard, Judith A. K.; John, Derek E.; Moore, Adrian J.; Wood, Clare L.; Gershtenman, Hagit; Becker, James Y.; Khodorkovsky, Vladimir Y.; Ellern, Arkady; Bernstein, Joel; Perepichka, Igor F.; Rotello, Vincent; Gray, Mark; Cuello, Alejandro O.","Synthesis and crystal engineering of new halogenated tetrathiafulvalene (TTF) derivatives and their charge transfer complexes and radical ion salts","Journal of Materials Chemistry","2001","11","9","2181","","10.1039/b101866n","","","0.71073","MoKα","","0.0528","0.0407","","0.0923","0.0801","","","","1.242","1.228","1.228","","","","","has coordinates,has disorder","180372","2020-10-21","18:00:00","" "7204122","7.969","0.001","9.066","0.001","17.482","0.001","81.02","0.01","83.25","0.01","77.12","0.01","1211.7","0.2","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","4-iodo-4',5'-bis(methylsulfanyl)tetrathiafulvalene 7,7,8,8-tetracyanoquinodimethane","","- C20 H11 I N4 S6 -","- C20 H10.97 I N4 S6 -","- C40 H21.94 I2 N8 S12 -","2","1","","Batsanov, Andrei S.; Bryce, Martin R.; Chesney, Antony; Howard, Judith A. K.; John, Derek E.; Moore, Adrian J.; Wood, Clare L.; Gershtenman, Hagit; Becker, James Y.; Khodorkovsky, Vladimir Y.; Ellern, Arkady; Bernstein, Joel; Perepichka, Igor F.; Rotello, Vincent; Gray, Mark; Cuello, Alejandro O.","Synthesis and crystal engineering of new halogenated tetrathiafulvalene (TTF) derivatives and their charge transfer complexes and radical ion salts","Journal of Materials Chemistry","2001","11","9","2181","","10.1039/b101866n","","","0.71073","MoKα","","0.0777","0.0412","","0.0939","0.0761","","","","1.077","1.093","1.093","","","","","has coordinates,has disorder","180372","2020-10-21","18:00:00","" "7204123","14.034","0.001","8.077","0.001","17.96","0.001","90","","107.2","0.01","90","","1944.8","0.3","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","4-iodo-4',5,5'-trimethyltetrathiafulvalenium triiodide hemi(diiodine)","","- C9 H9 I5 S4 -","- C9 H9 I5 S4 -","- C36 H36 I20 S16 -","4","1","","Batsanov, Andrei S.; Bryce, Martin R.; Chesney, Antony; Howard, Judith A. K.; John, Derek E.; Moore, Adrian J.; Wood, Clare L.; Gershtenman, Hagit; Becker, James Y.; Khodorkovsky, Vladimir Y.; Ellern, Arkady; Bernstein, Joel; Perepichka, Igor F.; Rotello, Vincent; Gray, Mark; Cuello, Alejandro O.","Synthesis and crystal engineering of new halogenated tetrathiafulvalene (TTF) derivatives and their charge transfer complexes and radical ion salts","Journal of Materials Chemistry","2001","11","9","2181","","10.1039/b101866n","","","0.71073","MoKα","","0.1174","0.0766","","0.2244","0.1772","","","","1.177","1.248","1.248","","","","","has coordinates,has disorder","180372","2020-10-21","18:00:00","" "7204124","7.098","0.001","16.255","0.001","16.541","0.001","90","","90","","90","","1908.5","0.3","150","2","150","2","","","","","","","","5","C m c m","-C 2c 2","63","","4,5-dibromo-4',5'-bis(methylsulfanyl)tetrathiafulvalenium triiodide","","- C8 H6 Br2 I3 S6 -","- C8 H6 Br2 I3 S6 -","- C32 H24 Br8 I12 S24 -","4","0.25","","Batsanov, Andrei S.; Bryce, Martin R.; Chesney, Antony; Howard, Judith A. K.; John, Derek E.; Moore, Adrian J.; Wood, Clare L.; Gershtenman, Hagit; Becker, James Y.; Khodorkovsky, Vladimir Y.; Ellern, Arkady; Bernstein, Joel; Perepichka, Igor F.; Rotello, Vincent; Gray, Mark; Cuello, Alejandro O.","Synthesis and crystal engineering of new halogenated tetrathiafulvalene (TTF) derivatives and their charge transfer complexes and radical ion salts","Journal of Materials Chemistry","2001","11","9","2181","","10.1039/b101866n","","","0.71073","MoKα","","0.0305","0.0245","","0.0614","0.0561","","","","1.188","1.178","1.178","","","","","has coordinates","180372","2020-10-21","18:00:00","" "7204125","10.178","0.001","24.49","0.001","14.101","0.001","90","","100.99","0.01","90","","3450.3","0.5","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","4-iodotetrathiafulvalene 2,4,5,7-tetranitro-9- dicyanomethylenefluorene bis-dioxane","","- C30 H23 I N6 O12 S4 -","- C30 H23 I N6 O12 S4 -","- C120 H92 I4 N24 O48 S16 -","4","1","","Batsanov, Andrei S.; Bryce, Martin R.; Chesney, Antony; Howard, Judith A. K.; John, Derek E.; Moore, Adrian J.; Wood, Clare L.; Gershtenman, Hagit; Becker, James Y.; Khodorkovsky, Vladimir Y.; Ellern, Arkady; Bernstein, Joel; Perepichka, Igor F.; Rotello, Vincent; Gray, Mark; Cuello, Alejandro O.","Synthesis and crystal engineering of new halogenated tetrathiafulvalene (TTF) derivatives and their charge transfer complexes and radical ion salts","Journal of Materials Chemistry","2001","11","9","2181","","10.1039/b101866n","","","0.71073","MoKα","","0.0507","0.0344","","0.0764","0.063","","","","1.19","1.159","1.159","","","","","has coordinates","180372","2020-10-21","18:00:00","" "7204126","11.209","0.004","7.16","0.003","29.917","0.003","90","","94.03","0.02","90","","2395.1","1.3","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","2,4,7-trinitro-9-dicyanomethylenefluorene 4-iodotetrathiafulvalene","","- C22 H8 I N5 O6 S4 -","- C22 H7 I N5 O6 S4 -","- C88 H28 I4 N20 O24 S16 -","4","1","","Batsanov, Andrei S.; Bryce, Martin R.; Chesney, Antony; Howard, Judith A. K.; John, Derek E.; Moore, Adrian J.; Wood, Clare L.; Gershtenman, Hagit; Becker, James Y.; Khodorkovsky, Vladimir Y.; Ellern, Arkady; Bernstein, Joel; Perepichka, Igor F.; Rotello, Vincent; Gray, Mark; Cuello, Alejandro O.","Synthesis and crystal engineering of new halogenated tetrathiafulvalene (TTF) derivatives and their charge transfer complexes and radical ion salts","Journal of Materials Chemistry","2001","11","9","2181","","10.1039/b101866n","","","1.54178","CuKα","","0.1581","0.1299","","","0.3127","0.3381","","","","","","1.285","","","","has coordinates,has disorder","180372","2020-10-21","18:00:00","" "7204127","19.872","0.001","19.7547","0.0008","12.6242","0.0006","90","","95.442","0.001","90","","4933.5","0.4","297","","","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C28 H32 Ca Ni2 O8 S20 -","- C28 H32 Ca Ni2 O8 S20 -","- C112 H128 Ca4 Ni8 O32 S80 -","4","1","","Akutagawa, Tomoyuki; Takamatsu, Nobuhiro; Shitagami, Kozo; Hasegawa, Tatsuo; Nakamura, Takayoshi; Inabe, Tamotsu; Fujita, Wataru; Awaga, Kunio","Diversity in the ½ spin arrangement of [Ni(dmit)2]‒ anions in divalent Ca2+(crown ether) supramolecular cation salts","Journal of Materials Chemistry","2001","11","9","2118","","10.1039/b101873f","","","0.7107","MoKα","","","0.041","","","0.05","","","","","1.776","1.776","","","","","has coordinates","176453","2020-10-21","18:00:00","" "7204128","19.8366","0.0002","19.5053","0.0003","12.5358","0.0004","90","","94.761","0.0002","90","","4833.6","0.18","150.1","","","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C28 H32 Ca Ni2 O8 S20 -","- C28 H32 Ca Ni2 O8 S20 -","- C112 H128 Ca4 Ni8 O32 S80 -","4","1","","Akutagawa, Tomoyuki; Takamatsu, Nobuhiro; Shitagami, Kozo; Hasegawa, Tatsuo; Nakamura, Takayoshi; Inabe, Tamotsu; Fujita, Wataru; Awaga, Kunio","Diversity in the ½ spin arrangement of [Ni(dmit)2]‒ anions in divalent Ca2+(crown ether) supramolecular cation salts","Journal of Materials Chemistry","2001","11","9","2118","","10.1039/b101873f","","","0.7107","MoKα","","","0.023","","","","0.037","","","","","","1.79","","","","has coordinates","176453","2020-10-21","18:00:00","" "7204129","12.4442","0.0004","12.5299","0.0004","26.872","0.001","97.067","0.0007","91.7234","0.0008","97.214","0.001","4120.8","0.2","293.2","","","","","","","","","","","7","P -1","-P 1","2","","","","- C33.33333 H42 Ca N0.66667 Ni2 O10 S20 -","- C33.3333 H42 Ca N0.666667 Ni2 O10 S20 -","- C100 H126 Ca3 N2 Ni6 O30 S60 -","3","1.5","","Akutagawa, Tomoyuki; Takamatsu, Nobuhiro; Shitagami, Kozo; Hasegawa, Tatsuo; Nakamura, Takayoshi; Inabe, Tamotsu; Fujita, Wataru; Awaga, Kunio","Diversity in the ½ spin arrangement of [Ni(dmit)2]‒ anions in divalent Ca2+(crown ether) supramolecular cation salts","Journal of Materials Chemistry","2001","11","9","2118","","10.1039/b101873f","","","0.7107","MoKα","","","0.0493","","","0.126","","","","","1.596","1.596","","","","","has coordinates","213973","2020-10-21","18:00:00","" "7204130","15.598","0.003","15.5975","","10.222","0.004","90","","90","","90","","2486.9","1.1","296.1","","","","","","","","","","","7","P 42/m n m","-P 4n 2n","136","","","","- C28 H31 Ca N3 Ni2 O5 S20 -","- C28 Ca N4 Ni2 O4 S20 -","- C56 Ca2 N8 Ni4 O8 S40 -","2","0.125","","Akutagawa, Tomoyuki; Takamatsu, Nobuhiro; Shitagami, Kozo; Hasegawa, Tatsuo; Nakamura, Takayoshi; Inabe, Tamotsu; Fujita, Wataru; Awaga, Kunio","Diversity in the ½ spin arrangement of [Ni(dmit)2]‒ anions in divalent Ca2+(crown ether) supramolecular cation salts","Journal of Materials Chemistry","2001","11","9","2118","","10.1039/b101873f","","","0.7107","MoKα","","","0.05","","","0.081","","","","","3.47","3.47","","","","","has coordinates","176453","2020-10-21","18:00:00","" "7204131","10.16","0.007","13.851","0.003","13.678","0.001","90","0","96.57","0.02","90","0","1912.2","1.4","295","2","","","","","","","","","Local laboratory","5","P 1 21/a 1","-P 2yab","14","","","","?","- C32 H32 N4 Ni0.5 S14 -","- C64 H64 N8 Ni S28 -","2","0.5","","Yamochi, Hideki; Sogoshi, Norihito; Simizu, Yasuhiro; Saito, Gunzi; Matsumoto, Kiyoshi","The crystal and electronic structure analysis of (OMTTF)2[Ni(tdas)2]","Journal of Materials Chemistry","2001","11","9","2216","","10.1039/b101909k","","","0.71073","MoK-alpha","","","0.055","","","","","","","","2.73","2.73","","","","","has coordinates","180372","2020-10-21","18:00:00","" "7204132","10.77","0.005","11.26","0.004","15.146","0.007","90","","105.77","0.04","90","","1767.6","1.4","293.2","","","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C40 H48 O8 -","- C40 H48 O8 -","- C80 H96 O16 -","2","0.5","","Komatsu, Naoki; Chishiro, Takefumi","Serial synthesis of oxa[3.n]cyclophanes and homooxacalix[n]arenes via reductive coupling of arenedialdehydes, and their X-ray structures","Journal of the Chemical Society, Perkin Transactions 1","2001","","13","1532","1537","10.1039/b102031p","","","0.7107","MoKα","","","0","","","","0.0597","","","","","","1.22","","","","has coordinates","275178","2022-05-07","01:06:25","" "7204133","13.21","0.003","14.508","0.003","13.117","0.002","100.26","0.02","107.11","0.02","116.99","0.01","1992.5","0.9","295.7","","","","","","","","","","","4","P -1","-P 1","2","","","","- C40 H48 O8 S4 -","- C40 H48 O8 S4 -","- C80 H96 O16 S8 -","2","1","","Komatsu, Naoki; Chishiro, Takefumi","Serial synthesis of oxa[3.n]cyclophanes and homooxacalix[n]arenes via reductive coupling of arenedialdehydes, and their X-ray structures","Journal of the Chemical Society, Perkin Transactions 1","2001","","13","1532","1537","10.1039/b102031p","","","0.7107","MoKα","","","0.0595","","","","0.0876","","","","","","1.342","","","","has coordinates","275178","2022-05-07","01:06:25","" "7204134","23.388","0.002","17.227","0.002","7.655","0.001","89","","89","","90","","3083.3","0.6","298.2","","298.2","","","","","","","","","3","C m c 21","C 2c -2","36","","","","- C36 H40 O6 -","- C34 H38 O6 -","- C136 H152 O24 -","4","0.5","","Komatsu, Naoki; Chishiro, Takefumi","Serial synthesis of oxa[3.n]cyclophanes and homooxacalix[n]arenes via reductive coupling of arenedialdehydes, and their X-ray structures","Journal of the Chemical Society, Perkin Transactions 1","2001","","13","1532","1537","10.1039/b102031p","","","1.5418","CuKα","","","0.0573","","","0.0846","","","","","1.398","1.398","","","","","has coordinates","277937","2022-09-17","11:56:49","" "7204135","14.3011","0.0009","7.608","0.001","15.421","0.001","90","","113.246","0.005","90","","1541.6","0.3","298.2","","298.2","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C36 H40 O6 -","- C36 H40 O6 -","- C72 H80 O12 -","2","0.5","","Komatsu, Naoki; Chishiro, Takefumi","Serial synthesis of oxa[3.n]cyclophanes and homooxacalix[n]arenes via reductive coupling of arenedialdehydes, and their X-ray structures","Journal of the Chemical Society, Perkin Transactions 1","2001","","13","1532","1537","10.1039/b102031p","","","1.5418","CuKα","","","0.061","","","0.11","","","","","1.758","1.758","","","","","has coordinates","275178","2022-05-07","01:06:25","" "7204136","7.804","0.004","36.171","0.018","6.284","0.002","91.68","0.04","112.08","0.04","88.79","0.05","1642.9","1.4","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C17 H13 Pd2 S21 -","- C17 H13 Pd2 S21 -","- C34 H26 Pd4 S42 -","2","1","","Faulmann, C.; Doublet, M.-L.; Granier, F.; Garreau de Bonneval, B.; Malfant, I.; Legros, J.-P.; Togonidze, T.; Cassoux, P.","Synthesis, electrical behaviour, and crystal and electronic band structures of two different phases of the (SMeEt2)[Pd(dmit)2]2 salt. Consequences of cationic disorder on the electrical properties","Journal of Materials Chemistry","2001","11","9","2205","","10.1039/b102133h","","","0.71073","MoKα","","0.1022","0.0651","","","0.1708","0.1987","","","","","","1.15","","","","has coordinates,has disorder","213973","2020-10-21","18:00:00","" "7204137","7.7888","0.0009","36.181","0.003","6.2573","0.0006","92.112","0.011","112.169","0.012","88.74","0.012","1631.8","0.3","160","2","160","2","","","","","","","","4","P -1","-P 1","2","","","","- C17 H13 Pd2 S21 -","- C17 H13 Pd2 S21 -","- C34 H26 Pd4 S42 -","2","1","","Faulmann, C.; Doublet, M.-L.; Granier, F.; Garreau de Bonneval, B.; Malfant, I.; Legros, J.-P.; Togonidze, T.; Cassoux, P.","Synthesis, electrical behaviour, and crystal and electronic band structures of two different phases of the (SMeEt2)[Pd(dmit)2]2 salt. Consequences of cationic disorder on the electrical properties","Journal of Materials Chemistry","2001","11","9","2205","","10.1039/b102133h","","","0.71073","MoKα","","0.0962","0.0861","","","0.2233","0.2292","","","","","","1.175","","","","has coordinates","213973","2020-10-21","18:00:00","" "7204138","7.7877","0.0012","18.323","0.003","6.2846","0.001","96.8","0.02","112.257","0.018","84.17","0.02","822.5","0.3","160","2","160","2","","","","","","","","4","P -1","-P 1","2","","","","- C17 H13 Pd2 S21 -","- C17 H13 Pd2 S21 -","- C17 H13 Pd2 S21 -","1","0.5","","Faulmann, C.; Doublet, M.-L.; Granier, F.; Garreau de Bonneval, B.; Malfant, I.; Legros, J.-P.; Togonidze, T.; Cassoux, P.","Synthesis, electrical behaviour, and crystal and electronic band structures of two different phases of the (SMeEt2)[Pd(dmit)2]2 salt. Consequences of cationic disorder on the electrical properties","Journal of Materials Chemistry","2001","11","9","2205","","10.1039/b102133h","","","0.71073","MoKα","","0.0368","0.0346","","","0.0925","0.0939","","","","","","1.11","","","","has coordinates,has disorder","213973","2020-10-21","18:00:00","" "7204139","7.844","0.005","18.397","0.005","6.32","0.005","97.654","0.005","112.076","0.005","83.572","0.005","835.7","0.9","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C17 H13 Pd2 S21 -","- C17 H13 Pd2 S21 -","- C17 H13 Pd2 S21 -","1","0.5","","Faulmann, C.; Doublet, M.-L.; Granier, F.; Garreau de Bonneval, B.; Malfant, I.; Legros, J.-P.; Togonidze, T.; Cassoux, P.","Synthesis, electrical behaviour, and crystal and electronic band structures of two different phases of the (SMeEt2)[Pd(dmit)2]2 salt. Consequences of cationic disorder on the electrical properties","Journal of Materials Chemistry","2001","11","9","2205","","10.1039/b102133h","","","0.71069","MoKα","","0.057","0.0312","","","0.0702","0.079","","","","","","1.02","","","","has coordinates,has disorder","180372","2020-10-21","18:00:00","" "7204140","8.581","0.005","8.507","0.006","8.033","0.006","108.39","0.06","112.48","0.05","101.46","0.05","478.9","0.7","293","2","293","2","","","","","","","synthesis as described","4","P -1","-P 1","2","","","","- C14 H26 In2 O4 -","- C14 H26 In2 O4 -","- C14 H26 In2 O4 -","1","0.5","","Park, Jin-Ho; Horley, Graeme A.; O'Brien, Paul; Jones, Anthony C.; Motevalli, Majid","The X-ray single crystal structure of [Me2In(acac)]2 and its use as a single-source precursor for the deposition of indium oxide thin films","Journal of Materials Chemistry","2001","11","9","2346","","10.1039/b102212l","","","0.71073","MoKα","","0.0199","0.019","","","0.0501","0.0505","","","","","","1.199","","","","has coordinates","213973","2020-10-21","18:00:00","" "7204141","9.2248","0.0015","14.095","0.002","17.05","0.002","92.524","0.01","105.622","0.009","101.51","","2080.8","0.5","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C28 H16 Au2 N8 S8 Se8 -","- C28 H16 Au2 N8 S8 Se8 -","- C56 H32 Au4 N16 S16 Se16 -","2","1","","Morgado, Jorge; Santos, Isabel C.; Veiros, Luís F.; Rodrigues, César; Henriques, Rui T.; Duarte, M. Teresa; Alcácer, Luís; Almeida, Manuel","Preparation, structural, electrical and magnetic properties of tetrathiafulvalene-Au(pds)2 salts (pds = pyrazine-2,3-diselenolate)","Journal of Materials Chemistry","2001","11","9","2108","","10.1039/b102220m","","","0.71069","MoKα","","0.1838","0.0714","","","0.1506","0.2207","","","","","","1.113","","","","has coordinates","180372","2020-10-21","18:00:00","" "7204142","22.437","0.009","10.981","0.001","10.854","0.005","90","","91.79","0.02","90","","2672.9","1.7","293","2","293","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- C8.5 H5 Au0.5 N2 S3 Se2 -","- C8.5 H5 Au0.5 N2 S3 Se2 -","- C68 H40 Au4 N16 S24 Se16 -","8","1","","Morgado, Jorge; Santos, Isabel C.; Veiros, Luís F.; Rodrigues, César; Henriques, Rui T.; Duarte, M. Teresa; Alcácer, Luís; Almeida, Manuel","Preparation, structural, electrical and magnetic properties of tetrathiafulvalene-Au(pds)2 salts (pds = pyrazine-2,3-diselenolate)","Journal of Materials Chemistry","2001","11","9","2108","","10.1039/b102220m","","","0.71069","MoKα","","0.1646","0.0554","","","0.1412","0.1538","","","","","","0.907","","","","has coordinates","176453","2020-10-21","18:00:00","" "7204143","9.775","0.002","20.404","0.002","15.424","0.002","90","","95.25","0.02","90","","3063.4","0.8","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C21 H12 Au1.5 N6 S6 Se6 -","- C21 H12 Au1.5 N6 S6 Se6 -","- C84 H48 Au6 N24 S24 Se24 -","4","1","","Morgado, Jorge; Santos, Isabel C.; Veiros, Luís F.; Rodrigues, César; Henriques, Rui T.; Duarte, M. Teresa; Alcácer, Luís; Almeida, Manuel","Preparation, structural, electrical and magnetic properties of tetrathiafulvalene-Au(pds)2 salts (pds = pyrazine-2,3-diselenolate)","Journal of Materials Chemistry","2001","11","9","2108","","10.1039/b102220m","","","0.71069","MoKα","","0.1092","0.0682","","","0.1402","0.1573","","","","","","1.129","","","","has coordinates","176453","2020-10-21","18:00:00","" "7204145","14.603","0.003","6.3722","0.0011","36.335","0.006","90","","90.02","0.01","90","","3381.1","1.1","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Quinuclidinium bis(1,3-dithiol-2-thione-4,5-dithiolato)palladium at 298K","","- C19 H14 N Pd2 S20 -","- C19 H14 N Pd2 S20 -","- C76 H56 N4 Pd8 S80 -","4","0.5","","Naito, T.; Inabe, T.; Kobayashi, H.; Kobayashi, A.","A new molecular metal based on Pd(dmit)2: synthesis, structure and electrical properties of (C7H13NH)[Pd(dmit)2]2 (dmit2‒ = 2-thioxo-1,3-dithiole-4,5-dithiolate)","Journal of Materials Chemistry","2001","11","9","2199","","10.1039/b102260c","","","0.71073","MoKα","","0.0834","0.0766","","","0.2465","0.2506","","","","","","1.253","","","","has coordinates,has disorder","213973","2020-10-21","18:00:00","" "7204146","14.5","0.02","6.333","0.009","36.13","0.05","90","","90.14","0.1","90","","3318","8","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Qinuclidinium bis(1,3-dithiol-2-thione-4,5-dithiolato)palladium at 150K","","- C19 H14 N Pd2 S20 -","- C19 H14 N Pd2 S20 -","- C76 H56 N4 Pd8 S80 -","4","0.5","","Naito, T.; Inabe, T.; Kobayashi, H.; Kobayashi, A.","A new molecular metal based on Pd(dmit)2: synthesis, structure and electrical properties of (C7H13NH)[Pd(dmit)2]2 (dmit2‒ = 2-thioxo-1,3-dithiole-4,5-dithiolate)","Journal of Materials Chemistry","2001","11","9","2199","","10.1039/b102260c","","","0.71073","MoKα","","0.1424","0.1247","","","0.3151","0.3269","","","","","","1.146","","","","has coordinates,has disorder","213973","2020-10-21","18:00:00","" "7204147","15.798","0.001","4.8939","0.0003","17.99","0.001","90","","114.816","0.004","90","","1262.44","0.14","293","2","293","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- Al1.75 Ce3 N9.25 O5.75 Si6.25 -","- Al1.76 Ce3 N9.22 O5.78 Si6.24 -","- Al7.04 Ce12 N36.88 O23.12 Si24.96 -","4","0.5","","Grins, Jekabs; Shen, Zhijian; Esmaeilzadeh, Saeid; Berastegui, Pedro","The structures of the Ce and La N-phases RE3Si8 ‒ xAlxN11 ‒ xO4 + x (x≈ 1.75 for RE = Ce, x ≈ 1.5 for RE = La), determined by single-crystal X-ray and time-of-flight neutron powder diffraction, respectively","Journal of Materials Chemistry","2001","11","9","2358","","10.1039/b102340n","","","0.71073","MoKα","","0.0446","0.0313","","","0.0639","0.0671","","","","","","1.045","","","","has coordinates","176453","2020-10-21","18:00:00","" "7204148","7.987","0.002","10.3","0.003","10.806","0.003","118.308","0.004","106.121","0.004","94.752","0.004","727.3","0.3","158","2","158","2","","","","","","","","4","P -1","-P 1","2","","","","- C17 H16 N2 O4 -","- C17 H16 N2 O4 -","- C34 H32 N4 O8 -","2","1","","Kay, A. J.; Woolhouse, A. D.; Gainsford, G. J.; Haskell, T. G.; Wyss, C. P.; Giffin, S. M.; McKinnie, I. T.; Barnes, T. H.","Simple zwitterionic merocyanines as potential NLO chromophores","Journal of Materials Chemistry","2001","11","9","2271","","10.1039/b103148c","","","0.71073","MoKα","","0.0449","0.0392","","","0.1079","0.1116","","","","","","1.084","","","","has coordinates,has disorder","180372","2020-10-21","18:00:00","" "7204149","21.812","0.001","9.8235","0.0004","19.7739","0.0008","90","","90","","90","","4237","0.3","123.2","","","","","","","","","","","3","P c a 21","P 2c -2ac","29","","","","- C26 H26 N4 -","- C26 H26 N4 -","- C208 H208 N32 -","8","2","","Suzuki, Takanori; Ono, Kazunori; Kawai, Hidetoshi; Tsuji, Takashi","Low-temperature X-ray structural analysis of propanedinitrile derivatives substituted with a bis(4-dimethylaminophenyl)methyl group: the origin of elongation of the donor‒acceptor substituted C‒C bond†","Journal of the Chemical Society, Perkin Transactions 2","2001","","9","1798","","10.1039/b103269k","","","0.7107","MoKα","","","0.0512","","","","0.0623","","","","","","1.499","","","","has coordinates","176453","2020-10-21","18:00:00","" "7204150","10.504","0.003","15.414","0.001","13.7027","0.0006","90","","102.315","0.001","90","","2167.5","0.6","123.2","","","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C27 H26 N4 -","- C27 H26 N4 -","- C108 H104 N16 -","4","1","","Suzuki, Takanori; Ono, Kazunori; Kawai, Hidetoshi; Tsuji, Takashi","Low-temperature X-ray structural analysis of propanedinitrile derivatives substituted with a bis(4-dimethylaminophenyl)methyl group: the origin of elongation of the donor‒acceptor substituted C‒C bond†","Journal of the Chemical Society, Perkin Transactions 2","2001","","9","1798","","10.1039/b103269k","","","0.7107","MoKα","","","0.0513","","","","0.0646","","","","","","1.744","","","","has coordinates","202017","2020-10-21","18:00:00","" "7204151","9.49","0.001","23.201","0.002","10.4463","0.0003","90","","99.1048","0.0006","90","","2271.1","0.3","123.2","","","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C28 H28 N4 -","- C28 H28 N4 -","- C112 H112 N16 -","4","1","","Suzuki, Takanori; Ono, Kazunori; Kawai, Hidetoshi; Tsuji, Takashi","Low-temperature X-ray structural analysis of propanedinitrile derivatives substituted with a bis(4-dimethylaminophenyl)methyl group: the origin of elongation of the donor‒acceptor substituted C‒C bond†","Journal of the Chemical Society, Perkin Transactions 2","2001","","9","1798","","10.1039/b103269k","","","0.7107","MoKα","","","0.0544","","","","0.0827","","","","","","2.543","","","","has coordinates","202017","2020-10-21","18:00:00","" "7204152","11.804","0.003","9.299","0.002","15.358","0.001","90","","98.44","0.002","90","","1667.5","0.6","123.2","","","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C20 H20 N4 -","- C20 H20 N4 -","- C80 H80 N16 -","4","0.5","","Suzuki, Takanori; Ono, Kazunori; Kawai, Hidetoshi; Tsuji, Takashi","Low-temperature X-ray structural analysis of propanedinitrile derivatives substituted with a bis(4-dimethylaminophenyl)methyl group: the origin of elongation of the donor‒acceptor substituted C‒C bond†","Journal of the Chemical Society, Perkin Transactions 2","2001","","9","1798","","10.1039/b103269k","","","0.7107","MoKα","","","0.0475","","","","0.0684","","","","","","1.947","","","","has coordinates","176453","2020-10-21","18:00:00","" "7204153","7.737","0.008","10.309","0.007","11.812","0.008","105.97","0.08","104.33","0.11","97.56","0.11","857.2","1.4","213","2","213","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H25 N Ni O5 -","- C14 H25 N Ni O5 -","- C28 H50 N2 Ni2 O10 -","2","1","","Williams, Paul A.; Jones, Anthony C.; Bickley, Jamie F.; Steiner, Alexander; Davies, Hywel O.; Leedham, Timothy J.; Impey, Susan A.; Garcia, Joanne; Allen, Stephen; Rougier, Aline; Blyr, Alexandra","Synthesis and crystal structures of dimethylaminoethanol adducts of Ni(ii) acetate and Ni(ii) acetylacetonate. Precursors for the sol‒gel deposition of electrochromic nickel oxide thin films","Journal of Materials Chemistry","2001","11","9","2329","","10.1039/b103288g","","","0.71073","MoKα","","0.0651","0.0463","","","0.1063","0.1141","","","","","","0.925","","","","has coordinates","180372","2020-10-21","18:00:00","" "7204154","8.2993","0.0014","8.5256","0.0014","13.017","0.002","95.917","0.019","95.92","0.02","109.469","0.019","854.4","0.3","213","2","213","2","","","","","","","","5","P -1","-P 1","2","","","","- C12 H28 N2 Ni O6 -","- C12 H28 N2 Ni O6 -","- C24 H56 N4 Ni2 O12 -","2","1","","Williams, Paul A.; Jones, Anthony C.; Bickley, Jamie F.; Steiner, Alexander; Davies, Hywel O.; Leedham, Timothy J.; Impey, Susan A.; Garcia, Joanne; Allen, Stephen; Rougier, Aline; Blyr, Alexandra","Synthesis and crystal structures of dimethylaminoethanol adducts of Ni(ii) acetate and Ni(ii) acetylacetonate. Precursors for the sol‒gel deposition of electrochromic nickel oxide thin films","Journal of Materials Chemistry","2001","11","9","2329","","10.1039/b103288g","","","0.71073","MoKα","","0.0473","0.0333","","","0.0727","0.0755","","","","","","0.914","","","","has coordinates","180372","2020-10-21","18:00:00","" "7204155","6.136","","30.47","","9.285","","90","","102.81","","90","","1692.75","","293","","293","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","5-amino-3-(6-hexenyl)-imino-1,2,6,7-tetracyano-pyrrolizine","","- C17 H13 N7 -","- C17 H13 N7 -","- C68 H52 N28 -","4","1","","Flamini, Alberto; Fares, Vincenzo; Capobianchi, Aldo; Valentini, Veronica","5-Amino-3-imino-1,2,6,7-tetracyano-3H-pyrrolizine: synthesis of alkylimino derivatives. X-Ray crystal and molecular structures of the hex-5-enyl, and Langmuir–Blodgett film of the octyl and octadecyl derivatives","Journal of the Chemical Society, Perkin Transactions 1","2001","","22","3069","","10.1039/b103423p","","","1.5418","CuKα","","0.1005","0.0684","","0.1094","0.0982","","","","","2.2","2.2","","","","","has coordinates","277870","2022-09-15","11:09:07","" "7204156","8.359","0.005","13.505","0.004","9.538","0.004","90","","111.74","0.03","90","","1000.1","0.8","150","2","150","2","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","dineopentyl 2,3-diethylbutanedioate","","- C18 H34 O4 -","- C18 H34 O4 -","- C36 H68 O8 -","2","0.5","","John R. Lindsay Smith; Eiji Nagatomi; Angela Stead; David J. Waddington","The autoxidation of aliphatic esters. Part 3. The reactions of alkoxyl and methyl radicals, from the thermolysis and photolysis of peroxides, with neopentyl esters","J. Chem. Soc., Perkin Trans. 2","2001","","9","1527","1533","10.1039/b103555j","","","0.71069","MoKα","","0.0725","0.04","","","0.1047","0.1209","","","","","","1.021","","","","has coordinates","180372","2020-10-21","18:00:00","" "7204157","8.677","0.006","9.042","0.006","10.769","0.007","113.29","0.04","90.24","0.04","115.2","0.03","686.9","0.9","160","2","160","2","","","","","","","","4","P -1","-P 1","2","","","","- C38 H31 N O -","- C38 H31 N O -","- C38 H31 N O -","1","0.5","","Moisés Canle L.; William Clegg; Ibrahim Demirtas; Mark R. J. Elsegood; Johanna Haider; Howard Maskill; Peter C. Miatt","N-Tritylhydroxylamines: preparations, structures, base strengths, and reactions with nitrous acid and perchloric acid","J. Chem. Soc., Perkin Trans. 2","2001","","9","1742","1747","10.1039/b103569j","","","1.54184","CuKα","","0.0444","0.037","","0.0947","0.0885","","","","1.07","1.084","1.084","","","","","has coordinates,has disorder","180372","2020-10-21","18:00:00","" "7204158","11.2089","0.0007","11.2083","0.0006","8.4747","0.0005","90","","90","","90","","1064.7","0.11","293","2","293","2","","","","","","","","4","I m m 2","I 2 -2","44","","","","- C8 Cd2 O22.31 Zr -","- C8 Cd2 O22.31 Zr -","- C16 Cd4 O44.62 Zr2 -","2","0.25","","Jeanneau, Erwann; Audebrand, Nathalie; Auffrédic, Jean-Paul; Louër, Daniel","Crystal structure, thermal behaviour and zeolitic properties of Cd2Zr(C2O4)4·(4 + n)H2O","Journal of Materials Chemistry","2001","11","10","2545","","10.1039/b103711k","","","0.71073","MoKα","","0.1011","0.0677","","","0.1719","0.192","","","","","","1.09","","","","has coordinates","213973","2020-10-21","18:00:00","" "7204162","12.633","0.003","3.901","0.003","18.557","0.002","90","","104.24","0.01","90","","886.4","0.7","296.2","","296.2","","","","","","","","synthesized","4","P 1 21/c 1","-P 2ybc","14","TSTeF-TCNQ","","","- C18 H8 N4 Se4 -","- C18 H8 N4 Se4.54 -","- C36 H16 N8 Se9.08 -","2","0.5","","Morikami, Atsushi; Takimiya, Kazuo; Aso, Yoshio; Otsubo, Tetsuo","Novel tellurium containing fulvalene-type electron donors, triselenatellurafulvalene (TSTeF) and diselenaditellurafulvalene (DSDTeF); synthesis, conductivities and crystal structures of their TCNQ complexes","Journal of Materials Chemistry","2001","11","10","2431","","10.1039/b104402h","","","0.7107","MoKα","","0.0241","0.0241","","","0.0215","0.0215","","","","","","2.881","","","","has coordinates","176453","2020-10-21","18:00:00","" "7204163","7.271","0.003","16.735","0.009","3.876","0.002","96.38","0.05","98.17","0.04","87.04","0.04","463.6","0.4","296.2","","296.2","","","","","","","","synthesized","5","P -1","-P 1","2","DSDTeF-TCNQ","","","- C18 H8 N4 Se2 Te2 -","- C18 H8 N4 Se2 Te2 -","- C18 H8 N4 Se2 Te2 -","1","0.5","","Morikami, Atsushi; Takimiya, Kazuo; Aso, Yoshio; Otsubo, Tetsuo","Novel tellurium containing fulvalene-type electron donors, triselenatellurafulvalene (TSTeF) and diselenaditellurafulvalene (DSDTeF); synthesis, conductivities and crystal structures of their TCNQ complexes","Journal of Materials Chemistry","2001","11","10","2431","","10.1039/b104402h","","","0.7107","MoKα","","0.0516","0.0516","","","0.0518","0.0518","","","","","","4.118","","","","has coordinates","176453","2020-10-21","18:00:00","" "7204164","9.088","0.003","10.845","0.003","8.875","0.003","106.46","0.03","109.79","0.03","104.14","0.03","731.1","0.5","296.2","","296.2","","","","","","","","synthesized","4","P -1","-P 1","2","DSDTeF","","","- C6 H4 Se2 Te2 -","- C6 H4 Se2.33333 Te1.78667 -","- C18 H12 Se7 Te5.36 -","3","1.5","","Morikami, Atsushi; Takimiya, Kazuo; Aso, Yoshio; Otsubo, Tetsuo","Novel tellurium containing fulvalene-type electron donors, triselenatellurafulvalene (TSTeF) and diselenaditellurafulvalene (DSDTeF); synthesis, conductivities and crystal structures of their TCNQ complexes","Journal of Materials Chemistry","2001","11","10","2431","","10.1039/b104402h","","","0.7107","MoKα","","0.0381","0.0378","","","0.0436","0.0437","","","","","","3.157","","","","has coordinates","176453","2020-10-21","18:00:00","" "7204166","6.651","0.0003","9.343","0.0006","14.512","0.001","87.687","0.003","84.096","0.004","89.066","0.004","896.2","0.09","150","","150","","","","","","","","","6","P -1","-P 1","2","","","","- C3 H20 Mn2 N3 O16 P4 -","- C3 H18 Mn2 N3 O16 P4 -","- C6 H36 Mn4 N6 O32 P8 -","2","1","","Ann M. Chippindale; Fabrice O. M. Gaslain; Andrew R. Cowley; Anthony V. Powell","Synthesis and characterisation of a layered organically-templated manganese phosphate, [Mn2(HPO4)3]·(NH3(CH2)2NH3)3/2·H2PO4, and its reaction with water","J. Mater. Chem.","2001","11","12","3172","3179","10.1039/b104491p","","","0.71069","MoKα","","","0.0409","","","0.0462","","","","","1.0398","1.0398","","","","","has coordinates","288252","2023-12-12","14:26:25","" "7204169","16.598","0.002","11.127","0.0012","24.24","0.003","90","","90","","90","","4476.8","0.9","296","2","296","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C21.5 H29 B2 N2 O2.5 -","- C21.5 H29 B2 N2 O2.5 -","- C172 H232 B16 N16 O20 -","8","2","","Ashton, Peter R.; Harris, Kenneth D. M.; Kariuki, Benson M.; Philp, Douglas; Robinson, James M. A.; Spencer, Neil","A borazaaromatic analogue of isophthalic acid","Journal of the Chemical Society, Perkin Transactions 2","2001","","11","2166","","10.1039/b104794a","","","0.71069","MoKα","","0.0601","0.0562","","0.1337","0.128","","","","1.108","1.11","1.11","","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00","" "7204170","10.997","0.002","7.012","0.002","14.878","0.004","90","","106.331","0.014","90","","1101","0.5","294","2","294","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C22 H30 B2 N2 O2 -","- C22 H32 B2 N2 O2 -","- C44 H64 B4 N4 O4 -","2","0.25","","Ashton, Peter R.; Harris, Kenneth D. M.; Kariuki, Benson M.; Philp, Douglas; Robinson, James M. A.; Spencer, Neil","A borazaaromatic analogue of isophthalic acid","Journal of the Chemical Society, Perkin Transactions 2","2001","","11","2166","","10.1039/b104794a","","","0.71069","MoKα","","0.1047","0.0661","","0.2105","0.1873","","","","1.074","1.244","1.244","","","","","has coordinates,has disorder","180372","2020-10-21","18:00:00","" "7204173","23.136","0.002","23.136","0.002","17.217","0.003","90","","90","","120","","7981.1","1.7","193","2","193","2","","","","","","","","3","R -3 :H","-R 3","148","","","","- C108 H54 O6 -","- C76 H54 O6 -","- C456 H324 O36 -","6","0.333333","","Shehadeh Mizyed; Muhammad Ashram; David O. Miller; Paris E. Georghiou","Supramolecular complexation of [60]fullerene with hexahomotrioxacalix[3]naphthalenes: a new class of naphthalene-based calixarenes","J. Chem. Soc., Perkin Trans. 2","2001","","10","1916","1919","10.1039/b105019m","","","0.71073","MoKα","","0.2501","0.154","","","0.406","0.4622","","","","","","1.471","","","","has coordinates","213973","2020-10-21","18:00:00","" "7204176","12.351","0.002","23.632","0.004","7.603","0.001","90","0","101.47","0.01","90","0","2174.8","0.6","298","","","","","","","","","","Local laboratory","5","P 1 21/n 1","-P 2yn","14","","","","- C25 H11 N4 O S4 -","- C26 H11 N4 O S4 -","- C104 H44 N16 O4 S16 -","4","1","","Sekizaki, Shuichi; Tada, Chiyoko; Yamochi, Hideki; Saito, Gunzi","Structural aspects of a series of cation radical salts of tetrathiotetracene (TTT) with 2-alkoxy-1,1,3,3-tetracyanoallyl anions (RO-TCA‒; R = Me, Et, Prn, Bun)","Journal of Materials Chemistry","2001","11","9","2293","","10.1039/b105340j","","","0.71073","MoK-alpha","","","0.041","","","0.046","","","","","2.303","2.303","","","","","has coordinates","176453","2020-10-21","18:00:00","" "7204177","7.573","0.001","14.909","0.001","23.061","0.002","74.423","0.004","88.636","0.005","83.511","0.005","2492","0.4","298","","","","","","","","","","Local laboratory","5","P -1","-P 1","2","","","","- C27 H15 N4 O1.25 S4 -","- C28 H13 N4 O1.25 S4 -","- C112 H52 N16 O5 S16 -","4","2","","Sekizaki, Shuichi; Tada, Chiyoko; Yamochi, Hideki; Saito, Gunzi","Structural aspects of a series of cation radical salts of tetrathiotetracene (TTT) with 2-alkoxy-1,1,3,3-tetracyanoallyl anions (RO-TCA‒; R = Me, Et, Prn, Bun)","Journal of Materials Chemistry","2001","11","9","2293","","10.1039/b105340j","","","0.71073","MoK-alpha","","","0.039","","","0.042","","","","","1.289","1.289","","","","","has coordinates","176453","2020-10-21","18:00:00","" "7204178","20.971","0.007","21.949","0.008","14.078","0.005","90","0","128.7","0.02","90","0","5057","3","298","","","","","","","","","","Local laboratory","5","C 1 2/c 1","-C 2yc","15","","","","- C29 H17 N4 O S4 -","- C29 H17 N4 O S4 -","- C232 H136 N32 O8 S32 -","8","1","","Sekizaki, Shuichi; Tada, Chiyoko; Yamochi, Hideki; Saito, Gunzi","Structural aspects of a series of cation radical salts of tetrathiotetracene (TTT) with 2-alkoxy-1,1,3,3-tetracyanoallyl anions (RO-TCA‒; R = Me, Et, Prn, Bun)","Journal of Materials Chemistry","2001","11","9","2293","","10.1039/b105340j","","","0.71073","MoK-alpha","","","0.048","","","0.047","","","","","2.742","2.742","","","","","has coordinates","176453","2020-10-21","18:00:00","" "7204179","11.969","0.002","12.06","0.002","11.166","0.002","73.67","0.01","84.16","0.01","59.91","0.008","1336.8","0.4","298","","","","","","","","","","Local laboratory","5","P -1","-P 1","2","","","","- C30 H19 N4 O1.5 S4 -","- C30 H15 N4 O1.5 S4 -","- C60 H30 N8 O3 S8 -","2","1","","Sekizaki, Shuichi; Tada, Chiyoko; Yamochi, Hideki; Saito, Gunzi","Structural aspects of a series of cation radical salts of tetrathiotetracene (TTT) with 2-alkoxy-1,1,3,3-tetracyanoallyl anions (RO-TCA‒; R = Me, Et, Prn, Bun)","Journal of Materials Chemistry","2001","11","9","2293","","10.1039/b105340j","","","0.71073","MoK-alpha","","","0.083","","","0.08","","","","","1.767","1.767","","","","","has coordinates","176453","2020-10-21","18:00:00","" "7204180","7.814","0.001","8.649","0.002","14.448","0.002","105.06","0.01","91.61","0.01","116.51","0.01","832","0.3","298","","","","","","","","","","Local laboratory","5","P -1","-P 1","2","","","","- C36 H18 N8 O2 S4 -","- C36 H18 N8 O2 S4 -","- C36 H18 N8 O2 S4 -","1","0.5","","Sekizaki, Shuichi; Tada, Chiyoko; Yamochi, Hideki; Saito, Gunzi","Structural aspects of a series of cation radical salts of tetrathiotetracene (TTT) with 2-alkoxy-1,1,3,3-tetracyanoallyl anions (RO-TCA‒; R = Me, Et, Prn, Bun)","Journal of Materials Chemistry","2001","11","9","2293","","10.1039/b105340j","","","0.71073","MoK-alpha","","","0.049","","","0.049","","","","","0.65","0.65","","","","","has coordinates","176453","2020-10-21","18:00:00","" "7204181","7.915","0.002","8.923","0.004","14.943","0.004","108.34","0.02","90.04","0.02","117.84","0.02","872","0.6","298","","","","","","","","","","Local laboratory","5","P -1","-P 1","2","","","","- C38 H22 N8 O2 S4 -","- C38 H22 N8 O2 S4 -","- C38 H22 N8 O2 S4 -","1","0.5","","Sekizaki, Shuichi; Tada, Chiyoko; Yamochi, Hideki; Saito, Gunzi","Structural aspects of a series of cation radical salts of tetrathiotetracene (TTT) with 2-alkoxy-1,1,3,3-tetracyanoallyl anions (RO-TCA‒; R = Me, Et, Prn, Bun)","Journal of Materials Chemistry","2001","11","9","2293","","10.1039/b105340j","","","0.71073","MoK-alpha","","","0.05","","","0.052","","","","","0.822","0.822","","","","","has coordinates","176453","2020-10-21","18:00:00","" "7204182","10.357","0.003","12.243","0.008","14.085","0.009","74.74","0.05","69.26","0.04","73.11","0.04","1572.3","1.6","298","","","","","","","","","","Local laboratory","5","P -1","-P 1","2","","","","- C74 H38 N8 O2 S12 -","- C74 H38 N8 O2 S12 -","- C74 H38 N8 O2 S12 -","1","0.5","","Sekizaki, Shuichi; Tada, Chiyoko; Yamochi, Hideki; Saito, Gunzi","Structural aspects of a series of cation radical salts of tetrathiotetracene (TTT) with 2-alkoxy-1,1,3,3-tetracyanoallyl anions (RO-TCA‒; R = Me, Et, Prn, Bun)","Journal of Materials Chemistry","2001","11","9","2293","","10.1039/b105340j","","","0.71073","MoK-alpha","","","0.05","","","0.048","","","","","2.104","2.104","","","","","has coordinates","176453","2020-10-21","18:00:00","" "7204183","5.3164","0.0003","11.9673","0.0007","20.8468","0.0012","90","","90","","90","","1326.33","0.13","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C15 H19 N O4 -","- C15 H19 N O4 -","- C60 H76 N4 O16 -","4","1","","Allin, Steven M.; James, Stella L.; Martin, William P.; Smith, Timothy A. D.; Elsegood, Mark R. J.","Stereoselective synthesis of the pyrroloisoquinoline ring system","Journal of the Chemical Society, Perkin Transactions 1","2001","","22","3029","","10.1039/b105402n","","","0.71073","MoKα","","0.0394","0.0333","","","0.0798","0.0835","","","","","","1.029","","","","has coordinates","211332","2020-10-21","18:00:00","" "7204184","7.715","0.0006","8.0282","0.0006","10.0287","0.0008","90","","109.876","0.002","90","","584.15","0.08","150","2","150","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C14 H17 N O2 -","- C14 H17 N O2 -","- C28 H34 N2 O4 -","2","1","","Allin, Steven M.; James, Stella L.; Martin, William P.; Smith, Timothy A. D.; Elsegood, Mark R. J.","Stereoselective synthesis of the pyrroloisoquinoline ring system","Journal of the Chemical Society, Perkin Transactions 1","2001","","22","3029","","10.1039/b105402n","","","0.71073","MoKα","","0.031","0.0298","","","0.0799","0.0807","","","","","","1.059","","","","has coordinates","211332","2020-10-21","18:00:00","" "7204185","10.5447","0.001","9.5411","0.0009","14.7057","0.0013","90","","94.006","0.002","90","","1475.9","0.2","150","2","150","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C16 H21 N O4 -","- C16 H21 N O4 -","- C64 H84 N4 O16 -","4","2","","Allin, Steven M.; James, Stella L.; Martin, William P.; Smith, Timothy A. D.; Elsegood, Mark R. J.","Stereoselective synthesis of the pyrroloisoquinoline ring system","Journal of the Chemical Society, Perkin Transactions 1","2001","","22","3029","","10.1039/b105402n","","","0.71073","MoKα","","0.0495","0.0349","","","0.0735","0.0786","","","","","","0.971","","","","has coordinates","211332","2020-10-21","18:00:00","" "7204186","7.5509","0.0007","7.9475","0.0008","23.423","0.002","90","","90","","90","","1405.6","0.2","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C15 H26 O S -","- C15 H26 O S -","- C60 H104 O4 S4 -","4","1","","Varinder K. Aggarwal; Rémy Angelaud; Dominique Bihan; Paul Blackburn; Robin Fieldhouse; Silvia J. Fonquerna; Gair D. Ford; George Hynd; Elfyn Jones; Ray V. H. Jones; Philippe Jubault; Matthew J. Palmer; Paul D. Ratcliffe; Harry Adams","Synthesis and evaluation of a broad range of chiral sulfides for asymmetric sulfur ylide epoxidation of aldehydes","J. Chem. Soc., Perkin Trans. 1","2001","","20","2604","2622","10.1039/b105416n","","","0.71073","MoKα","","0.0481","0.0453","","","0.1138","0.116","","","","","","1.072","","","","has coordinates","202017","2020-10-21","18:00:00","" "7204187","5.2525","0.0019","10.029","0.004","17.826","0.007","90","","90","","90","","939","0.6","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C8 H14 O3 S -","- C8 H14 O3 S -","- C32 H56 O12 S4 -","4","1","","Varinder K. Aggarwal; Rémy Angelaud; Dominique Bihan; Paul Blackburn; Robin Fieldhouse; Silvia J. Fonquerna; Gair D. Ford; George Hynd; Elfyn Jones; Ray V. H. Jones; Philippe Jubault; Matthew J. Palmer; Paul D. Ratcliffe; Harry Adams","Synthesis and evaluation of a broad range of chiral sulfides for asymmetric sulfur ylide epoxidation of aldehydes","J. Chem. Soc., Perkin Trans. 1","2001","","20","2604","2622","10.1039/b105416n","","","0.71073","MoKα","","0.0709","0.0638","","","0.1515","0.1577","","","","","","1.035","","","","has coordinates","202017","2020-10-21","18:00:00","" "7204193","27.0233","0.0002","14.3417","0.0003","20.1259","0.0004","90","","96.751","0.001","90","","7745.9","0.2","180","2","180","2","","","","","","","","7","C 1 2 1","C 2y","5","","","","- C18 H21 B Br N O P -","- C18 H21 B Br N O P -","- C288 H336 B16 Br16 N16 O16 P16 -","16","4","","Leung, Wilson; Cosway, Sarah; Jones, Raymond H. V.; McCann, Hannah; Wills, Martin","Synthesis of dihydrobenzazaphosphole ligands via an intramolecular cyclisation reaction","Journal of the Chemical Society, Perkin Transactions 1","2001","","20","2588","","10.1039/b105495n","","","0.71073","MoKα","","0.1126","0.0521","","0.1167","0.0954","","","","0.947","1.042","1.042","","","","","has coordinates","180372","2020-10-21","18:00:00","" "7204211","6.5432","0.0013","16.283","0.003","11.42","0.002","90","","94.81","0.03","90","","1212.4","0.4","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","3a,5,5,6,7a-pentachloro-tetrahydro(1,3)dithiolo(4,5-b)(1,4)dithiin-2-one","","- C5 H Cl5 O S4 -","- C5 H Cl5 O S4 -","- C20 H4 Cl20 O4 S16 -","4","1","","Olivier J. Dautel; Marc Fourmigué","Polyhalogenated BEDT-TTF through chlorination (SO2Cl2, Cl2) and fluorination (®Selectfluor, XeF2) of 5,6-dihydro[1,3]dithiolo[4,5-b][1,4]dithiin-2-one","J. Chem. Soc., Perkin Trans. 1","2001","","24","3399","3402","10.1039/b106144p","","","0.71073","MoKα","","0.0655","0.0379","","","0.0926","0.0983","","","","","","0.892","","","","has coordinates","213973","2020-10-21","18:00:00","" "7204218","9.1435","0.0002","27.8109","0.0003","5.8488","0.001","90","","90","","90","","1487.3","0.3","123","2","123","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C15 H17 N O5 -","- C15 H17 N O5 -","- C60 H68 N4 O20 -","4","1","","Correa, Waldo H.; Scott, Janet L.","Solvent-free, two-step synthesis of some unsymmetrical 4-aryl-1,4-dihydropyridines","Green Chemistry","2001","3","6","296","301","10.1039/b106397a","","","0.71073","MoKα","","0.0869","0.049","","","0.0883","0.1012","","","","","","1.039","","","","has coordinates","264728","2021-04-30","11:43:03","" "7204219","5.634","0.007","16.312","0.006","11.909","0.006","90","","94.2","0.09","90","","1091.5","1.5","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C20 H33 N O7 -","- C20 H33 N O7 -","- C40 H66 N2 O14 -","2","1","","Charrier, Jean-Damien; Duffy, James E. S.; Hitchcock, Peter B.; Young, Douglas W.","Unusual stereoselectivity in the alkylation of pyroglutamate ester urethanes","Journal of the Chemical Society, Perkin Transactions 1","2001","","19","2367","","10.1039/b106451g","","","0.71073","MoKα","","0.0769","0.0603","","0.1694","0.1514","","","","1.095","1.092","1.092","","","","","has coordinates,has disorder","180373","2020-10-21","18:00:00","" "7204226","17.086","0.011","6.566","0.007","20.949","0.009","90","","101.53","0.04","90","","2303","3","180","2","180","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C23 H26 N2 O9 S -","- C23 H26 N2 O9 S -","- C92 H104 N8 O36 S4 -","4","1","","Christlieb, Martin; Davies, John E.; Eames, Jason; Hooley, Richard; Warren, Stuart","The stereoselective synthesis of oxetanes; exploration of a new, Mitsunobu-style procedure for the cyclisation of 1,3-diols","Journal of the Chemical Society, Perkin Transactions 1","2001","","22","2983","","10.1039/b106851b","","","0.71069","MoKα","","0.1434","0.0695","","","0.1457","0.1781","","","","","","1.013","","","","has coordinates","180373","2020-10-21","18:00:00","" "7204231","10.12","0.002","11.74","0.002","25.984","0.005","90","","91.78","0.03","90","","3085.6","1","213","2","213","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C15 H15 Cl2 N O4 -","- C15 H15 Cl2 N O4 -","- C120 H120 Cl16 N8 O32 -","8","2","","Alves, M. José; Azoia, Nuno G.; Bickley, Jamie F.; Fortes, A. Gil; Gilchrist, Thomas L.; Mendonça, Ricardo","Diels‒Alder reactions of alkyl 2H-azirine-3-carboxylates with furans","Journal of the Chemical Society, Perkin Transactions 1","2001","","22","2969","","10.1039/b106985n","","","0.71073","MoKα","","0.058","0.0434","","","0.1054","0.1109","","","","","","0.951","","","","has coordinates,has disorder","180373","2020-10-21","18:00:00","" "7204232","9.0873","0.0018","9.1031","0.0018","9.6666","0.0019","84.86","0.03","82.88","0.03","69.28","0.03","741.3","0.3","213","2","213","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H13 Cl2 N O4 -","- C14 H13 Cl2 N O4 -","- C28 H26 Cl4 N2 O8 -","2","1","","Alves, M. José; Azoia, Nuno G.; Bickley, Jamie F.; Fortes, A. Gil; Gilchrist, Thomas L.; Mendonça, Ricardo","Diels‒Alder reactions of alkyl 2H-azirine-3-carboxylates with furans","Journal of the Chemical Society, Perkin Transactions 1","2001","","22","2969","","10.1039/b106985n","","","0.71073","MoKα","","0.0439","0.0349","","","0.09","0.0936","","","","","","1.052","","","","has coordinates","180373","2020-10-21","18:00:00","" "7204233","18.731","0.013","8.372","0.004","19.99","0.03","90","","117.72","0.14","90","","2775","6","213","2","213","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C14 H11 Cl2 N O3 -","- C14 H11 Cl2 N O3 -","- C112 H88 Cl16 N8 O24 -","8","1","","Alves, M. José; Azoia, Nuno G.; Bickley, Jamie F.; Fortes, A. Gil; Gilchrist, Thomas L.; Mendonça, Ricardo","Diels‒Alder reactions of alkyl 2H-azirine-3-carboxylates with furans","Journal of the Chemical Society, Perkin Transactions 1","2001","","22","2969","","10.1039/b106985n","","","0.71073","MoKα","","0.1102","0.0441","","","0.0903","0.1083","","","","","","0.762","","","","has coordinates","180373","2020-10-21","18:00:00","" "7204234","10.514","0.002","28.46","0.002","5.86","0.002","90","","90","","90","","1753.5","0.7","288","2","288","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","mpc","Macrosphelide C","","- C16 H22 O7 -","- C16 H22 O7 -","- C64 H88 O28 -","4","1","","Aggarwal, Varinder K.; Charmant, Jonathan P. H.; Ciampi, Cinzia; Hornby, Jonathan M.; O'Brien, Christopher J.; Hynd, George; Parsons, Richard","Additions of stabilised and semi-stabilised sulfur ylides to tosyl protected imines: are they under kinetic or thermodynamic control?","Journal of the Chemical Society, Perkin Transactions 1","2001","","23","3159","","10.1039/b107275g","","","1.5418","CuKα","","0.0532","0.0437","","","0.1055","0.1135","","","","","","1.06","","","","has coordinates","213973","2020-10-21","18:00:00","" "7204235","10.8889","0.0002","14.1687","0.0008","14.6071","0.0002","117.946","0.001","91.825","0.001","96.606","0.001","1968.13","0.12","123","2","123","2","","","","","","","","4","P -1","-P 1","2","4'-(4-butoxyphenyl)-4,2';6',4''-terpyridine","","","- C25 H23 N3 O -","- C25 H23 N3 O -","- C100 H92 N12 O4 -","4","2","","Cave, Gareth W. V.; Raston, Colin L.","Efficient synthesis of pyridines via a sequential solventless aldol condensation and Michael addition","Journal of the Chemical Society, Perkin Transactions 1","2001","","24","3258","3264","10.1039/b107302h","","","0.71073","MoKα","","0.1111","0.0577","","","0.1449","0.192","","","","","","1.042","","","","has coordinates","180547","2020-10-21","18:00:00","" "7204242","11.8436","0.0006","12.9482","0.0006","16.3048","0.0008","90","","90","","90","","2500.4","0.2","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","spirocaesalmin","","","- C25 H34 O10 -","- C25 H34 O10 -","- C100 H136 O40 -","4","1","","Jiang, Ren-Wang; Ma, Shuang-Cheng; But, Paul P. H.; Mak, Thomas C. W.","Isolation and characterization of spirocaesalmin, a novel rearranged vouacapane diterpenoid from Caesalpinia minax Hance","Journal of the Chemical Society, Perkin Transactions 1","2001","","22","2920","","10.1039/b107473n","","","0.71073","MoKα","","0.0645","0.0391","","","0.0838","0.0944","","","","","","0.958","","","","has coordinates","213973","2020-10-21","18:00:00","" "7204254","8.536","0.002","11.15","0.003","10.547","0.002","90","","105.4","0.02","90","","967.8","0.4","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C10 H17 N O -","- C10 H17 N O -","- C40 H68 N4 O4 -","4","1","","J. Stephen Clark; Paul B. Hodgson; Michael D. Goldsmith; Alexander J. Blake; Paul A. Cooke; Leslie J. Street","Rearrangement of ammonium ylides produced by intramolecular reaction of catalytically generated metal carbenoids. Part 2. Stereoselective synthesis of bicyclic amines","J. Chem. Soc., Perkin Trans. 1","2001","","24","3325","3337","10.1039/b108182a","","","0.71073","MoKα","","0.0827","0.057","","","0.119","0.1407","","","","","","1.053","","","","has coordinates","211332","2020-10-21","18:00:00","" "7204255","18.996","0.002","8.413","0.003","6.982","0.002","90","","90","","90","","1115.8","0.5","293","2","293","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C11 H19 N O -","- C11 H19 N O -","- C44 H76 N4 O4 -","4","1","","J. Stephen Clark; Paul B. Hodgson; Michael D. Goldsmith; Alexander J. Blake; Paul A. Cooke; Leslie J. Street","Rearrangement of ammonium ylides produced by intramolecular reaction of catalytically generated metal carbenoids. Part 2. Stereoselective synthesis of bicyclic amines","J. Chem. Soc., Perkin Trans. 1","2001","","24","3325","3337","10.1039/b108182a","","","1.5418","CuKα","","0.0643","0.0541","","","0.1345","0.141","","","","","","1.091","","","","has coordinates","211332","2020-10-21","18:00:00","" "7204256","7.554","0.004","7.161","0.003","19.49","0.02","90","","100.12","0.08","90","","1037.9","1.3","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C11 H19 N O -","- C11 H19 N O -","- C44 H76 N4 O4 -","4","1","","J. Stephen Clark; Paul B. Hodgson; Michael D. Goldsmith; Alexander J. Blake; Paul A. Cooke; Leslie J. Street","Rearrangement of ammonium ylides produced by intramolecular reaction of catalytically generated metal carbenoids. Part 2. Stereoselective synthesis of bicyclic amines","J. Chem. Soc., Perkin Trans. 1","2001","","24","3325","3337","10.1039/b108182a","","","0.71073","MoKα","","0.1263","0.075","","","0.1587","0.1988","","","","","","1.071","","","","has coordinates","211332","2020-10-21","18:00:00","" "7204265","5.666","0.002","8.4652","0.001","10.4672","0.0009","109.348","0.007","98.654","0.014","95.745","0.012","462.21","0.18","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C9 H11 B O4 -","- C9 H11 B O4 -","- C18 H22 B2 O8 -","2","1","","Yen-Ling Tan; Andrew J. P. White; David A. Widdowson; René Wilhelm; David J. Williams","Dilithiation of arenetricarbonylchromium(0) complexes with enantioselective quench: application to chiral biaryl synthesis","J. Chem. Soc., Perkin Trans. 1","2001","","24","3269","3280","10.1039/b108807f","","","1.54178","CuKα","","0.0482","0.0429","","0.1225","0.1153","","","","1.077","1.097","1.097","","","","","has coordinates","202017","2020-10-21","18:00:00","" "7204266","10.8222","0.0014","11.509","0.002","17.707","0.002","90","","90","","90","","2205.5","0.5","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C24 H20 Cr O6 -","- C24 H20 Cr O6 -","- C96 H80 Cr4 O24 -","4","1","","Yen-Ling Tan; Andrew J. P. White; David A. Widdowson; René Wilhelm; David J. Williams","Dilithiation of arenetricarbonylchromium(0) complexes with enantioselective quench: application to chiral biaryl synthesis","J. Chem. Soc., Perkin Trans. 1","2001","","24","3269","3280","10.1039/b108807f","","","0.71073","MoKα","","0.0442","0.0383","","0.094","0.0899","","","","1.032","1.048","1.048","","","","","has coordinates","176453","2020-10-21","18:00:00","" "7204267","12.5356","0.0015","12.5356","0.0015","13.273","0.002","90","","90","","120","","1806.3","0.4","293","2","293","2","","","","","","","","4","P 31","P 31","144","","","","- C26 H24 Cr O8 -","- C26 H24 Cr O8 -","- C78 H72 Cr3 O24 -","3","1","","Yen-Ling Tan; Andrew J. P. White; David A. Widdowson; René Wilhelm; David J. Williams","Dilithiation of arenetricarbonylchromium(0) complexes with enantioselective quench: application to chiral biaryl synthesis","J. Chem. Soc., Perkin Trans. 1","2001","","24","3269","3280","10.1039/b108807f","","","1.54178","CuKα","","0.198","0.0879","","0.1789","0.1245","","","","1.051","1.271","1.271","","","","","has coordinates","176453","2020-10-21","18:00:00","" "7204268","6.6813","0.0006","13.75","0.002","7.4108","0.0006","90","","106.179","0.006","90","","653.85","0.13","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C12 H10 Cr O6 -","- C12 H10 Cr O6 -","- C24 H20 Cr2 O12 -","2","1","","Yen-Ling Tan; Andrew J. P. White; David A. Widdowson; René Wilhelm; David J. Williams","Dilithiation of arenetricarbonylchromium(0) complexes with enantioselective quench: application to chiral biaryl synthesis","J. Chem. Soc., Perkin Trans. 1","2001","","24","3269","3280","10.1039/b108807f","","","0.71073","MoKα","","0.0498","0.0396","","0.0972","0.09","","","","1.043","1.056","1.056","","","","","has coordinates","176453","2020-10-21","18:00:00","" "7204269","8.3515","0.0013","10.1419","0.0012","20.393","0.002","91.132","0.009","91.211","0.01","110.571","0.01","1616.1","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H42 Cr O9 Si -","- C30 H42 Cr O9 Si -","- C60 H84 Cr2 O18 Si2 -","2","1","","Yen-Ling Tan; Andrew J. P. White; David A. Widdowson; René Wilhelm; David J. Williams","Dilithiation of arenetricarbonylchromium(0) complexes with enantioselective quench: application to chiral biaryl synthesis","J. Chem. Soc., Perkin Trans. 1","2001","","24","3269","3280","10.1039/b108807f","","","1.54178","CuKα","","0.0828","0.0576","","0.1625","0.1421","","","","1.031","1.088","1.088","","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00","" "7204270","8.813","0.001","11.418","0.002","18.102","0.002","90","","103.54","0.01","90","","1770.9","0.4","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H22 N2 O3 -","- C20 H22 N2 O3 -","- C80 H88 N8 O12 -","4","1","","Patrick D. Bailey; Neill Bannister; Marine Bernad; Sophie Blanchard; Andrew N. Boa","Synthesis of conformationally constrained amino acid and peptide derivatives","J. Chem. Soc., Perkin Trans. 1","2001","","24","3245","3251","10.1039/b108872f","","","0.71073","MoKα","","0.0476","0.0372","","0.101","0.0933","","","","1.022","1.046","1.046","","","","","has coordinates","180373","2020-10-21","18:00:00","" "7204901","12.717","0.003","12.894","0.003","7.274","0.001","90","","118.49","0.03","90","","1048.3","0.5","298","2","298","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C5 H6 Bi Cl4 N -","- C5 H6 Bi Cl4 N -","- C20 H24 Bi4 Cl16 N4 -","4","1","","Jóźków, Jolanta; Medycki, Wojciech; Zaleski, Jacek; Jakubas, Ryszard; Bator, Grażyna; Ciunik, Zbigniew","Structure, phase transition and molecular motions in (C5H5NH)BiCl4","Physical Chemistry Chemical Physics","2001","3","15","3222","","10.1039/b102697f","","","0.71073","MoKα","","0.034","0.0268","","","0.0693","0.0718","","","","","","1.129","","","","has coordinates","212110","2020-10-21","18:00:00","" "7204902","19.8693","0.0009","13.459","0.0005","30.405","0.002","90","","108.422","0.002","90","","7714.3","0.7","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","sodium 5,11,17,23-tetra-tert-butyl-25,26,27,28-tetra(benzoyl)methoxy calix(4)arene monoacetonitrile perchlorate","","- C80 H91 Cl N Na O14 -","- C80 H88 Cl N Na O14 -","- C320 H352 Cl4 N4 Na4 O56 -","4","1","","Danil de Namor, Angela F.; Kowalska, Dorota; Castellano, Eduardo E.; Piro, Oscar E.; Sueros Velarde, Felix J.; Villanueva Salas, Jose","Lower rim calix(4)arene ketone derivatives and their interaction with alkali metal cations. Structural and thermodynamic (solution and complexation) characterisation of the tetraphenyl ketone derivative and its sodium complex","Physical Chemistry Chemical Physics","2001","3","18","4010","","10.1039/b104355m","","","0.71073","MoKα","","0.1504","0.1066","","","0.3058","0.3416","","","","","","1.32","","","","has coordinates","180380","2020-10-21","18:00:00","" "7204903","29.487","0.004","24.884","0.002","20.322","0.004","90","","115.49","0.01","90","","13460","4","296","2","296","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","5,11,17,23-tetra-tert-butyl-25,26,27,28-tetra(benzoyl)methoxy calix(4)arene","","- C76 H80 O8 -","- C76 H80 O8 -","- C608 H640 O64 -","8","1","","Danil de Namor, Angela F.; Kowalska, Dorota; Castellano, Eduardo E.; Piro, Oscar E.; Sueros Velarde, Felix J.; Villanueva Salas, Jose","Lower rim calix(4)arene ketone derivatives and their interaction with alkali metal cations. Structural and thermodynamic (solution and complexation) characterisation of the tetraphenyl ketone derivative and its sodium complex","Physical Chemistry Chemical Physics","2001","3","18","4010","","10.1039/b104355m","","","1.54184","CuKα","","0.2183","0.0763","","0.2902","0.1735","","","","1.061","1.082","1.082","","","","","has coordinates","202017","2020-10-21","18:00:00","" "7204905","6.8645","0.0003","19.7584","0.0012","13.7107","0.0007","90","","95.978","0.003","90","","1849.49","0.17","120","2","120","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","Ru(dcbpy)(CO)2I2.(H2O)","","","- C14 H10 I2 N2 O7 Ru -","- C14 H10 I2 N2 O7 Ru -","- C56 H40 I8 N8 O28 Ru4 -","4","1","","Luukkanen, Saija; Haukka, Matti; Eskelinen, Esa; Pakkanen, Tapani A.; Lehtovuori, Viivi; Kallioinen, Jani; Myllyperkiö, Pasi; Korppi-Tommola, Jouko","Photochemical reactivity of halogen-containing ruthenium‒dcbpy (dcbpy = 4,4'-dicarboxylic acid-2,2'-bipyridine) compounds, trans(Br)-[Ru(dcbpy)(CO)2Br2] and trans(I)-[Ru(dcbpy)(CO)2I2]","Physical Chemistry Chemical Physics","2001","3","11","1992","","10.1039/b100659m","","","0.71073","MoKα","","0.0449","0.0311","","","0.0646","0.0692","","","","","","1.054","","","","has coordinates","180380","2020-10-21","18:00:00","" "7204931","13.036","0.003","8.7286","0.0017","12.938","0.003","90","","90","","90","","1472.2","0.6","293","2","293","2","","","","","","","","5","P b c n","-P 2n 2ab","60","sodium zinc germanate hydroxide hydrate","","","- Ge2 H4 Na2 O8 Zn -","- Ge4 H8 Na4 O16 Zn2 -","- Ge16 H32 Na16 O64 Zn8 -","4","0.5","","Reisner, Barbara A.; Tripathi, Akhilesh; Parise, John B.","Na8[Zn4Ge8O18(OH)12]·2H2O: An interrupted-framework zincogermanate built from [GeO3(OH)] and [Ge2(OH)2] units","Journal of Materials Chemistry","2001","11","3","887","","10.1039/b004668j","","","0.71073","MoKα","","0.0595","0.0434","","","0.1206","0.1293","","","","","","1.06","","","","has coordinates","288259","2023-12-12","16:04:06","" "7204932","46.295","0.005","5.334","0.001","20.156","0.002","90","","94.11","0.01","90","","4964.5","1.2","170","2","170","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C32 H16 F52 S4 Sn -","- C32 H16 F52 S4 Sn -","- C128 H64 F208 S16 Sn4 -","4","0.5","","Hibbert, Tom G.; Mahon, Mary F.; Molloy, Kieran C.; Price, Louise S.; Parkin, Ivan P.","Deposition of tin sulfide thin films from novel, volatile (fluoroalkythiolato)tin(iv) precursors","Journal of Materials Chemistry","2001","11","2","469","","10.1039/b005863g","","","0.71069","MoKα","","0.0479","0.0319","","","0.0839","0.0897","","","","","","0.869","","","","has coordinates","180380","2020-10-21","18:00:00","" "7204933","17.192","0.001","8.553","0.002","8.342","0.001","90","","90","","90","","1226.6","0.3","293","2","293","2","","","","","","","","4","P b a 2","P 2 -2ab","32","","","","- C24 H20 S4 Sn -","- C24 H20 S4 Sn -","- C48 H40 S8 Sn2 -","2","0.5","","Barone, Giampaolo; Hibbert, Tom G.; Mahon, Mary F.; Molloy, Kieran C.; Price, Louise S.; Parkin, Ivan P.; Hardy, Amanda M. E.; Field, Mark N.","Deposition of tin sulfide thin films from tin(iv) thiolate precursors","Journal of Materials Chemistry","2001","11","2","464","","10.1039/b005888m","","","0.7093","","","0.0872","0.0527","","0.1494","0.1179","","","","1.073","1.244","1.244","","","","","has coordinates","180380","2020-10-21","18:00:00","" "7204934","5.481","0.004","6.791","0.008","35.877","0.029","90","","90","","90","","1335","2","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C14 H15 N3 O2 -","- C14 H15 N3 O2 -","- C56 H60 N12 O8 -","4","1","","Langley, Philip J.; Bailey, Ray T.; Cruickshank, Frank R.; Kennedy, Alan R.; Lochran, Stephen; Pugh, David; Sherwood, John N.; Viikki, Anna; Wallis, John D.","Synthesis, characterisation and structure‒property analysis of derivatives of the non-linear optical material 5-nitro-N-(1-phenylethyl)pyridin-2-amine","Journal of Materials Chemistry","2001","11","4","1047","","10.1039/b008124h","","","0.71069","MoKα","","0.0765","0.0573","","0.1794","0.1718","","","","1.234","1.318","1.318","","","","","has coordinates","202017","2020-10-21","18:00:00","" "7204935","11.415","0.0007","10.6973","0.0005","16.935","0.002","90","","102.638","0.009","90","","2017.8","0.3","150","2","150","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C14 H15 N3 O2 -","- C14 H15 N3 O2 -","- C84 H90 N18 O12 -","6","3","","Langley, Philip J.; Bailey, Ray T.; Cruickshank, Frank R.; Kennedy, Alan R.; Lochran, Stephen; Pugh, David; Sherwood, John N.; Viikki, Anna; Wallis, John D.","Synthesis, characterisation and structure‒property analysis of derivatives of the non-linear optical material 5-nitro-N-(1-phenylethyl)pyridin-2-amine","Journal of Materials Chemistry","2001","11","4","1047","","10.1039/b008124h","","","0.71069","MoKα","","0.0635","0.0501","","0.1288","0.1186","","","","0.661","0.713","0.713","","","","","has coordinates","180380","2020-10-21","18:00:00","" "7204936","8.979","0.001","15.977","0.002","9.41","0.002","90","","96.52","0.01","90","","1341.2","0.4","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C14 H15 N3 O2 -","- C14 H15 N3 O2 -","- C56 H60 N12 O8 -","4","2","","Langley, Philip J.; Bailey, Ray T.; Cruickshank, Frank R.; Kennedy, Alan R.; Lochran, Stephen; Pugh, David; Sherwood, John N.; Viikki, Anna; Wallis, John D.","Synthesis, characterisation and structure‒property analysis of derivatives of the non-linear optical material 5-nitro-N-(1-phenylethyl)pyridin-2-amine","Journal of Materials Chemistry","2001","11","4","1047","","10.1039/b008124h","","","0.71069","MoKα","","0.0643","0.0481","","0.1351","0.1101","","","","0.942","1.029","1.029","","","","","has coordinates","180380","2020-10-21","18:00:00","" "7204937","6.9781","0.0011","22.337","0.004","8.3899","0.0012","90","","91.149","0.012","90","","1307.5","0.4","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H15 N3 O2 -","- C14 H15 N3 O2 -","- C56 H60 N12 O8 -","4","1","","Langley, Philip J.; Bailey, Ray T.; Cruickshank, Frank R.; Kennedy, Alan R.; Lochran, Stephen; Pugh, David; Sherwood, John N.; Viikki, Anna; Wallis, John D.","Synthesis, characterisation and structure‒property analysis of derivatives of the non-linear optical material 5-nitro-N-(1-phenylethyl)pyridin-2-amine","Journal of Materials Chemistry","2001","11","4","1047","","10.1039/b008124h","","","0.71069","MoKα","","0.0663","0.0398","","","0.1006","0.1188","","","","","","1.055","","","","has coordinates","202017","2020-10-21","18:00:00","" "7204938","10.348","0.0006","15.55","0.001","9.261","0.0005","98.125","0.005","107.703","0.004","75.622","0.003","1371.67","0.14","293.2","","293.2","","","","","","","","","6","P -1","-P 1","2","","","","- C40 H26 Cl F2 I2 S24 -","- C40 H26 Cl0.5 F2 I2 S24 -","- C40 H26 Cl0.5 F2 I2 S24 -","1","0.5","","Yamamoto, Hiroshi M.; Maeda, Ryoko; Yamaura, Jun-Ichi; Kato, Reizo","Structural and physical properties of conducting cation radical salts containing supramolecular assemblies based on p-bis(iodoethynyl)benzene derivatives","Journal of Materials Chemistry","2001","11","4","1034","","10.1039/b008170l","","","0.7107","MoKα","","","0.0327","","","0.0408","","","","","2.762","2.762","","","","","has coordinates","211332","2020-10-21","18:00:00","" "7204939","10.353","0.001","15.387","0.002","9.394","0.001","98.466","0.007","107.504","0.008","76.364","0.008","1382.2","0.3","293.2","","293.2","","","","","","","","","6","P -1","-P 1","2","","","","- C40 H26 Br F2 I2 S24 -","- C40 H26 Br0.5 F2 I2 S24 -","- C40 H26 Br0.5 F2 I2 S24 -","1","0.5","","Yamamoto, Hiroshi M.; Maeda, Ryoko; Yamaura, Jun-Ichi; Kato, Reizo","Structural and physical properties of conducting cation radical salts containing supramolecular assemblies based on p-bis(iodoethynyl)benzene derivatives","Journal of Materials Chemistry","2001","11","4","1034","","10.1039/b008170l","","","0.7107","MoKα","","0.1649","0.1413","","0.3765","","","","","0.931","","","","","","","has coordinates","211332","2020-10-21","18:00:00","" "7204940","10.198","0.001","15.559","0.002","9.296","0.001","99.634","0.006","106.931","0.007","76.581","0.007","1364.6","0.3","293.2","","","","","","","","","","","5","P -1","-P 1","2","","","","- C40 H28 Cl I2 S24 -","- C40 H28 Cl I2 S24 -","- C40 H28 Cl I2 S24 -","1","0.5","","Yamamoto, Hiroshi M.; Maeda, Ryoko; Yamaura, Jun-Ichi; Kato, Reizo","Structural and physical properties of conducting cation radical salts containing supramolecular assemblies based on p-bis(iodoethynyl)benzene derivatives","Journal of Materials Chemistry","2001","11","4","1034","","10.1039/b008170l","","","0.7107","MoKα","","","0.0702","","","","0.0753","","","","","","3.83","","","","has coordinates","211332","2020-10-21","18:00:00","" "7204941","10.193","0.002","15.034","0.003","9.423","0.002","95.75","0.02","106.92","0.02","86.66","0.02","1373.9","0.5","293.2","","","","","","","","","","","5","P -1","-P 1","2","","","","- C40 H28 Br I2 S24 -","- C40 H28 Br I2 S24 -","- C40 H28 Br I2 S24 -","1","0.5","","Yamamoto, Hiroshi M.; Maeda, Ryoko; Yamaura, Jun-Ichi; Kato, Reizo","Structural and physical properties of conducting cation radical salts containing supramolecular assemblies based on p-bis(iodoethynyl)benzene derivatives","Journal of Materials Chemistry","2001","11","4","1034","","10.1039/b008170l","","","0.7107","MoKα","","","0.0797","","","","0.1008","","","","","","2.335","","","","has coordinates","211332","2020-10-21","18:00:00","" "7204942","13.18","0.001","19.128","0.002","12.464","0.0006","105.25","0.004","112.817","0.005","82.455","0.004","2792.9","0.4","293.2","","293.2","","","","","","","","","6","P -1","-P 1","2","","","","- C40 H24 Br F4 I2 S24 -","- C40 H24 Br F4 I2 S24 -","- C80 H48 Br2 F8 I4 S48 -","2","1","","Yamamoto, Hiroshi M.; Maeda, Ryoko; Yamaura, Jun-Ichi; Kato, Reizo","Structural and physical properties of conducting cation radical salts containing supramolecular assemblies based on p-bis(iodoethynyl)benzene derivatives","Journal of Materials Chemistry","2001","11","4","1034","","10.1039/b008170l","","","0.7107","MoKα","","","0.0383","","","0.0421","","","","","2.157","2.157","","","","","has coordinates","211332","2020-10-21","18:00:00","" "7204943","23.072","0.002","14.695","0.001","6.277","0.0003","90","","96.928","0.005","90","","2112.6","0.3","293.2","","293.2","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C32 H24 Cl2 I2 S16 -","- C32 H24 Cl2 I2 S16 -","- C64 H48 Cl4 I4 S32 -","2","0.5","","Yamamoto, Hiroshi M.; Maeda, Ryoko; Yamaura, Jun-Ichi; Kato, Reizo","Structural and physical properties of conducting cation radical salts containing supramolecular assemblies based on p-bis(iodoethynyl)benzene derivatives","Journal of Materials Chemistry","2001","11","4","1034","","10.1039/b008170l","","","0.7107","MoKα","","","0.0463","","","0.0518","","","","","3.537","3.537","","","","","has coordinates","212870","2020-10-21","18:00:00","" "7204944","9.27","0.002","16.083","0.003","19.858","0.004","90","","90","","90","","2960.6","1","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C12 H17 O2 P Se2 -","- C12 H17 O2 P Se2 -","- C96 H136 O16 P8 Se16 -","8","1","","","Conformations of 1,3,6,2-dioxaselenaphosphocanes","Journal of the Chemical Society, Perkin Transactions 2","2001","","12","2374","","10.1039/b008294p","","","0.71073","MoKα","","0.1179","0.0496","","","0.1133","0.1298","","","","","","0.816","","","","has coordinates","202017","2020-10-21","18:00:00","" "7204945","10.2793","0.0008","11.5639","0.0009","7.4822","0.0006","90","","90","","90","","889.4","0.12","293","2","293","2","","","","","","","","6","P n n a","-P 2a 2bc","52","","","","- C4 H4 Co N2 O6 V2 -","- C4 H4 Co N2 O6 V2 -","- C16 H16 Co4 N8 O24 V8 -","4","0.5","","Zheng, Li-Min; Wang, Xiqu; Wang, Yongsheng; Jacobson, Allan J.","Syntheses and characterization of Co2(4,4'-bipy)2(V4O12), Co(pz)(VO3)2 and Co2(2-pzc)(H2O)(VO3)3 (4,4'-bipy = 4,4'-bipyridine, pz = pyrazine, 2-pzc = 2-pyrazinecarboxylate)","Journal of Materials Chemistry","2001","11","4","1100","","10.1039/b009091n","","","0.71073","MoKα","","0.036","0.0273","","0.0626","0.0596","","","","1.058","1.085","1.085","","","","","has coordinates","180380","2020-10-21","18:00:00","" "7204946","8.164","0.002","8.587","0.002","10.162","0.002","87.04","0.03","75.72","0.03","75.02","0.03","666.9","0.3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C10 H8 Co N2 O6 V2 -","- C10 H8 Co N2 O6 V2 -","- C20 H16 Co2 N4 O12 V4 -","2","1","","Zheng, Li-Min; Wang, Xiqu; Wang, Yongsheng; Jacobson, Allan J.","Syntheses and characterization of Co2(4,4'-bipy)2(V4O12), Co(pz)(VO3)2 and Co2(2-pzc)(H2O)(VO3)3 (4,4'-bipy = 4,4'-bipyridine, pz = pyrazine, 2-pzc = 2-pyrazinecarboxylate)","Journal of Materials Chemistry","2001","11","4","1100","","10.1039/b009091n","","","0.71073","MoKα","","0.0401","0.0327","","0.0822","0.0784","","","","1.029","1.049","1.049","","","","","has coordinates","180380","2020-10-21","18:00:00","" "7204947","15.253","0.0012","8.2554","0.0007","10.6784","0.0009","90","","90","","90","","1344.62","0.19","295","2","295","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C5 H5 Co2 N2 O12 V3 -","- C5 H5 Co2 N2 O12 V3 -","- C20 H20 Co8 N8 O48 V12 -","4","1","","Zheng, Li-Min; Wang, Xiqu; Wang, Yongsheng; Jacobson, Allan J.","Syntheses and characterization of Co2(4,4'-bipy)2(V4O12), Co(pz)(VO3)2 and Co2(2-pzc)(H2O)(VO3)3 (4,4'-bipy = 4,4'-bipyridine, pz = pyrazine, 2-pzc = 2-pyrazinecarboxylate)","Journal of Materials Chemistry","2001","11","4","1100","","10.1039/b009091n","","","0.71073","MoKα","","0.0322","0.0265","","0.0597","0.0581","","","","1.04","1.07","1.07","","","","","has coordinates","180380","2020-10-21","18:00:00","" "7204948","10.0083","0.0009","10.14","0.001","10.569","0.002","90","","93.89","0.01","90","","1070.1","0.2","293","","293","","","","","","","","Hydrothermal synthezis","5","P 1 21/a 1","-P 2yab","14","","Lead Vanadium(V) Monophosphate Hydrate","","- H4 O14 P2 Pb2 V2 -","- O14 P2 Pb2 V2 -","- O56 P8 Pb8 V8 -","4","1","","Leclaire, Andre; Chardon, Josiane; Raveau, Bernard","Hydrothermal synthesis and crystal structure of a lead vanadium monophosphate hydrate with an open structure: Pb2V2O4(PO4)2·2H2O","Journal of Materials Chemistry","2001","11","5","1482","","10.1039/b009367j","","","0.71073","xray_tube","","","0.0285","","","","0.0239","","","","","","1.341","","","","has coordinates","176432","2020-10-21","18:00:00","" "7204949","8.6441","0.0005","12.3085","0.0008","13.7443","0.0009","109.514","0.003","94.46","0.003","104.182","0.003","1315.79","0.15","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","1 ?","","- C35 H28 O3 -","- C35 H28 O3 -","- C70 H56 O6 -","2","1","","Caira, Mino R.; Nassimbeni, Luigi R.; Vujovic, Dejana; Weber, Edwin","Guest exchange and competition in inclusion compounds","Journal of the Chemical Society, Perkin Transactions 2","2001","","6","861","","10.1039/b009446n","","","0.7107","MoKα","","0.082","0.0538","","","0.1202","0.1356","","","","","","1.055","","","","has coordinates","180380","2020-10-21","18:00:00","" "7204950","8.5651","0.0003","12.4402","0.0004","13.8939","0.0003","109.148","0.002","93.849","0.002","104.62","0.001","1334.91","0.07","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","2 ?","","- C34 H28 O3 S -","- C34 H22 O3 S -","- C68 H44 O6 S2 -","2","1","","Caira, Mino R.; Nassimbeni, Luigi R.; Vujovic, Dejana; Weber, Edwin","Guest exchange and competition in inclusion compounds","Journal of the Chemical Society, Perkin Transactions 2","2001","","6","861","","10.1039/b009446n","","","0.7107","MoKα","","0.0642","0.0506","","","0.1353","0.1464","","","","","","1.034","","","","has coordinates","180380","2020-10-21","18:00:00","" "7204951","8.5652","0.0002","12.4265","0.0003","13.8868","0.0003","109.155","0.002","93.853","0.003","104.601","0.001","1332.83","0.06","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","3 ?","","- C34.42 H28 O3 S0.58 -","- C34 H22 O3 S -","- C68 H44 O6 S2 -","2","1","","Caira, Mino R.; Nassimbeni, Luigi R.; Vujovic, Dejana; Weber, Edwin","Guest exchange and competition in inclusion compounds","Journal of the Chemical Society, Perkin Transactions 2","2001","","6","861","","10.1039/b009446n","","","0.7107","MoKα","","0.0839","0.0701","","","0.1787","0.1901","","","","","","1.036","","","","has coordinates","180380","2020-10-21","18:00:00","" "7204952","8.348","0.001","9.227","0.001","10.369","0.002","96.095","0.008","96.159","0.008","106.679","0.007","752.77","0.19","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","4 ?","","- C38 H38 O4 -","- C19 H19 O2 -","- C38 H38 O4 -","2","1","","Caira, Mino R.; Nassimbeni, Luigi R.; Vujovic, Dejana; Weber, Edwin","Guest exchange and competition in inclusion compounds","Journal of the Chemical Society, Perkin Transactions 2","2001","","6","861","","10.1039/b009446n","","","0.7107","MoKα","","0.1041","0.0512","","","0.1017","0.1211","","","","","","1.015","","","","has coordinates","180380","2020-10-21","18:00:00","" "7204953","8.5441","0.0002","8.9831","0.0002","9.0836","0.0002","90","","91.2411","0.0015","90","","697.03","0.03","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- H4 Na4 O36 P8 V4 Zn4 -","- Na4 O36 P8 V4 Zn4 -","- Na4 O36 P8 V4 Zn4 -","1","0.25","","Le Fur, E.; Moreno, Y.; Pivan, J. Y.","On the new oxovanadium phosphate NaZnVOPO4(HPO4) obtained at 510 K from hydrothermal treatment","Journal of Materials Chemistry","2001","11","6","1735","","10.1039/b009952j","","","0.71073","MoKalpha","","0.0286","0.0259","","0.0692","0.068","","","","1.228","1.253","1.253","","","","","has coordinates","176453","2020-10-21","18:00:00","" "7204954","9.2994","0.0004","9.751","0.0004","14.3348","0.0006","90","","90.974","0.001","90","","1299.67","0.09","130","2","130","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C6 H27 N4 O21 P5 Zn5 -","- C6 H27 N4 O21 P5 Zn5 -","- C12 H54 N8 O42 P10 Zn10 -","2","1","","Choudhury, Amitava; Neeraj, S.; Natarajan, Srinivasan; Rao, C. N. R.","Transformations of the low-dimensional zinc phosphates to complex open-framework structures. Part 2: one-dimensional ladder to two- and three-dimensional structures","Journal of Materials Chemistry","2001","11","5","1537","","10.1039/b010001n","","","0.71073","MoKα","","0.0306","0.028","","0.0646","0.0636","","","","1.051","1.068","1.068","","","","","has coordinates","180380","2020-10-21","18:00:00","" "7204955","5.1971","0.0006","7.6972","0.0009","17.336","0.002","90","","90.618","0.002","90","","693.45","0.14","130","2","130","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C3 H5 N2 O4 P Zn -","- C3 H5 N2 O4 P Zn -","- C12 H20 N8 O16 P4 Zn4 -","4","1","","Choudhury, Amitava; Neeraj, S.; Natarajan, Srinivasan; Rao, C. N. R.","Transformations of the low-dimensional zinc phosphates to complex open-framework structures. Part 2: one-dimensional ladder to two- and three-dimensional structures","Journal of Materials Chemistry","2001","11","5","1537","","10.1039/b010001n","","","0.71073","MoKα","","0.0524","0.0434","","0.1326","0.1179","","","","1.334","1.256","1.256","","","","","has coordinates","180380","2020-10-21","18:00:00","" "7204956","8.6145","0.0009","9.6187","0.001","17.038","0.002","90","","93.571","0.002","90","","1409","0.3","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C3 H15 N2 O12 P3 Zn2 -","- C4 H20 N2.66667 O16 P4 Zn2.66667 -","- C12 H60 N8 O48 P12 Zn8 -","3","0.75","","Choudhury, Amitava; Neeraj, S.; Natarajan, Srinivasan; Rao, C. N. R.","Transformations of the low-dimensional zinc phosphates to complex open-framework structures. Part 2: one-dimensional ladder to two- and three-dimensional structures","Journal of Materials Chemistry","2001","11","5","1537","","10.1039/b010001n","","","0.71073","MoKα","","0.0833","0.0448","","0.1368","0.1013","","","","1.068","0.961","0.961","","","","","has coordinates","180380","2020-10-21","18:00:00","" "7204957","17.2792","0.0007","5.1929","0.0002","20.1154","0.0006","90","","92.569","0.002","90","","1803.12","0.11","130","2","130","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C H N O P Zn -","- C0.75 H3.5 N0.5 O4 P Zn -","- C12 H56 N8 O64 P16 Zn16 -","16","2","","Choudhury, Amitava; Neeraj, S.; Natarajan, Srinivasan; Rao, C. N. R.","Transformations of the low-dimensional zinc phosphates to complex open-framework structures. Part 2: one-dimensional ladder to two- and three-dimensional structures","Journal of Materials Chemistry","2001","11","5","1537","","10.1039/b010001n","","","0.71073","MoKα","","0.0447","0.0369","","0.1187","0.0928","","","","1.112","0.947","0.947","","","","","has coordinates","180380","2020-10-21","18:00:00","" "7204958","5.2176","0.0002","8.7802","0.0004","16.0811","0.0007","89.34","0.002","83.537","0.001","74.337","0.001","704.7","0.05","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C3 H12 N2 O12 P3 Zn3 -","- C3 H12 N2 O12 P3 Zn3 -","- C6 H24 N4 O24 P6 Zn6 -","2","1","","Choudhury, Amitava; Neeraj, S.; Natarajan, Srinivasan; Rao, C. N. R.","Transformations of the low-dimensional zinc phosphates to complex open-framework structures. Part 2: one-dimensional ladder to two- and three-dimensional structures","Journal of Materials Chemistry","2001","11","5","1537","","10.1039/b010001n","","","0.71073","MoKα","","0.0481","0.0423","","0.1222","0.1061","","","","1.062","0.995","0.995","","","","","has coordinates","180380","2020-10-21","18:00:00","" "7204959","13.6086","0.0004","13.6086","0.0004","15.2777","0.0008","90","","90","","120","","2450.28","0.16","571","2","571","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C2 H0 N0.83 O4 P Zn1.17 -","- C2 N0.833333 O4 P Zn1.16667 -","- C36 N15 O72 P18 Zn21 -","18","1","","Choudhury, Amitava; Neeraj, S.; Natarajan, Srinivasan; Rao, C. N. R.","Transformations of the low-dimensional zinc phosphates to complex open-framework structures. Part 2: one-dimensional ladder to two- and three-dimensional structures","Journal of Materials Chemistry","2001","11","5","1537","","10.1039/b010001n","","","0.71073","MoKα","","0.0512","0.0433","","0.1622","0.1549","","","","1.449","1.44","1.44","","","","","has coordinates","180380","2020-10-21","18:00:00","" "7204960","8.0636","0.0009","8.4566","0.001","9.0234","0.0011","111.941","0.002","107.957","0.002","103.649","0.002","498.09","0.1","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C3 H11 N2 O8 P2 Zn2 -","- C3 H11 N2 O8 P2 Zn2 -","- C6 H22 N4 O16 P4 Zn4 -","2","1","","Choudhury, Amitava; Neeraj, S.; Natarajan, Srinivasan; Rao, C. N. R.","Transformations of the low-dimensional zinc phosphates to complex open-framework structures. Part 2: one-dimensional ladder to two- and three-dimensional structures","Journal of Materials Chemistry","2001","11","5","1537","","10.1039/b010001n","","","0.71073","MoKα","","0.0542","0.0437","","0.1152","0.1094","","","","1.059","1.104","1.104","","","","","has coordinates","180380","2020-10-21","18:00:00","" "7204961","14.772","0.002","8.8271","0.0014","10.107","0.002","90","","131.983","0.002","90","","979.6","0.3","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C H5 N O4 P Zn -","- C H5 N O4 P Zn -","- C8 H40 N8 O32 P8 Zn8 -","8","1","","Choudhury, Amitava; Neeraj, S.; Natarajan, Srinivasan; Rao, C. N. R.","Transformations of the low-dimensional zinc phosphates to complex open-framework structures. Part 2: one-dimensional ladder to two- and three-dimensional structures","Journal of Materials Chemistry","2001","11","5","1537","","10.1039/b010001n","","","0.71073","MoKα","","0.0595","0.0433","","0.1022","0.0961","","","","1.037","1.121","1.121","","","","","has coordinates","180380","2020-10-21","18:00:00","" "7204962","5.1351","0.0007","10.7598","0.0015","10.7714","0.0015","66.541","0.002","89.025","0.002","81.698","0.002","539.7","0.13","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C4 H12 N2 O8 P2 Zn2 -","- C4 H12 N2 O8 P2 Zn2 -","- C8 H24 N4 O16 P4 Zn4 -","2","1","","Choudhury, Amitava; Neeraj, S.; Natarajan, Srinivasan; Rao, C. N. R.","Transformations of the low-dimensional zinc phosphates to complex open-framework structures. Part 2: one-dimensional ladder to two- and three-dimensional structures","Journal of Materials Chemistry","2001","11","5","1537","","10.1039/b010001n","","","0.71073","MoKα","","0.0479","0.0311","","0.0757","0.0697","","","","0.962","1.028","1.028","","","","","has coordinates","180380","2020-10-21","18:00:00","" "7204963","5.222","0.0012","12.756","0.004","15.674","0.006","90","","90","","90","","1044.1","0.6","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C H N O P Zn -","- C1.2 H5.6 N0.8 O3.2 P0.8 Zn0.4 -","- C12 H56 N8 O32 P8 Zn4 -","10","2.5","","Choudhury, Amitava; Neeraj, S.; Natarajan, Srinivasan; Rao, C. N. R.","Transformations of the low-dimensional zinc phosphates to complex open-framework structures. Part 2: one-dimensional ladder to two- and three-dimensional structures","Journal of Materials Chemistry","2001","11","5","1537","","10.1039/b010001n","","","0.71073","MoKα","","0.0268","0.0221","","0.0572","0.0553","","","","1.102","1.085","1.085","","","","","has coordinates","180380","2020-10-21","18:00:00","" "7204964","5.2677","0.0005","13.3025","0.0013","14.7833","0.0014","90","","96.049","0.001","90","","1030.15","0.17","298","2","571","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C3 H13 N2 O8 P2 Zn -","- C3 H13 N2 O8 P2 Zn -","- C12 H52 N8 O32 P8 Zn4 -","4","1","","Choudhury, Amitava; Neeraj, S.; Natarajan, Srinivasan; Rao, C. N. R.","Transformations of the low-dimensional zinc phosphates to complex open-framework structures. Part 2: one-dimensional ladder to two- and three-dimensional structures","Journal of Materials Chemistry","2001","11","5","1537","","10.1039/b010001n","","","0.71073","MoKα","","0.0366","0.029","","0.0916","0.0783","","","","1.127","1.033","1.033","","","","","has coordinates","180380","2020-10-21","18:00:00","" "7204965","18.724","0.004","12.034","0.004","17.318","0.005","90","","96.8","0.02","90","","3874.7","1.9","296.2","","","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C24 H24 N O2 -","- C24 H24 N O2 -","- C192 H192 N8 O16 -","8","1","","Oka, Hiroyuki; Tamura, Tomoki; Miura, Yozo; Teki, Yoshio","Synthesis and characterization of poly(1,3-phenylene)-based polyradicals carrying cyclic aminoxyls","Journal of Materials Chemistry","2001","11","5","1364","","10.1039/b100060h","","","0.7107","MoKα","","","0.0414","","","","0.0368","","","","","","1.641","","","","has coordinates","206958","2020-10-21","18:00:00","" "7204966","16.708","0.002","16.708","0.002","16.708","0.002","90","","90","","90","","4664.2","1","293","2","293","2","","","","","","","","4","I -4 3 m","I -4 2 3","217","","","","- As2 H18 O35 V10 -","- As3 O52.5 V15 -","- As12 O210 V60 -","4","0.0833333","","Zhao, Yongnan; Liu, Qingsheng; Li, Yafeng; Chen, Xiangming; Mai, Zhenhong","Hydrothermal synthesis, structure and catalytic property of a novel open-framework oxovanadium arsenate","Journal of Materials Chemistry","2001","11","6","1553","1554","10.1039/b102336p","","","0.71073","MoKα","","0.1099","0.0569","","0.1392","0.0775","","","","1.133","1.199","1.199","","","","","has coordinates","176453","2020-10-21","18:00:00","" "7204967","9.9182","0.0005","29.591","0.002","10.1562","0.0005","90","","109.443","0.002","90","","2810.8","0.3","296.2","","296.2","","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C32 H27 Cl7 Mn S24 -","- C31 H30.5 Cl5.5 Mn0.5 S24 -","- C62 H61 Cl11 Mn S48 -","2","0.5","","Naito, Toshio; Inabe, Tamotsu; Takeda, Keiji; Awaga, Kunio; Akutagawa, Tomoyuki; Hasegawa, Tatsuo; Nakamura, Takayoshi; Kakiuchi, Toru; Sawa, Hiroshi; Yamamoto, Takashi; Tajima, Hiroyuki","β″-(ET)3(MnCl4)(1,1,2-C2H3Cl3) (ET = bis(ethylenedithio)tetrathiafulvalene); a pressure-sensitive new molecular conductor with localized spins","Journal of Materials Chemistry","2001","11","9","2221","","10.1039/b102786g","","","0.7107","MoKα","","0.0781","0.0781","","0.0891","","0.0891","","","4.39","","","4.39","","","","has coordinates","176453","2020-10-21","18:00:00","" "7204968","10.983","0.005","12.8986","0.0019","13.627","0.007","83.21","0.02","81.05","0.04","82.2","0.02","1880","1.3","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C50 H30 Mo3 O9.5 -","- C50 H30 Mo3 O9.5 -","- C100 H60 Mo6 O19 -","2","1","","Clemente-León, Miguel; Coronado, Eugenio; Giménez-Saiz, Carlos; Gómez-García, Carlos J.; Martínez-Ferrero, Eugenia; Almeida, Manuel; Lopes, Elsa B.","Organic/inorganic molecular conductors based upon perylene and Lindquist-type polyoxometalates","Journal of Materials Chemistry","2001","11","9","2176","","10.1039/b103032a","","","0.71069","MoKα","","0.114","0.035","","","0.0779","0.0935","","","","","","0.984","","","","has coordinates","176453","2020-10-21","18:00:00","" "7204969","10.9272","0.0009","12.7077","0.0011","13.5723","0.0012","82.1386","0.0019","83.3466","0.0018","81.4233","0.0018","1837.3","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C50 H30 O9.5 V0.5 W2.5 -","- C50 H30 O9.5 V0.51 W2.49 -","- C100 H60 O19 V1.02 W4.98 -","2","1","","Clemente-León, Miguel; Coronado, Eugenio; Giménez-Saiz, Carlos; Gómez-García, Carlos J.; Martínez-Ferrero, Eugenia; Almeida, Manuel; Lopes, Elsa B.","Organic/inorganic molecular conductors based upon perylene and Lindquist-type polyoxometalates","Journal of Materials Chemistry","2001","11","9","2176","","10.1039/b103032a","","","0.71069","MoKα","","0.1128","0.0562","","","0.1272","0.1432","","","","","","0.906","","","","has coordinates","176453","2020-10-21","18:00:00","" "7204970","5.371","0.001","10.704","0.002","25.652","0.005","90","","90","","90","","1474.8","0.5","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C13 H22 O6 -","- C13 H22 O6 -","- C52 H88 O24 -","4","1","","Dang, Hai-Shan; Roberts, Brian P.; Tocher†, Derek A.","Selective radical-chain epimerisation at electron-rich chiral tertiary C‒H centres using thiols as protic polarity-reversal catalysts","Journal of the Chemical Society, Perkin Transactions 1","2001","","19","2452","","10.1039/b103558b","","","0.71073","MoKα","","0.0691","0.0483","","0.1468","0.123","","","","1.045","1.052","1.052","","","","","has coordinates","202017","2020-10-21","18:00:00","" "7204971","20.375","0.004","11.151","0.002","16.522","0.004","90","","103.55","0.01","90","","3649.3","1.3","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C22 H16 F N O3 -","- C22 H16 F N O3 -","- C176 H128 F8 N8 O24 -","8","1","","Peng, Weimin; Zhu, Shizheng","Reactions of N-benzyl-pyridinium or -isoquinolinium ylides with ethyl 3-fluoro-3-(fluoroalkyl)acrylates to give fluoroalkyl-substituted indolizine and pyrrolo[2,1-a]isoquinoline derivatives","Journal of the Chemical Society, Perkin Transactions 1","2001","","23","3204","","10.1039/b103586j","","","0.71073","MoKα","","0.2076","0.0652","","","0.1116","0.1502","","","","","","0.959","","","","has coordinates","202017","2020-10-21","18:00:00","" "7204972","12.456","0.002","8.9927","0.0016","13.549","0.002","90","","114.824","0.003","90","","1377.4","0.4","153","2","153","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C14 H20 O5 -","- C14 H20 O5 -","- C56 H80 O20 -","4","1","","Schobert, Rainer; Siegfried, Sven; Weingärtner, Jochen; Nieuwenhuyzen, Mark","Oxidations of 3-alkenyltetronic acids with dimethyldioxirane (DMD) and air: regioselectivity and formation of a spirotricyclic hemiketal endoperoxide lactone","Journal of the Chemical Society, Perkin Transactions 1","2001","","17","2009","","10.1039/b104227k","","","0.71073","MoKα","","0.0601","0.0481","","","0.1288","0.1399","","","","","","1.042","","","","has coordinates","202017","2020-10-21","18:00:00","" "7204973","20.348","0.002","8.8063","0.0009","18.3387","0.0018","90","","121.243","0.002","90","","2809.6","0.5","153","2","153","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C15 H22 O5 -","- C15 H22 O4 -","- C120 H176 O32 -","8","1","","Schobert, Rainer; Siegfried, Sven; Weingärtner, Jochen; Nieuwenhuyzen, Mark","Oxidations of 3-alkenyltetronic acids with dimethyldioxirane (DMD) and air: regioselectivity and formation of a spirotricyclic hemiketal endoperoxide lactone","Journal of the Chemical Society, Perkin Transactions 1","2001","","17","2009","","10.1039/b104227k","","","0.71073","MoKα","","0.0797","0.0514","","","0.1237","0.1442","","","","","","0.845","","","","has coordinates","202017","2020-10-21","18:00:00","" "7204974","9.534","0.001","9.689","0.002","26.056","0.004","90","","90","","90","","2406.9","0.7","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(3S,4R,1'S)-1-Benzyl-3-[1-(benzyloxycarbonylamino)ethyl]-4- (4-methoxyphenyl)-azetidin-2-one","","- C27 H28 N2 O4 -","- C27 H28 N2 O4 -","- C108 H112 N8 O16 -","4","1","","Linder, Michael R.; Frey, Wolfgang U.; Podlech, Joachim","Diazoketones as precursors in β-lactam synthesis. New insights into the mechanism of the photochemically induced Staudinger reaction","Journal of the Chemical Society, Perkin Transactions 1","2001","","20","2566","","10.1039/b105748k","","","0.71073","MoKα","","0.1281","0.0552","","0.1111","0.0847","","","","1.092","1.261","1.261","","","","","has coordinates","202017","2020-10-21","18:00:00","" "7204975","9.498","0.002","9.675","0.002","25.765","0.004","90","","90","","90","","2367.6","0.8","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(3S,4R,1'S)-1-Benzyl-3-[1-(benzyloxycarbonylamino)ethyl]-4- (4-chlorphenyl)-azetidin-2-one","","- C26 H25 Cl N2 O3 -","- C26 H25 Cl N2 O3 -","- C104 H100 Cl4 N8 O12 -","4","1","","Linder, Michael R.; Frey, Wolfgang U.; Podlech, Joachim","Diazoketones as precursors in β-lactam synthesis. New insights into the mechanism of the photochemically induced Staudinger reaction","Journal of the Chemical Society, Perkin Transactions 1","2001","","20","2566","","10.1039/b105748k","","","0.71073","MoKα","","0.1591","0.0598","","0.1475","0.1069","","","","1.036","1.262","1.262","","","","","has coordinates","202017","2020-10-21","18:00:00","" "7204976","9.312","0.002","9.733","0.002","26.55","0.006","90","","90","","90","","2406.3","0.9","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(3S,4R,1'S)-1-Benzyl-3-[1-(benzyloxycarbonylamino)ethyl]-4- (4-nitrophenyl)-azetidin-2-one","","- C26 H25 N3 O5 -","- C26 H25 N3 O5 -","- C104 H100 N12 O20 -","4","1","","Linder, Michael R.; Frey, Wolfgang U.; Podlech, Joachim","Diazoketones as precursors in β-lactam synthesis. New insights into the mechanism of the photochemically induced Staudinger reaction","Journal of the Chemical Society, Perkin Transactions 1","2001","","20","2566","","10.1039/b105748k","","","0.71073","MoKα","","0.1101","0.0545","","0.1412","0.106","","","","1.037","1.155","1.155","","","","","has coordinates","202017","2020-10-21","18:00:00","" "7204977","9.626","0.001","9.626","0.001","47.354","0.011","90","","90","","90","","4387.8","1.2","293","2","293","2","","","","","","","","4","P 41","P 4w","76","","(3R,4S,1'S)-1-Benzyl-3-(1-benzyloxycarbonylamino)ethyl]-4-(2-furyl)- azetidin-2-one","","- C24 H24 N2 O4 -","- C24 H24 N2 O4 -","- C192 H192 N16 O32 -","8","2","","Linder, Michael R.; Frey, Wolfgang U.; Podlech, Joachim","Diazoketones as precursors in β-lactam synthesis. New insights into the mechanism of the photochemically induced Staudinger reaction","Journal of the Chemical Society, Perkin Transactions 1","2001","","20","2566","","10.1039/b105748k","","","0.71073","MoKα","","0.093","0.0535","","0.1032","0.0859","","","","1.107","1.213","1.213","","","","","has coordinates","180380","2020-10-21","18:00:00","" "7204978","6.055","0.001","17.352","0.003","20.987","0.003","90","","90","","90","","2205","0.6","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(3R,4S,1'S)-1-Benzyl-3-[1-(benzyloxycarbonylamino)ethyl]-4- (3-thienyl)-azetidin-2-one","","- C24 H24 N2 O3 S -","- C24 H24 N2 O3 S -","- C96 H96 N8 O12 S4 -","4","1","","Linder, Michael R.; Frey, Wolfgang U.; Podlech, Joachim","Diazoketones as precursors in β-lactam synthesis. New insights into the mechanism of the photochemically induced Staudinger reaction","Journal of the Chemical Society, Perkin Transactions 1","2001","","20","2566","","10.1039/b105748k","","","0.71073","MoKα","","0.0978","0.052","","0.1282","0.1001","","","","1.097","1.19","1.19","","","","","has coordinates,has disorder","180380","2020-10-21","18:00:00","" "7204979","9.742","0.002","15.886","0.003","32.683","0.005","90","","90","","90","","5058.1","1.6","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(3R,4S,1'S)-3-[1-(Benzyloxycarbonylamino)ethyl]-1-tert-butyl-4- mesityl-azetidin-2-one","","- C26 H34 N2 O3 -","- C26 H34 N2 O3 -","- C208 H272 N16 O24 -","8","2","","Linder, Michael R.; Frey, Wolfgang U.; Podlech, Joachim","Diazoketones as precursors in β-lactam synthesis. New insights into the mechanism of the photochemically induced Staudinger reaction","Journal of the Chemical Society, Perkin Transactions 1","2001","","20","2566","","10.1039/b105748k","","","0.71073","MoKα","","0.1786","0.097","","0.2476","0.1879","","","","1.15","1.338","1.338","","","","","has coordinates","180380","2020-10-21","18:00:00","" "7204980","10.158","0.002","9.524","0.002","12.5834","0.0015","90","","97.301","0.012","90","","1207.5","0.4","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","(E,3S,4S,1'S)-1-Allyl-3-[1-(benzyloxycarbonylamino)-2-methylpropyl]- 4-(2-phenylethenyl)-azetidin-2-one","","- C26 H30 N2 O3 -","- C26 H30 N2 O3 -","- C52 H60 N4 O6 -","2","1","","Linder, Michael R.; Frey, Wolfgang U.; Podlech, Joachim","Diazoketones as precursors in β-lactam synthesis. New insights into the mechanism of the photochemically induced Staudinger reaction","Journal of the Chemical Society, Perkin Transactions 1","2001","","20","2566","","10.1039/b105748k","","","0.71073","MoKα","","0.0575","0.0437","","0.1285","0.1119","","","","1.074","1.113","1.113","","","","","has coordinates","202017","2020-10-21","18:00:00","" "7204981","12.3571","0.0006","9.1315","0.0009","19.0056","0.0008","90","","94.281","0.004","90","","2138.6","0.3","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","(3R,4R,1'S)-4-Acetoxy-1-benzyl-3-[1-(benzyloxycarbonylamino)ethyl]- azetidin-2-one","","- C22 H24 N2 O5 -","- C22 H24 N2 O5 -","- C88 H96 N8 O20 -","4","2","","Linder, Michael R.; Frey, Wolfgang U.; Podlech, Joachim","Diazoketones as precursors in β-lactam synthesis. New insights into the mechanism of the photochemically induced Staudinger reaction","Journal of the Chemical Society, Perkin Transactions 1","2001","","20","2566","","10.1039/b105748k","","","1.54178","CuKα","","0.0795","0.058","","0.1908","0.1553","","","","1.099","1.127","1.127","","","","","has coordinates","180380","2020-10-21","18:00:00","" "7204982","15.917","0.002","9.1897","0.001","20.868","0.003","90","","90","","90","","3052.4","0.7","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","N-Benzyl-2,4,6-trimethoxybenzaldimine","","- C17 H19 N O3 -","- C17 H19 N O3 -","- C136 H152 N8 O24 -","8","1","","Linder, Michael R.; Frey, Wolfgang U.; Podlech, Joachim","Diazoketones as precursors in β-lactam synthesis. New insights into the mechanism of the photochemically induced Staudinger reaction","Journal of the Chemical Society, Perkin Transactions 1","2001","","20","2566","","10.1039/b105748k","","","0.71073","MoKα","","0.1065","0.062","","0.1406","0.1165","","","","1.077","1.185","1.185","","","","","has coordinates","202017","2020-10-21","18:00:00","" "7204983","9.2101","0.0005","20.7429","0.001","11.5524","0.0006","90","","90.117","0.005","90","","2207","0.2","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","(3S,4R,1'S)-1-Benzyl-3-[1-(benzyloxycarbonylamino)ethyl]-4-(2-thienyl)- azetidin-2-one","","- C24 H24 N2 O3 S -","- C24 H24 N2 O3 S -","- C96 H96 N8 O12 S4 -","4","2","","Linder, Michael R.; Frey, Wolfgang U.; Podlech, Joachim","Diazoketones as precursors in β-lactam synthesis. New insights into the mechanism of the photochemically induced Staudinger reaction","Journal of the Chemical Society, Perkin Transactions 1","2001","","20","2566","","10.1039/b105748k","","","1.54178","CuKα","","0.0944","0.079","","0.2715","0.2244","","","","1.169","1.206","1.206","","","","","has coordinates,has disorder","180380","2020-10-21","18:00:00","" "7209301","4.9041","","7.71","","8.344","","90","","90","","90","","315.492","","","","","","","","","","","","","3","I m m a","-I 2b 2","74","","Eu Ag Cd","","- Ag Cd Eu -","- Ag Cd Eu -","- Ag4 Cd4 Eu4 -","4","0.25","","Hoffmann, R.D.; Fickenscher, T.; Poettgen, R.; Kotzyba, G.","Synthesis, Structure, and Magnetic Properties of EuAgCd and YbAgCd","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-)","2001","56","","598","603","","","","","","","","","","","","","","","","","","","","","","has coordinates","176453","2020-10-21","18:00:00","" "7209302","5.8466","","5.8466","","9.4683","","90","","90","","120","","280.291","","","","","","","","","","","","","3","P 63/m m c","-P 6c 2c","194","","Yb Ag Cd","","- Ag Cd Yb -","- Ag Cd Yb -","- Ag4 Cd4 Yb4 -","4","0.166667","","Fickenscher, T.; Kotzyba, G.; Hoffmann, R.D.; Poettgen, R.","Synthesis, structure, and magnetic properties of Eu Ag Cd and Yb Ag Cd","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-)","2001","56","","598","603","","","","","","","","","","","","","","","","","","","","","","has coordinates","176453","2020-10-21","18:00:00","" "7209380","4.727","","4.727","","7.716","","90","","90","","120","","149.312","","","","","","","","","","","","","3","P 63 m c","P 6c -2c","186","","Ce Au Sn","","- Au Ce Sn -","- Au Ce Sn -","- Au2 Ce2 Sn2 -","2","0.166667","","Poduska, K.M.; DiSalvo, F.J.; Mosel, B.D.; Trill, H.; Niepmann, D.; Poettgen, R.","Structure and Properties of the Stannides CeAuSn, Ce3Rh4Sn13, and Ce3Ir4Sn13","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-)","2001","56","","1","8","","","","","","","","","","","","","","","","","","","","","","has coordinates","176453","2020-10-21","18:00:00","" "7209389","11.099","","7.2421","","9.411","","90","","118.351","","90","","665.724","","","","","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","K (Au (S O4)2)","","- Au K O8 S2 -","- Au K O8 S2 -","- Au4 K4 O32 S8 -","4","0.5","","Buechner, O.; Wickleder, M.S.","The gold sulfates M Au (S O4)2 (M = Na, K, Rb)","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-)","2001","56","","1340","1343","","","","","","","","","","","","","","","","","","","","","","has coordinates","176453","2020-10-21","18:00:00","" "7209393","4.6907","","8.4591","","8.312","","90","","95.69","","90","","328.188","","","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Na (Au (S O4)2)","","- Au Na O8 S2 -","- Au Na O8 S2 -","- Au2 Na2 O16 S4 -","2","0.5","","Buechner, O.; Wickleder, M.S.","The gold sulfates M Au (S O4)2 (M = Na, K, Rb)","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-)","2001","56","","1340","1343","","","","","","","","","","","","","","","","","","","","","","has coordinates","176432","2020-10-21","18:00:00","" "7209395","4.2361","","4.9752","","8.89","","76.36","","88.44","","73.53","","174.448","","","","","","","","","","","","","4","P -1","-P 1","2","","Rb (Au (S O4)2)","","- Au O8 Rb S2 -","- Au O8 Rb S2 -","- Au O8 Rb S2 -","1","0.5","","Buechner, O.; Wickleder, M.S.","The gold sulfates M Au (S O4)2 (M = Na, K, Rb)","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-)","2001","56","","1340","1343","","","","","","","","","","","","","","","","","","","","","","has coordinates","176453","2020-10-21","18:00:00","" "7209462","9.8552","","8.4007","","4.4138","","90","","90","","90","","365.421","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","Cr3 (B O6)","","- B Cr3 O6 -","- B Cr3 O6 -","- B4 Cr12 O24 -","4","0.5","","Nazar, L.F.; Rowsell, J.L.C.","Synthesis, structure, and solid-state electrochemical properties of Ce3 B O6: a new chromium(III) borate with the norbergite structure","Journal of Materials Chemistry","2001","11","","3228","3233","10.1039/b100707f","","","","","","","","","","","","","","","","","","","","","has coordinates","176453","2020-10-21","18:00:00","" "7209473","4.921","","4.921","","16.305","","90","","90","","120","","341.947","","","","","","","","","","","","","3","R -3 c :H","-R 3 2""c","167","","Yb (B O3)","","- B O3 Yb -","- B O3 Yb -","- B6 O18 Yb6 -","6","0.166667","","Huppertz, H.","Multianvil pressure synthesis and crystal structure of beta-(Yb B O3)","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-)","2001","56","","697","703","","","","","","","","","","","","","","","","","","","","","","has coordinates","176453","2020-10-21","18:00:00","" "7213364","5.845","0.005","17.134","0.004","7.935","0.007","90","","107.54","0.06","90","","757.7","1","170","","170","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C18 H16 O4 -","- C18 H16 O4 -","- C36 H32 O8 -","2","0.5","","Yadav, Veejendra K.; Balamurugan, Rengarajan; Parvez, Masood; Yamdagni, Raghav","The thionophosphate‒thiolophosphate † photoisomerization proceeds predominantly through a non-chain radical pathway. Synthetically viable benzylation of tetrahydrofuran, propan-2-ol and olefins ‡","Journal of the Chemical Society, Perkin Transactions 1","2001","","3","323","","10.1039/b003501g","","","0.7107","MoKα","","0.0759","0.0759","","0.0507","0.0507","","","","3.334","3.334","3.334","","","","","has coordinates","176453","2020-10-21","18:00:00","" "7213414","10.074","0.001","8.357","0.0009","13.991","0.002","90","","108.46","0.01","90","","1117.3","0.2","293","","293","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C6 H15 O5 P S -","- C6 H15 O5 P S -","- C24 H60 O20 P4 S4 -","4","1","","Olivato, Paulo R.; Filho, Rubens Ruiz; Zukerman-Schpector, Julio; Dal Colle, Maurizio; Distefano, Giuseppe","Comparative spectroscopic and theoretical studies on the conformation of some α-diethoxyphosphoryl carbonyl compounds and their α-ethylsulfonyl analogues 1","Journal of the Chemical Society, Perkin Transactions 2","2001","","1","97","","10.1039/b005501h","","","0.71073","MoKα","","0.0699","0.0453","","","0.1197","0.1349","","","","","","1.048","","","","has coordinates","180465","2020-10-21","18:00:00","" "7213415","23.443","0.004","7.0872","0.0012","14.896","0.006","90","","108.61","0.02","90","","2345.5","1.1","293","2","293","2","","","","","","","","5","C 1 2 1","C 2y","5","","Cephradine/8-hydroxy quinoline complex","","- C41 H58 N7 O15.5 S2 -","- C41 H45 N7 O15.5 S2 -","- C82 H90 N14 O31 S4 -","2","0.5","","Kemperman, Gerardus J.; de Gelder, René; Dommerholt, Frederik J.; Raemakers-Franken, Petronella C.; Klunder, Antonius J. H.; Zwanenburg, Binne","Efficiency of cephalosporin complexation with aromatic compounds","Journal of the Chemical Society, Perkin Transactions 2","2001","","4","633","","10.1039/b005503o","","","0.71073","MoKα","","0.0768","0.0542","","0.1511","0.1373","0.1511","","","1.077","","","1.077","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00","" "7213428","7.984","0.001","21.589","0.004","8.731","0.001","90","","90.35","0.01","90","","1504.9","0.4","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2-Dimethylamino-4,6-Bis(2-hydroxyphenyl)-1,3,5-Triazine","","- C17 H16 N4 O2 -","- C17 H16 N4 O2 -","- C68 H64 N16 O8 -","4","1","","Fischer, Peter; Fettig, Achim; Frey, Wolfgang U.; Henkel, Sonja; Hoier, Helga; Kramer, Horst E. A.; Roessler, Manfred; Birbaum, Jean-Luc","A coupled dual hydrogen bridge system—solution dynamics and crystal structure of 2-dimethylamino-4,6-bis(2-hydroxyphenyl)-1,3,5-triazine †","Journal of the Chemical Society, Perkin Transactions 2","2001","","1","90","","10.1039/b005956k","","","0.71073","MoKα","","0.1053","0.0816","","0.2813","0.2326","","","","1.076","1.137","1.137","","","","","has coordinates","180465","2020-10-21","18:00:00","" "7213429","9.667","0.003","14.06","0.002","17.366","0.003","90","","105.9","0.02","90","","2270","0.9","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H22 Cl2 N4 O -","- C22 H22 Cl2 N4 O -","- C88 H88 Cl8 N16 O4 -","4","1","","Cheng, Ying; Jiao, Peng; Williams, David J.; Cohn, Otto-Meth","Unexpected products from the formylation of N,N-dimethylanilines with 2-formamidopyridine in POCl3","Journal of the Chemical Society, Perkin Transactions 1","2001","","1","44","","10.1039/b006148o","","","1.54178","CuKα","","0.0743","0.0579","","0.1738","0.1508","","","","1.051","1.096","1.096","","","","","has coordinates","180465","2020-10-21","18:00:00","" "7213434","47.033","0.002","11.218","0.0007","10.557","0.0005","90","","92.501","0.004","90","","5564.7","0.5","220","2","220","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C13 H18 N3 O1.5 S -","- C13 H18 N3 O1.5 S -","- C208 H288 N48 O24 S16 -","16","2","","Hawksley, Daniel; Griffin, David A.; Leeper, Finian J.","Synthesis of 3-deazathiamine","Journal of the Chemical Society, Perkin Transactions 1","2001","","2","144","","10.1039/b006962k","","","0.7107","MoKα","","0.1063","0.0851","","","0.2214","0.2368","","","","","","1.059","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00","" "7213435","10.628","0.005","11.108","0.003","11.442","0.005","71.62","0.03","74.82","0.04","85","0.03","1237.1","0.9","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C24 H28 N4 O7 -","- C24 H28 N4 O7 -","- C48 H56 N8 O14 -","2","1","","Heaney, Frances; Burke, Cathriona; Cunningham, Desmond; McArdle, Patrick","Pyrimidine annelated heterocycles - synthesis and cycloaddition of the first pyrimido[1,4]diazepine N-oxides","Journal of the Chemical Society, Perkin Transactions 1","2001","","6","622","","10.1039/b007163n","","","0.71069","MoKα","","0.1506","0.0836","","","0.219","0.2502","","","","","","0.957","","","","has coordinates","180465","2020-10-21","18:00:00","" "7213438","10.615","0.001","14.277","0.001","7.838","0.001","90","","90","","90","","1187.9","0.2","297.2","","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C11 H12 Cl N O4 -","- C11 H12 Cl N O4 -","- C44 H48 Cl4 N4 O16 -","4","1","","Shi, Min; Jiang, Jian-Kang; Cui, Shi-Cong; Feng, Yan-Shu","Titanium(IV) chloride, zirconium(IV) chloride or boron trichloride and phosphine-promoted Baylis‒Hillman reaction of aldehydes with α,β-unsaturated ketone","Journal of the Chemical Society, Perkin Transactions 1","2001","","4","390","","10.1039/b008105l","","","0.7107","MoKα","","","0.0331","","","","0.0515","","","","","","1.128","","","","has coordinates","176453","2020-10-21","18:00:00","" "7213439","10.023","0.002","11.832","0.002","10.575","0.002","90","","108.29","0.01","90","","1190.8","0.4","293","","193.2","","","","","","","","?","5","P 1 21 1","P 2yb","4","","","","- C21 H34 Br N O4 -","- C21 H34 Br N O4 -","- C42 H68 Br2 N2 O8 -","2","1","","Banwell, Martin G.; Ebenbeck, Wolfgang; Edwards, Alison J.","Ring-fused gem-dibromocyclopropanes as precursors to enantiomerically pure D- and L-series 3-deoxy- and 2-amino-2,3-dideoxyaldohexose derivatives","Journal of the Chemical Society, Perkin Transactions 1","2001","","2","114","","10.1039/b008146i","","","1.5418","CuKα","","","0.036","","","","0.0421","","","","","","1.091","","","","has coordinates","176453","2020-10-21","18:00:00","" "7213440","8.3738","0.0017","8.5966","0.0017","10.291","0.002","67.4","0.03","75.08","0.03","67.33","0.03","625.9","0.3","293","2","293","2","","","","","","","","3","P 1","P 1","1","rosnecatrol tetraacetate","","","- C23 H30 O9 -","- C23 H30 O9 -","- C23 H30 O9 -","1","1","","Edwards, Raymond L.; Maitland, Derek J.; Scowen, Ian J.; De Sousa, Antonio J. T.; Whalley, Anthony J. S.","Metabolites of the higher fungi. Part 32. Rosnecatrone, a phytotoxic bicyclo[4.1.0]hept-3-en-2-one from the fungus Rosellinia necatrix Prill","Journal of the Chemical Society, Perkin Transactions 1","2001","","5","537","","10.1039/b008195g","","","1.54178","CuKα","","0.0372","0.0347","","","0.0911","0.0979","","","","","","1.106","","","","has coordinates","180465","2020-10-21","18:00:00","" "7213441","10.291","0.002","11.607","0.003","12.988","0.003","90","","105.42","","90","","1495.5","0.6","103","2","103","2","","","","","","","","3","C 1 c 1","C -2yc","9","","5-(8'-Methoxynaphthyl-1'-methylidene)-1,3-dioxan-4,6-dione","","- C18 H16 O5 -","- C18 H16 O5 -","- C72 H64 O20 -","4","1","","O’Leary, Jane; Bell, Paul C.; Wallis, John D.; Schweizer, W. Bernd","Attractive and repulsive effects in the interactions between electron-rich and electron-deficient groups in peri-substituted naphthalenes","Journal of the Chemical Society, Perkin Transactions 2","2001","","2","133","","10.1039/b008226k","","","1.5418","CuKα","","0.0274","0.0263","","","0.078","0.0806","","","","","","0.819","","","","has coordinates","180465","2020-10-21","18:00:00","" "7213442","6.5046","0.0003","17.5411","0.0007","10.3306","0.0003","90","","99.499","0.002","90","","1162.54","0.08","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1,1-dicyano-2-(8'-methoxynaphth-1'-yl)ethene","","- C15 H10 N2 O -","- C15 H10 N2 O -","- C60 H40 N8 O4 -","4","1","","O’Leary, Jane; Bell, Paul C.; Wallis, John D.; Schweizer, W. Bernd","Attractive and repulsive effects in the interactions between electron-rich and electron-deficient groups in peri-substituted naphthalenes","Journal of the Chemical Society, Perkin Transactions 2","2001","","2","133","","10.1039/b008226k","","","0.71069","MoKα","","0.0606","0.044","","0.1248","0.1135","","","","1.058","1.114","1.114","","","","","has coordinates","180465","2020-10-21","18:00:00","" "7213443","18.759","0.002","18.759","0.002","12.252","0.0016","90","","90","","120","","3733.9","0.7","213","2","213","2","","","","","","","","3","R 3 :H","R 3","146","","","","- C19 H22 O2 -","- C19 H22 O2 -","- C171 H198 O18 -","9","1","","Bickley, Jamie F.; Gillmore, Adam T.; Roberts, Stanley M.; Skidmore, John; Steiner, Alexander","Synthesis and reactions of some optically active epoxides formally derived from tertiary allylic alcohols","Journal of the Chemical Society, Perkin Transactions 1","2001","","9","1109","","10.1039/b008275i","","","0.71073","MoKα","","0.0364","0.0336","","","0.0796","0.0806","","","","","","1.037","","","","has coordinates","180465","2020-10-21","18:00:00","" "7213444","11.362","0.001","4.873","0.0005","13.98","0.0008","90","","100.937","0.006","90","","759.97","0.11","180","2","180","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C18 H20 O3 -","- C18 H20 O3 -","- C36 H40 O6 -","2","1","","Boesen, Thomas; Feeder, Neil; Eastgate, Martin D.; Fox, David J.; Medlock, Jonathan A.; Tyzack, Charles R.; Warren, Stuart","The chemistry of lithiated phosphine oxides: the stereoselective synthesis of alkene-4,5-diols","Journal of the Chemical Society, Perkin Transactions 1","2001","","2","118","","10.1039/b008500f","","","0.7107","MoKα","","0.0551","0.0425","","0.1003","0.0932","","","","1.058","1.073","1.073","","","","","has coordinates","180465","2020-10-21","18:00:00","" "7213445","5.8214","0.0008","10.7769","0.0019","17.258","0.003","76.083","0.014","82.12","0.012","89.6","0.013","1040.6","0.3","100","2","100","2","","","","","","","","3","P -1","-P 1","2","tetra(t-butylbenzo)-24-crown-8","","","- C48 H64 O8 -","- C48 H64 O8 -","- C48 H64 O8 -","1","0.5","","Levitskaia, Tatiana G.; Sachleben, Richard A.; Bryan, Jeffrey C.; Moyer, Bruce A.","Synthesis, structure, and extraction behavior of 4,5′,4″,5‴-tetra-tert-butyltetrabenzo-24-crown-8 †‡","Journal of the Chemical Society, Perkin Transactions 2","2001","","5","808","","10.1039/b008603g","","","0.71073","MoKα","","0.068","0.047","","","0.126","0.137","","","","","","1.03","","","","has coordinates","180465","2020-10-21","18:00:00","" "7213446","13.449","0.009","13.597","0.003","16.399","0.009","90","","90","","90","","2999","3","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","4-Bis(trimethylsilyl)methyl-1,4-dihydro-1,3,5-triazine","","- C10 H23 N3 Si2 -","- C10 H23 N3 Si2 -","- C80 H184 N24 Si16 -","8","2","","Boesveld, W. Marco; Hitchcock, Peter B.; Lappert, Michael F.","Substituted triazines and pyrimidines from 1,3,5-triazine and a lithium amidinate, alkyl- or 1-azaallyl","Journal of the Chemical Society, Perkin Transactions 1","2001","","9","1103","","10.1039/b008681i","","","0.71073","MoKα","","0.0691","0.0474","","0.1144","0.1033","","","","1.031","1.051","1.051","","","","","has coordinates","180465","2020-10-21","18:00:00","" "7213447","7.5318","0.0002","13.3032","0.0005","25.6712","0.0005","90","","90","","90","","2572.18","0.13","193","2","193","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C30 H36 N2 Si -","- C30 H36 N2 Si -","- C120 H144 N8 Si4 -","4","1","","von Keyserlingk, Nikolai Graf; Martens, Jürgen; Ostendorf, Detlev; Saak, Wolfgang; Weidenbruch, Manfred","Utilization of industrial waste materials. Part 20. Stereoselective cycloaddition of silylenes and a disilene to an enantiomerically pure cyclic ketimine derived from an industrial waste material","Journal of the Chemical Society, Perkin Transactions 1","2001","","7","706","","10.1039/b008708o","","","0.71073","MoKα","","0.0455","0.0414","","","0.1121","0.1161","","","","","","1.056","","","","has coordinates","180465","2020-10-21","18:00:00","" "7213448","26.2381","0.0015","9.292","0.0003","16.1808","0.001","90","","105.905","0.007","90","","3793.9","0.4","193","2","193","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C36 H66 N2 Si3 -","- C36 H66 N2 Si3 -","- C144 H264 N8 Si12 -","4","1","","von Keyserlingk, Nikolai Graf; Martens, Jürgen; Ostendorf, Detlev; Saak, Wolfgang; Weidenbruch, Manfred","Utilization of industrial waste materials. Part 20. Stereoselective cycloaddition of silylenes and a disilene to an enantiomerically pure cyclic ketimine derived from an industrial waste material","Journal of the Chemical Society, Perkin Transactions 1","2001","","7","706","","10.1039/b008708o","","","0.71073","MoKα","","0.0497","0.0375","","","0.0818","0.0854","","","","","","0.937","","","","has coordinates","180465","2020-10-21","18:00:00","" "7213449","9.7011","0.0005","11.704","0.0008","14.5936","0.001","96.862","0.008","100.249","0.007","100.163","0.007","1585.37","0.19","193","2","193","2","","","","","","","","4","P 1","P 1","1","","","","- C36 H48 N2 Si -","- C36 H48 N2 Si -","- C72 H96 N4 Si2 -","2","2","","von Keyserlingk, Nikolai Graf; Martens, Jürgen; Ostendorf, Detlev; Saak, Wolfgang; Weidenbruch, Manfred","Utilization of industrial waste materials. Part 20. Stereoselective cycloaddition of silylenes and a disilene to an enantiomerically pure cyclic ketimine derived from an industrial waste material","Journal of the Chemical Society, Perkin Transactions 1","2001","","7","706","","10.1039/b008708o","","","0.71073","MoKα","","0.1156","0.0486","","","0.0874","0.1025","","","","","","0.792","","","","has coordinates","180465","2020-10-21","18:00:00","" "7213450","14.053","0.003","13.639","0.004","15.49","0.003","90","","94","0.02","90","","2961.7","1.2","295","2","295","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C36 H42 O2 -","- C36 H42 O2 -","- C144 H168 O8 -","4","1","","Cross, Wendy; Hawkes, Geoffrey E.; Kroemer, Romano T.; Liedl, Klaus R.; Loerting, Thomas; Nasser, Rima; Pritchard, Robin G.; Steele, Melanie; Watkinson, Michael; Whiting, Andrew","The structure, modelling and dynamics of hindered 5,6-diarylacenaphthenes","Journal of the Chemical Society, Perkin Transactions 2","2001","","4","459","","10.1039/b008788m","","","1.54178","CuKα","","0.1401","0.0474","","","0.1228","0.1676","","","","","","1.025","","","","has coordinates","180465","2020-10-21","18:00:00","" "7213451","10.547","0.002","11.975","0.002","9.011","0.003","111.51","0.02","92.85","0.02","88.69","0.02","1057.5","0.5","295","2","295","2","","","","","","","","3","P -1","-P 1","2","","","","- C28 H26 O2 -","- C28 H26 O2 -","- C56 H52 O4 -","2","1","","Cross, Wendy; Hawkes, Geoffrey E.; Kroemer, Romano T.; Liedl, Klaus R.; Loerting, Thomas; Nasser, Rima; Pritchard, Robin G.; Steele, Melanie; Watkinson, Michael; Whiting, Andrew","The structure, modelling and dynamics of hindered 5,6-diarylacenaphthenes","Journal of the Chemical Society, Perkin Transactions 2","2001","","4","459","","10.1039/b008788m","","","1.54178","CuKα","","0.12","0.0759","","","0.2216","0.2586","","","","","","1.005","","","","has coordinates","180465","2020-10-21","18:00:00","" "7213452","15.426","0.011","12.426","0.01","15.224","0.01","90","","108.59","0.06","90","","2766","4","293","2","293","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C17 H19 O -","- C17 H19 O -","- C136 H152 O8 -","8","1","","Cross, Wendy; Hawkes, Geoffrey E.; Kroemer, Romano T.; Liedl, Klaus R.; Loerting, Thomas; Nasser, Rima; Pritchard, Robin G.; Steele, Melanie; Watkinson, Michael; Whiting, Andrew","The structure, modelling and dynamics of hindered 5,6-diarylacenaphthenes","Journal of the Chemical Society, Perkin Transactions 2","2001","","4","459","","10.1039/b008788m","","","0.71069","MoKα","","0.1403","0.0522","","","0.1235","0.1627","","","","","","0.985","","","","has coordinates","180465","2020-10-21","18:00:00","" "7213453","7.0658","0.0001","8.643","0.0001","14.8612","0.0003","90","","101.874","0.001","90","","888.15","0.02","123","2","123","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Hexamethylbenzene Chloranil Molecular Complex","","- C18 H18 Cl4 O2 -","- C18 H18 Cl4 O2 -","- C36 H36 Cl8 O4 -","2","0.5","","Maguères, Pierre Le; Lindeman, Sergey V.; Kochi, Jay K.","Direct relationship between intermolecular charge-transfer and charge-resonance complexes via structural changes in the arene donor with various π-acceptors","Journal of the Chemical Society, Perkin Transactions 2","2001","","7","1180","","10.1039/b009543p","","","0.71073","MoKα","","0.0529","0.0368","","0.1039","0.0883","","","","1.039","1.055","1.055","","","","","has coordinates","180465","2020-10-21","18:00:00","" "7213454","16.137","0.002","7.232","0.001","17.68","0.002","90","","95.526","0.003","90","","2053.7","0.4","93","2","93","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","Octamethylbiphenylene/Tetracyanoethylene molecular complex 1:1","","- C26 H24 N4 -","- C26 H24 N4 -","- C104 H96 N16 -","4","1","","Maguères, Pierre Le; Lindeman, Sergey V.; Kochi, Jay K.","Direct relationship between intermolecular charge-transfer and charge-resonance complexes via structural changes in the arene donor with various π-acceptors","Journal of the Chemical Society, Perkin Transactions 2","2001","","7","1180","","10.1039/b009543p","","","0.71073","MoKα","","0.0736","0.0426","","0.1234","0.1019","","","","0.917","1.07","1.07","","","","","has coordinates","180465","2020-10-21","18:00:00","" "7213455","15.1081","0.0008","9.6152","0.0006","17.0229","0.0008","90","","95.98","0.002","90","","2459.4","0.2","93","2","93","2","","","","","","","chemical synthesis","3","P 1 21/c 1","-P 2ybc","14","","Octamethylbiphenylene/7,7,8,8-Tetracyanoquinodimethane molecular complex 1:1","","- C32 H28 N4 -","- C32 H28 N4 -","- C128 H112 N16 -","4","1","","Maguères, Pierre Le; Lindeman, Sergey V.; Kochi, Jay K.","Direct relationship between intermolecular charge-transfer and charge-resonance complexes via structural changes in the arene donor with various π-acceptors","Journal of the Chemical Society, Perkin Transactions 2","2001","","7","1180","","10.1039/b009543p","","","0.71073","MoKα","","0.0839","0.0455","","0.1329","0.1109","","","","0.932","1.053","1.053","","","","","has coordinates","180465","2020-10-21","18:00:00","" "7213456","12.4774","0.0001","12.663","0.0001","14.3832","0.0002","74.421","0.001","77.326","0.001","86.717","0.001","2135.73","0.04","123","2","123","2","","","","","","","chemical synthesis","4","P -1","-P 1","2","","Octamethylbiphenylene(0)/Octamethylbiphenylene(+1) hexachloroantimonate molecular complex, toluene monosolvate","","- C47 H56 Cl6 Sb -","- C47 H56 Cl6 Sb -","- C94 H112 Cl12 Sb2 -","2","1","","Maguères, Pierre Le; Lindeman, Sergey V.; Kochi, Jay K.","Direct relationship between intermolecular charge-transfer and charge-resonance complexes via structural changes in the arene donor with various π-acceptors","Journal of the Chemical Society, Perkin Transactions 2","2001","","7","1180","","10.1039/b009543p","","","0.71073","MoKα","","0.154","0.0724","","0.197","0.1561","","","","0.971","1.103","1.103","","","","","has coordinates","180465","2020-10-21","18:00:00","" "7213457","8.6059","0.0001","11.739","0.0002","13.2313","0.0001","115.116","0.001","100.611","0.001","95.783","0.001","1165.32","0.03","123","2","123","2","","","","","","","chemical synthesis","4","P -1","-P 1","2","","Octamethylbiphenylene hexachloroantimonate","","- C20 H24 Cl6 Sb -","- C20 H24 Cl6 Sb -","- C40 H48 Cl12 Sb2 -","2","1","","Maguères, Pierre Le; Lindeman, Sergey V.; Kochi, Jay K.","Direct relationship between intermolecular charge-transfer and charge-resonance complexes via structural changes in the arene donor with various π-acceptors","Journal of the Chemical Society, Perkin Transactions 2","2001","","7","1180","","10.1039/b009543p","","","0.71073","MoKα","","0.0876","0.0506","","0.0894","0.0753","","","","1.125","1.128","1.128","","","","","has coordinates","180465","2020-10-21","18:00:00","" "7213458","9.6343","0.0002","10.6007","0.0002","13.8761","0.0002","81.964","0.001","70.035","0.001","80.276","0.001","1307.69","0.04","123","2","123","2","","","","","","","chemical synthesis","4","P -1","-P 1","2","","Octamethylbiphenylene hexachloroantimonate, dichloromethane monosolvate","","- C21 H26 Cl8 Sb -","- C21 H26 Cl8 Sb -","- C42 H52 Cl16 Sb2 -","2","1","","Maguères, Pierre Le; Lindeman, Sergey V.; Kochi, Jay K.","Direct relationship between intermolecular charge-transfer and charge-resonance complexes via structural changes in the arene donor with various π-acceptors","Journal of the Chemical Society, Perkin Transactions 2","2001","","7","1180","","10.1039/b009543p","","","0.71073","MoKα","","0.0661","0.0369","","0.0792","0.0671","","","","0.987","1.028","1.028","","","","","has coordinates","180465","2020-10-21","18:00:00","" "7213459","20.7994","0.0004","10.52","0.0003","19.6241","0.0005","90","","103.703","0.001","90","","4171.72","0.18","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C48 H39 Cr O4 P3 -","- C48 H39 Cr O4 P3 -","- C192 H156 Cr4 O16 P12 -","4","1","","Gibson (née Thomas), Susan E.; Steed, Jonathan W.; Sur, Surojit","Multiple substitutions on (η6-arene)tricarbonylchromium(0) complexes","Journal of the Chemical Society, Perkin Transactions 1","2001","","7","636","","10.1039/b009639n","","","0.71073","MoKα","","0.053","0.0371","","","0.0835","0.0893","","","","","","1.025","","","","has coordinates","180465","2020-10-21","18:00:00","" "7213460","44.292","0.004","7.662","0.001","14.949","0.001","90","","92.71","","90","","5067.5","0.9","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","3-cyano-6-(4-chlorophenyl)-4-[Bis(4-fluorophenyl)piperazino]-2H-pyran-2-one","","- C29 H22 Cl F2 N3 O2 -","- C29 H22 Cl F2 N3 O2 -","- C232 H176 Cl8 F16 N24 O16 -","8","1","","Ram, Vishnu J.; Srivastava, Pratibha; Agarwal, Nidhi; Sharon, Ashoke; Maulik, Prakas R.","One-pot synthesis of unsymmetrical biaryls from suitably functionalized 2H-pyran-2-ones through carbanion-induced ring-transformation reactions","Journal of the Chemical Society, Perkin Transactions 1","2001","","16","1953","","10.1039/b009725j","","","0.71073","MoKα","","0.1369","0.0584","","","0.124","0.1572","","","","","","1.006","","","","has coordinates","180465","2020-10-21","18:00:00","" "7213461","8.452","0.001","12.398","0.001","21.137","0.002","75.02","0.01","83.19","0.01","81.7","0.01","2109.6","0.4","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","4-(4-chlorophenyl)-2-(2-pyridyl piperazino)-6-cyclopropyl benzonitrile","","- C25 H23 Cl N4 -","- C25 H23 Cl N4 -","- C100 H92 Cl4 N16 -","4","2","","Ram, Vishnu J.; Srivastava, Pratibha; Agarwal, Nidhi; Sharon, Ashoke; Maulik, Prakas R.","One-pot synthesis of unsymmetrical biaryls from suitably functionalized 2H-pyran-2-ones through carbanion-induced ring-transformation reactions","Journal of the Chemical Society, Perkin Transactions 1","2001","","16","1953","","10.1039/b009725j","","","0.71073","MoKα","","0.0821","0.0554","","","0.1427","0.1705","","","","","","0.962","","","","has coordinates","180465","2020-10-21","18:00:00","" "7213462","8.9484","0.001","10.087","0.002","11.163","0.002","78.86","0.02","89.33","0.02","69.04","0.02","921.4","0.3","203","2","203","2","","","","","","","","4","P -1","-P 1","2","","","","- C16 H20 N8 O2 -","- C16 H19.822 N8 O2 -","- C32 H39.644 N16 O4 -","2","1","","Al-Azmi, Amal; Booth, Brian L.; Pritchard, Robin G.; Proença, Fernanda J. R. P.","Synthesis of novel 5-amino-6-ethoxy-2-alkylpyrimidine-4-carbonitriles","Journal of the Chemical Society, Perkin Transactions 1","2001","","5","485","","10.1039/b009804n","","","0.71073","MoKα","","0.1416","0.0789","","0.2497","0.1842","","","","1.123","1.351","1.351","","","","","has coordinates,has disorder","180465","2020-10-21","18:00:00","" "7213463","4.6631","0.001","17.102","0.002","9.1625","0.001","90","","93.764","0.01","90","","729.1","0.2","293","2","223","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C6 H6 N4 O -","- C6 H6 N4 O -","- C24 H24 N16 O4 -","4","1","","Al-Azmi, Amal; Booth, Brian L.; Pritchard, Robin G.; Proença, Fernanda J. R. P.","Synthesis of novel 5-amino-6-ethoxy-2-alkylpyrimidine-4-carbonitriles","Journal of the Chemical Society, Perkin Transactions 1","2001","","5","485","","10.1039/b009804n","","","0.71073","MoKα","","0.1097","0.0541","","","0.1006","0.1215","","","","","","1.015","","","","has coordinates","180465","2020-10-21","18:00:00","" "7213464","15.508","0.002","3.832","0.004","30.909","0.002","90","","92.3","0.03","90","","1835.3","1.9","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C25 H17 N3 O2 -","- C25 H17 N3 O2 -","- C100 H68 N12 O8 -","4","1","","Bobošíková, Mária; Clegg, William; Coles, Simon J.; Dandárová, Miloslava; Hursthouse, Michael B.; Kiss, Tibor; Krutošíková, Alžbeta; Liptaj, Tibor; Prónayová, Nad’a; Ramsden, Christopher A.","The oxidative rearrangement of furan-2-carboximidamides: preparation and properties of 2-acylaminofurans","Journal of the Chemical Society, Perkin Transactions 1","2001","","7","680","","10.1039/b010010m","","","0.6875","synchrotron","","0.0624","0.0507","","","0.1316","0.1371","","","","","","0.981","","","","has coordinates","198632","2020-10-21","18:00:00","" "7213465","25.908","0.005","10.067","0.002","11.851","0.002","90","","103.36","0.03","90","","3007.3","1","150","2","150","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C20 H15 N3 -","- C20 H15 N3 -","- C160 H120 N24 -","8","1","","Bobošíková, Mária; Clegg, William; Coles, Simon J.; Dandárová, Miloslava; Hursthouse, Michael B.; Kiss, Tibor; Krutošíková, Alžbeta; Liptaj, Tibor; Prónayová, Nad’a; Ramsden, Christopher A.","The oxidative rearrangement of furan-2-carboximidamides: preparation and properties of 2-acylaminofurans","Journal of the Chemical Society, Perkin Transactions 1","2001","","7","680","","10.1039/b010010m","","","0.71073","MoKα","","0.0666","0.0515","","","0.1375","0.15","","","","","","1.118","","","","has coordinates","198632","2020-10-21","18:00:00","" "7213466","7.892","0.002","15.17","0.02","12.017","0.004","90","","99.496","0.008","90","","1419","2","123.2","","123.2","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C16 H17 N S2 -","- C16 H17 N S2 -","- C64 H68 N4 S8 -","4","1","","Moriguchi, Tetsuji; Sakata, Kazunori; Tsuge, Akihiko","Intra- and intermolecular interactions in substituted dithia[3.3]metacyclophanes","Journal of the Chemical Society, Perkin Transactions 2","2001","","6","934","","10.1039/b100285f","","","0.7107","MoKα","","","","","","","","","","","","","","","","","has coordinates","176453","2020-10-21","18:00:00","" "7213467","25.166","0.008","25.166","0.008","9.246","0.007","90","","90","","90","","5856","5","93.2","","93.2","","","","","","","","","4","I 41/a :2","-I 4ad","88","","","","- C16 H18 N2 S2 -","- C16 H18 N2 S2 -","- C256 H288 N32 S32 -","16","1","","Moriguchi, Tetsuji; Sakata, Kazunori; Tsuge, Akihiko","Intra- and intermolecular interactions in substituted dithia[3.3]metacyclophanes","Journal of the Chemical Society, Perkin Transactions 2","2001","","6","934","","10.1039/b100285f","","","0.7107","MoKα","","","","","","","","","","","","","","","","","has coordinates","176453","2020-10-21","18:00:00","" "7213468","13.201","0.002","12.276","0.002","19.352","0.001","90","","107.004","0.008","90","","2999","0.7","293.2","","293.2","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C16 H16 N2 O2 S2 -","- C16 H16 N2 O2 S2 -","- C128 H128 N16 O16 S16 -","8","1","","Moriguchi, Tetsuji; Sakata, Kazunori; Tsuge, Akihiko","Intra- and intermolecular interactions in substituted dithia[3.3]metacyclophanes","Journal of the Chemical Society, Perkin Transactions 2","2001","","6","934","","10.1039/b100285f","","","1.5418","CuKα","","","","","","","","","","","","","","","","","has coordinates","176453","2020-10-21","18:00:00","" "7213469","14.345","0.006","20.103","0.006","10.291","0.008","90","","90","","90","","2968","3","113.2","","113.2","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C16 H16 N2 O2 S2 -","- C16 H16 N2 O2 S2 -","- C128 H128 N16 O16 S16 -","8","1","","Moriguchi, Tetsuji; Sakata, Kazunori; Tsuge, Akihiko","Intra- and intermolecular interactions in substituted dithia[3.3]metacyclophanes","Journal of the Chemical Society, Perkin Transactions 2","2001","","6","934","","10.1039/b100285f","","","0.7107","MoKα","","","","","","","","","","","","","","","","","has coordinates","176453","2020-10-21","18:00:00","" "7213470","5.387","0.001","7.948","0.002","18.06","0.004","90","","93.36","0.03","90","","771.9","0.3","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C5 H7 N2 O5 P -","- C5 H7 N2 O5 P -","- C20 H28 N8 O20 P4 -","4","1","","Cristóbal F. Moreno-Luque; Eva Freisinger; Burkhard Costisella; Rolf Griesser; Justyn Ochocki; Bernhard Lippert; Helmut Sigel","Comparison of the acid‒base properties of 5- and 6-uracilmethylphosphonate (5Umpa^2-^ and 6Umpa^2-^) and some related compounds","Journal of the Chemical Society, Perkin Transactions 2","2001","","10","2005","2011","10.1039/b101078f","","","0.71069","MoKα","","0.066","0.036","","0.0951","0.0801","","","","0.925","1.057","1.057","","","","","has coordinates","180465","2020-10-21","18:00:00","" "7213471","5.6084","0.0007","13.3595","0.0017","19.118","0.003","90","","90","","90","","1432.4","0.3","213","2","213","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C17 H18 O2 -","- C17 H18 O2 -","- C68 H72 O8 -","4","1","","Bickley, Jamie F.; Hauer, Bernhardt; Pena, Paula C. A.; Roberts, Stanley M.; Skidmore, John","The semi-pinacol rearrangement of homochiral epoxyalcohols catalysed by rare earth triflates","Journal of the Chemical Society, Perkin Transactions 1","2001","","11","1253","","10.1039/b101838h","","","0.71073","MoKα","","0.0658","0.0333","","","0.0608","0.0661","","","","","","0.772","","","","has coordinates","180465","2020-10-21","18:00:00","" "7213472","10.765","0.004","9.013","0.004","12.835","0.005","90","","111.43","0.03","90","","1159.2","0.8","123","2","123","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C28 H29 N O3 -","- C28 H29 N O3 -","- C56 H58 N2 O6 -","2","1","","Alexander (née Gillon), Karen; Cook, Stuart; Gibson, Colin L.; Kennedy†, Alan R.","Highly effective and recyclable chiral auxiliaries: a study of the synthesis and use of three 4-isopropyl-5,5-diaryloxazolidin-2-ones","Journal of the Chemical Society, Perkin Transactions 1","2001","","13","1538","","10.1039/b102020j","","","0.71069","MoKα","","0.1243","0.0635","","","0.1583","0.189","","","","","","1.018","","","","has coordinates","180465","2020-10-21","18:00:00","" "7213473","7.2501","0.0015","16.807","0.003","23.309","0.005","90","","90","","90","","2840.3","1","120","2","120","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C14 H20 B Fe N O2 -","- C14 H20 B Fe N O2 -","- C112 H160 B8 Fe8 N8 O16 -","8","2","","Norrild, Jens Chr.; Søtofte, Inger","Crystal structures of 2-(N,N-dimethylaminoalkyl)ferroceneboronic acids and their diol derivatives. The quest for a B‒N intramolecular bond in the solid state","Journal of the Chemical Society, Perkin Transactions 2","2001","","5","727","","10.1039/b102377m","","","0.71073","MoKα","","0.1659","0.0664","","0.1143","0.0921","","","","0.93","1.059","1.059","","","","","has coordinates","180465","2020-10-21","18:00:00","" "7213474","9.866","0.002","13.168","0.003","11.968","0.002","90","","92.55","0.03","90","","1553.3","0.5","120","2","120","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C40 H38 B Fe N O2 -","- C40 H38 B Fe N O2 -","- C80 H76 B2 Fe2 N2 O4 -","2","1","","Norrild, Jens Chr.; Søtofte, Inger","Crystal structures of 2-(N,N-dimethylaminoalkyl)ferroceneboronic acids and their diol derivatives. The quest for a B‒N intramolecular bond in the solid state","Journal of the Chemical Society, Perkin Transactions 2","2001","","5","727","","10.1039/b102377m","","","0.71073","MoKα","","0.0356","0.031","","0.0728","0.0707","","","","1.036","1.048","1.048","","","","","has coordinates","180465","2020-10-21","18:00:00","" "7213475","12.452","0.003","12.858","0.003","17.078","0.003","90","","104.77","0.03","90","","2644","1.1","120","2","120","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C13 H18 B Fe N O2 -","- C13 H18 B Fe N O2 -","- C104 H144 B8 Fe8 N8 O16 -","8","2","","Norrild, Jens Chr.; Søtofte, Inger","Crystal structures of 2-(N,N-dimethylaminoalkyl)ferroceneboronic acids and their diol derivatives. The quest for a B‒N intramolecular bond in the solid state","Journal of the Chemical Society, Perkin Transactions 2","2001","","5","727","","10.1039/b102377m","","","0.71073","MoKα","","0.0283","0.0231","","0.0653","0.0631","","","","1.051","1.093","1.093","","","","","has coordinates","180465","2020-10-21","18:00:00","" "7213476","21.431","0.004","6.1956","0.0012","20.414","0.004","90","","90","","90","","2710.5","0.9","120","2","120","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C13 H18 B Fe N O2 -","- C13 H18 B Fe N O2 -","- C104 H144 B8 Fe8 N8 O16 -","8","2","","Norrild, Jens Chr.; Søtofte, Inger","Crystal structures of 2-(N,N-dimethylaminoalkyl)ferroceneboronic acids and their diol derivatives. The quest for a B‒N intramolecular bond in the solid state","Journal of the Chemical Society, Perkin Transactions 2","2001","","5","727","","10.1039/b102377m","","","0.71073","MoKα","","0.1632","0.0788","","0.1533","0.1223","","","","1.052","1.133","1.133","","","","","has coordinates","180465","2020-10-21","18:00:00","" "7213477","7.3162","0.0015","11.887","0.002","12.622","0.003","90","","104.73","0.03","90","","1061.6","0.4","120","2","120","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C23 H32 B Fe N O2 -","- C23 H32 B Fe N O2 -","- C46 H64 B2 Fe2 N2 O4 -","2","1","","Norrild, Jens Chr.; Søtofte, Inger","Crystal structures of 2-(N,N-dimethylaminoalkyl)ferroceneboronic acids and their diol derivatives. The quest for a B‒N intramolecular bond in the solid state","Journal of the Chemical Society, Perkin Transactions 2","2001","","5","727","","10.1039/b102377m","","","0.71073","MoKα","","0.0503","0.0447","","0.1111","0.1077","","","","1.037","1.055","1.055","","","","","has coordinates","180465","2020-10-21","18:00:00","" "7213478","27.44","0.002","8.192","0.001","21.428","0.001","90","","106.25","0.01","90","","4624.3","0.7","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C28.5 H21.5 Cl1.5 F O -","- C28.5 H21.5 Cl1.5 F O -","- C228 H172 Cl12 F8 O8 -","8","1","","Ernet, Thomas; Maulitz, Andreas H.; Würthwein, Ernst-Ulrich; Haufe, Günter","Chemical consequences of fluorine substitution. Part 1. Experimental and theoretical results on Diels‒Alder reactions of α- and β-fluorostyrenes†","Journal of the Chemical Society, Perkin Transactions 1","2001","","16","1929","","10.1039/b102684b","","","1.54178","CuKα","","0.0783","0.0653","","0.2062","0.18","","","","1.032","1.041","1.041","","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00","" "7213479","28.038","0.007","10.358","0.004","16.719","0.005","90","","122.83","0.02","90","","4080","2","223","2","223","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C28 H21 F O -","- C28 H21 F O -","- C224 H168 F8 O8 -","8","1","","Ernet, Thomas; Maulitz, Andreas H.; Würthwein, Ernst-Ulrich; Haufe, Günter","Chemical consequences of fluorine substitution. Part 1. Experimental and theoretical results on Diels‒Alder reactions of α- and β-fluorostyrenes†","Journal of the Chemical Society, Perkin Transactions 1","2001","","16","1929","","10.1039/b102684b","","","0.71073","MoKα","","0.1589","0.0563","","0.1726","0.1238","","","","0.935","1.084","1.084","","","","","has coordinates,has disorder","180465","2020-10-21","18:00:00","" "7213480","7.976","0.003","9.399","0.004","24.084","0.011","90","","90","","90","","1805.5","1.3","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","(20R)-13β,14β-oxido-20-hydroxy-17(13->18)abeo-4-pregnen-3-one","","- C21 H30 O3 -","- C21 H30 O3 -","- C84 H120 O12 -","4","1","","Nicoletti, Daniel; Ghini, Alberto A.; Baggio, Ricardo F.; Garland, M. Teresa; Burton, Gerardo","Rearrangement of 18-iodo- and 20-iodopregnanes mediated by iodosyl derivatives","Journal of the Chemical Society, Perkin Transactions 1","2001","","13","1511","","10.1039/b102688g","","","0.71073","MoKα","","0.1194","0.0526","","","0.0902","0.114","","","","","","0.95","","","","has coordinates","180465","2020-10-21","18:00:00","" "7213481","7.518","0.002","16.476","0.006","17.818","0.008","90","","90","","90","","2207.1","1.4","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","(20R)-13β-methoxy-14α-hydroxy-20-acetyloxy-17(13->18)abeo-4-pregnen-3-one","","- C24 H36 O5 -","- C24 H36 O5 -","- C96 H144 O20 -","4","1","","Nicoletti, Daniel; Ghini, Alberto A.; Baggio, Ricardo F.; Garland, M. Teresa; Burton, Gerardo","Rearrangement of 18-iodo- and 20-iodopregnanes mediated by iodosyl derivatives","Journal of the Chemical Society, Perkin Transactions 1","2001","","13","1511","","10.1039/b102688g","","","0.71073","MoKα","","0.1824","0.0649","","","0.0793","0.1052","","","","","","0.932","","","","has coordinates","180465","2020-10-21","18:00:00","" "7213482","7.887","0.003","12.51","0.002","20.083","0.006","90","","90","","90","","1981.5","1","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(20R)-20-iodo-4-pregnen-3-one","","- C21 H31 I O -","- C21 H31 I O -","- C84 H124 I4 O4 -","4","1","","Nicoletti, Daniel; Ghini, Alberto A.; Baggio, Ricardo F.; Garland, M. Teresa; Burton, Gerardo","Rearrangement of 18-iodo- and 20-iodopregnanes mediated by iodosyl derivatives","Journal of the Chemical Society, Perkin Transactions 1","2001","","13","1511","","10.1039/b102688g","","","0.71073","MoKα","","0.0409","0.0319","","","0.0783","0.0831","","","","","","1.043","","","","has coordinates","180465","2020-10-21","18:00:00","" "7213483","6.6963","0.0019","11.819","0.003","24.686","0.007","90","","90","","90","","1953.7","0.9","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(20S)-20-iodo-4-pregnen-3-one","","- C21 H31 I O -","- C21 H31 I O -","- C84 H124 I4 O4 -","4","1","","Nicoletti, Daniel; Ghini, Alberto A.; Baggio, Ricardo F.; Garland, M. Teresa; Burton, Gerardo","Rearrangement of 18-iodo- and 20-iodopregnanes mediated by iodosyl derivatives","Journal of the Chemical Society, Perkin Transactions 1","2001","","13","1511","","10.1039/b102688g","","","0.71073","MoKα","","0.11","0.0561","","","0.1443","0.1748","","","","","","1.063","","","","has coordinates","180465","2020-10-21","18:00:00","" "7213484","15.0943","0.001","10.1836","0.0007","17.828","0.0011","90","","96.189","0.003","90","","2724.4","0.3","150","2","150","2","","","","","","","","4","P 1 21 1","P 2yb","4","","(2R,5S)-2,5-dihydro-2-isopropyl-3,6-dimethoxy-4'-[2R,5R)-2,5-dihydro-2- isopropyl-3,6-dimethoxypyrazine-5-spiro(cyclo-2'-penten-2'-yl]pyrazine-5- spiro(cyclo-3'-hexene)","","- C27 H40 N4 O4 -","- C27 H40 N4 O4 -","- C108 H160 N16 O16 -","4","2","","Efskind, Jon; Römming, Christian; Undheim, Kjell","Stereocontrolled construction of rigid tricyclic bis(α-amino acid) derivatives by Ru(Ii)-catalyzed cascade and Diels–Alder reactions","Journal of the Chemical Society, Perkin Transactions 1","2001","","20","2697","","10.1039/b103254m","","","0.71073","MoKα","","0.0645","0.042","","","0.0909","0.0994","","","","","","0.953","","","","has coordinates","180465","2020-10-21","18:00:00","" "7213485","5.713","0.002","31.811","0.012","9.9","0.004","90","","98.246","0.009","90","","1780.6","1.2","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C19 H16 N2 O5 S -","- C19 H16 N2 O5 S -","- C76 H64 N8 O20 S4 -","4","1","","Brown, Giles A.; Anderson, Kirsty M.; Large, Jonathan M.; Planchenault, Denis; Urban, Dominique; Hales, Neil J.; Gallagher, Timothy","Trapping highly reactive dipolarophiles. Exploiting the mechanism associated with the azomethine ylide strategy for β-lactam synthesis","Journal of the Chemical Society, Perkin Transactions 1","2001","","16","1897","","10.1039/b103271m","","","0.71073","MoKα","","0.1992","0.0707","","","0.1204","0.1635","","","","","","0.911","","","","has coordinates","180465","2020-10-21","18:00:00","" "7213486","9.1807","0.0019","11.696","0.002","13.88","0.003","90","","105.103","0.004","90","","1438.9","0.5","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","meso-3,3'-dioxo-6,7,6',7'-tetrahydro- 5H,5H'-[2,2']bi([1,3]thiazolo[3,2-a]pyridinyl)-2,2',8,8'-tetracarboxylate","","- C26 H32 N2 O10 S2 -","- C26 H32 N2 O10 S2 -","- C52 H64 N4 O20 S4 -","2","0.5","","Michael, Joseph P.; de Koning, Charles B.; van der Westhuyzen, Christiaan W.; Fernandes, Manuel A.","Influence of ring size on the outcome of sulfide contraction reactions with thiolactams. Isolation of bicyclic ketene S,N-acetals and thioisomünchnones","Journal of the Chemical Society, Perkin Transactions 1","2001","","17","2055","","10.1039/b103560f","","","0.71073","MoKα","","0.1044","0.0516","","","0.1381","0.16","","","","","","1.028","","","","has coordinates,has disorder","180465","2020-10-21","18:00:00","" "7213487","8.141","0.001","11.23","0.001","14.131","0.002","90","","101.22","0.01","90","","1267.2","0.3","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C8 H17 B0 F6 N2 P -","- C8 H17 F6 N2 P -","- C32 H68 F24 N8 P4 -","4","1","","Alder, Roger W.; Blake, Michael E.; Bufali, Simone; Butts, Craig P.; Orpen, A. Guy; Schütz, Jan; Williams, Stuart J.","Preparation of tetraalkylformamidinium salts and related species as precursors to stable carbenes","Journal of the Chemical Society, Perkin Transactions 1","2001","","14","1586","","10.1039/b104110j","","","0.71073","MoKα","","0.0654","0.0509","","0.1456","","0.1319","","","1.048","","","1.078","","","","has coordinates","180465","2020-10-21","18:00:00","" "7213488","8.996","0.002","9.238","0.002","11.992","0.002","90.02","0.02","91.36","0.02","112.5","0.02","920.4","0.4","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C14 H29 F3 N2 O3 S -","- C14 H29 F3 N2 O3 S -","- C28 H58 F6 N4 O6 S2 -","2","1","","Alder, Roger W.; Blake, Michael E.; Bufali, Simone; Butts, Craig P.; Orpen, A. Guy; Schütz, Jan; Williams, Stuart J.","Preparation of tetraalkylformamidinium salts and related species as precursors to stable carbenes","Journal of the Chemical Society, Perkin Transactions 1","2001","","14","1586","","10.1039/b104110j","","","0.71073","MoKα","","0.08","0.0572","","0.1662","","0.1569","","","1.129","","","1.312","","","","has coordinates","180465","2020-10-21","18:00:00","" "7213489","9.61","0.002","12.226","0.003","14.09","0.002","90","","90","","90","","1655.5","0.6","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C12 H25 F6 N2 P -","- C12 H25 F6 N2 P -","- C48 H100 F24 N8 P4 -","4","1","","Alder, Roger W.; Blake, Michael E.; Bufali, Simone; Butts, Craig P.; Orpen, A. Guy; Schütz, Jan; Williams, Stuart J.","Preparation of tetraalkylformamidinium salts and related species as precursors to stable carbenes","Journal of the Chemical Society, Perkin Transactions 1","2001","","14","1586","","10.1039/b104110j","","","0.71073","MoKα","","0.0793","0.0593","","0.1777","","0.1725","","","1.026","","","1.354","","","","has coordinates","180465","2020-10-21","18:00:00","" "7213490","18.086","0.0003","9.7339","0.0001","7.6426","0.0002","90","","90","","90","","1345.46","0.04","173","2","173","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C11 H21 B F4 N2 -","- C11 H21 B F4 N2 -","- C44 H84 B4 F16 N8 -","4","0.5","","Alder, Roger W.; Blake, Michael E.; Bufali, Simone; Butts, Craig P.; Orpen, A. Guy; Schütz, Jan; Williams, Stuart J.","Preparation of tetraalkylformamidinium salts and related species as precursors to stable carbenes","Journal of the Chemical Society, Perkin Transactions 1","2001","","14","1586","","10.1039/b104110j","","","0.71073","MoKα","","0.0668","0.0525","","0.1657","","0.1568","","","1.112","","","1.227","","","","has coordinates","180465","2020-10-21","18:00:00","" "7213491","11.3218","0.0013","17.9","0.002","24.468","0.004","90","","90","","90","","4958.7","1.1","173","2","173","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C16 H30 F6 N2 O7 S2 -","- C16 H30 F6 N2 O7 S2 -","- C128 H240 F48 N16 O56 S16 -","8","1","","Alder, Roger W.; Blake, Michael E.; Bufali, Simone; Butts, Craig P.; Orpen, A. Guy; Schütz, Jan; Williams, Stuart J.","Preparation of tetraalkylformamidinium salts and related species as precursors to stable carbenes","Journal of the Chemical Society, Perkin Transactions 1","2001","","14","1586","","10.1039/b104110j","","","0.71073","MoKα","","0.0914","0.0472","","0.1086","","0.0841","","","1.134","","","1.123","","","","has coordinates","180465","2020-10-21","18:00:00","" "7213492","12.0943","0.0002","16.0992","0.0001","16.4556","0.0001","90","","90","","90","","3204.05","0.06","173","2","173","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C12 H22 F6 N3 P -","- C12 H22 F6 N3 P -","- C96 H176 F48 N24 P8 -","8","2","","Alder, Roger W.; Blake, Michael E.; Bufali, Simone; Butts, Craig P.; Orpen, A. Guy; Schütz, Jan; Williams, Stuart J.","Preparation of tetraalkylformamidinium salts and related species as precursors to stable carbenes","Journal of the Chemical Society, Perkin Transactions 1","2001","","14","1586","","10.1039/b104110j","","","0.71073","MoKα","","0.0486","0.0398","","0.1088","","0.1009","","","1.094","","","1.09","","","","has coordinates","180465","2020-10-21","18:00:00","" "7213493","10.257","0.002","28.375","0.005","10.59","0.002","90","","112.21","0.03","90","","2853.5","1.1","150","2","150","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C40 H30 N2 -","- C40 H30 N2 -","- C160 H120 N8 -","4","1","","Groundwater, Paul W.; Garnett, Ian; Morton, Andrew J.; Sharif, Toqir; Coles, Simon J.; Hursthouse, Michael B.; Nyerges, Miklos; Anderson, Rosaleen J.; Bendell, David; McKillop, Alexander; Zhang, Weimin","A novel synthesis of imidazoles via the cycloaddition of nitrile ylides to their imidoyl chloride precursors","Journal of the Chemical Society, Perkin Transactions 1","2001","","21","2781","","10.1039/b104130b","","","0.71073","MoKα","","0.1598","0.0626","","","0.1374","0.1863","","","","","","0.888","","","","has coordinates","180465","2020-10-21","18:00:00","" "7213494","24.555","0.003","8.5576","0.0011","6.714","0.0008","90","","98.416","0.01","90","","1395.6","0.3","120","2","120","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C12 H18 N2 O9 -","- C12 H18 N2 O9 -","- C48 H72 N8 O36 -","4","1","","Ravn, Jacob; Thorup, Niels; Nielsen, Poul","A conformationally locked tricyclic nucleoside. Synthesis, crystal structure and incorporation into oligonucleotides","Journal of the Chemical Society, Perkin Transactions 1","2001","","16","1855","","10.1039/b104438a","","","0.71073","MoKα","","0.027","0.0262","","","0.0685","0.069","","","","","","1.04","","","","has coordinates","180465","2020-10-21","18:00:00","" "7213495","12.402","0.008","9.568","0.004","13.15","0.006","90","","124.59","0.06","90","","1284.6","1.5","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C10 H20 N2 O S -","- C10 H20 N2 O S -","- C40 H80 N8 O4 S4 -","4","1","","Ribeiro da Silva, Manuel A. V.; Ribeiro da Silva, Maria D. M. C.; da Silva, Luís C. M.; Dietze, Frank; Hoyer, Eberhard; Beyer, Lothar; Schröder, Bernd; Damas, Ana M.; Liebman, Joel F.","Synthesis, characterization and thermochemical properties of N-acyl-N′,N′-diethylthioureas","Journal of the Chemical Society, Perkin Transactions 2","2001","","11","2174","","10.1039/b104709b","","","0.71069","MoKα","","0.0587","0.046","","0.138","0.1229","","","","1.067","1.064","1.064","","","","","has coordinates","180465","2020-10-21","18:00:00","" "7213496","13.347","0.002","13.738","0.002","14.152","0.002","90","","90","","90","","2594.9","0.7","180","2","180","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C22 H42 B2 N4 P2 -","- C22 H42 B2 N4 P2 -","- C88 H168 B8 N16 P8 -","4","1","","Smyth, Donald; Tye, Heather; Eldred, Colin; Alcock, Nathaniel W.; Wills, Martin","Synthesis and applications to asymmetric catalysis of a series of mono- and bis(diazaphospholidine) ligands","Journal of the Chemical Society, Perkin Transactions 1","2001","","21","2840","","10.1039/b106399p","","","0.71073","MoKα","","0.0743","0.0493","","0.1044","0.0941","","","","1.037","1.064","1.064","","","","","has coordinates","180465","2020-10-21","18:00:00","" "7213497","8.3","0.004","13.789","0.005","14.553","0.005","90","","90","","90","","1665.6","1.2","200","2","200","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C15 H26 B N2 O P -","- C15 H26 B N2 O P -","- C60 H104 B4 N8 O4 P4 -","4","1","","Smyth, Donald; Tye, Heather; Eldred, Colin; Alcock, Nathaniel W.; Wills, Martin","Synthesis and applications to asymmetric catalysis of a series of mono- and bis(diazaphospholidine) ligands","Journal of the Chemical Society, Perkin Transactions 1","2001","","21","2840","","10.1039/b106399p","","","0.71073","MoKα","","0.1065","0.0637","","0.1124","0.0973","","","","1.068","1.114","1.114","","","","","has coordinates","180465","2020-10-21","18:00:00","" "7213498","9.023","0.003","11.0408","0.0016","16.112","0.003","90","","90","","90","","1605.1","0.7","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C17 H17 N O7 -","- C17 H17 N O7 -","- C68 H68 N4 O28 -","4","1","","Frances Heaney; Julie Fenlon; Colm O'Mahony; Patrick McArdle; Desmond Cunningham","Nitrogen-containing heterocycles: 1,3-dipolar cycloaddition of stabilized nitrones with alkynes; primary cycloadducts, first and second generation rearrangement processes","Journal of the Chemical Society, Perkin Transactions 1","2001","","24","3382","3392","10.1039/b106832f","","","0.71069","MoKα","","0.0923","0.0501","","","0.1128","0.1251","","","","","","0.975","","","","has coordinates","180465","2020-10-21","18:00:00","" "7213499","9.917","0.002","11.62","0.003","13.983","0.004","90","","107.4","0.02","90","","1537.6","0.7","293","2","293","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C14 H15 N O8 -","- C14 H15 N O8 -","- C56 H60 N4 O32 -","4","1","","Frances Heaney; Julie Fenlon; Colm O'Mahony; Patrick McArdle; Desmond Cunningham","Nitrogen-containing heterocycles: 1,3-dipolar cycloaddition of stabilized nitrones with alkynes; primary cycloadducts, first and second generation rearrangement processes","Journal of the Chemical Society, Perkin Transactions 1","2001","","24","3382","3392","10.1039/b106832f","","","0.71069","MoKα","","0.0729","0.0365","","","0.0934","0.1036","","","","","","1.032","","","","has coordinates","180465","2020-10-21","18:00:00","" "7213500","13.8726","0.0009","30.229","0.003","9.8793","0.0006","90","","90","","90","","4142.9","0.6","293","2","293","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C19 H20 F3 N5 O6 -","- C19 H20 F3 N5 O6 -","- C152 H160 F24 N40 O48 -","8","1","","R. Gareth Davies; Vernon C. Gibson; Michael B. Hursthouse; Mark E. Light; Edward L. Marshall; Michael North; David A. Robson; Ian Thompson; Andrew J. P. White; David J. Williams; Paul J. Williams","Synthesis of nucleic-acid base containing norbornene derivatives as monomers for ring-opening-metathesis‒polymerization","Journal of the Chemical Society, Perkin Transactions 1","2001","","24","3365","3381","10.1039/b107139d","","","1.54178","CuKα","","0.1002","0.0638","","0.1932","0.1602","","","","1.035","1.084","1.084","","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00","" "7213501","37.962","0.004","12.6553","0.0008","9.5517","0.0009","90","","91.589","0.008","90","","4587.1","0.7","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C23 H27 N7 O5 -","- C23 H27 N7 O5 -","- C184 H216 N56 O40 -","8","1","","R. Gareth Davies; Vernon C. Gibson; Michael B. Hursthouse; Mark E. Light; Edward L. Marshall; Michael North; David A. Robson; Ian Thompson; Andrew J. P. White; David J. Williams; Paul J. Williams","Synthesis of nucleic-acid base containing norbornene derivatives as monomers for ring-opening-metathesis‒polymerization","Journal of the Chemical Society, Perkin Transactions 1","2001","","24","3365","3381","10.1039/b107139d","","","1.54178","CuKα","","0.0863","0.0628","","0.1798","0.1547","","","","1.057","1.065","1.065","","","","","has coordinates","180466","2020-10-21","18:00:00","" "7213502","6.7111","0.0002","9.2637","0.0005","15.5593","0.0008","103.438","0.002","98.437","0.003","102.274","0.003","899.54","0.07","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C18 H18 N6 O4 -","- C18 H18 N6 O4 -","- C36 H36 N12 O8 -","2","1","","R. Gareth Davies; Vernon C. Gibson; Michael B. Hursthouse; Mark E. Light; Edward L. Marshall; Michael North; David A. Robson; Ian Thompson; Andrew J. P. White; David J. Williams; Paul J. Williams","Synthesis of nucleic-acid base containing norbornene derivatives as monomers for ring-opening-metathesis‒polymerization","Journal of the Chemical Society, Perkin Transactions 1","2001","","24","3365","3381","10.1039/b107139d","","","0.71073","MoKα","","0.0567","0.0431","","","0.1108","0.1206","","","","","","1.018","","","","has coordinates","180466","2020-10-21","18:00:00","" "7213506","6.225","0.001","10.446","0.001","12.497","0.002","85.74","0.01","87.21","0.01","83.12","0.01","803.9","0.2","295","","295","","","","","","","","?","5","P -1","-P 1","2","","","","- C16 H21 Cl N2 O2 -","- C16 H21 Cl N2 O2 -","- C32 H42 Cl2 N4 O4 -","2","1","","Hodgson, David M.; Maxwell, Christopher R.; Wisedale, Richard; Matthews, Ian R.; Carpenter, Kate J.; Dickenson, Anthony H.; Wonnacott, Susan","6-Substituted 2-azabicyclo[2.2.1]hept-5-enes by nitrogen-directed radical rearrangement: synthesis of an epibatidine analogue with high binding affinity at the nicotinic acetylcholine receptorElectronic supplementary information (ESI) available: details of biological studies. See http://www.rsc.org/suppdata/p1/b1/b107414h/","Journal of the Chemical Society, Perkin Transactions 1","2001","","23","3150","","10.1039/b107414h","","","1.5418","CuKα","","","0.0597","","","0.0643","","","","","1.0912","1.0912","","","","","has coordinates","211332","2020-10-21","18:00:00","" "7213511","7.5959","0.0006","11.2333","0.001","10.9437","0.0009","90","","99.459","0.002","90","","921.1","0.13","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C9 H14 Br N O -","- C9 H14 Br N O -","- C36 H56 Br4 N4 O4 -","4","1","","Lera, Manuel; Blake, Alexander J.; Wilson, Claire; Mascal, Mark","Azatriquinanes. Part 4.1 The chemistry of azatriquinenamine and its bromination productsElectronic supplementary information (ESI) available: 1H-NMR spectra for all new compounds described in this work. See http://www.rsc.org/suppdata/p1/b1/b107707d/","Journal of the Chemical Society, Perkin Transactions 1","2001","","23","3145","","10.1039/b107707d","","","0.71073","MoKα","","0.0397","0.0289","","","0.07","0.0731","","","","","","0.973","","","","has coordinates","180466","2020-10-21","18:00:00","" "7213512","7.9285","0.0007","15.3908","0.0013","8.6509","0.0007","90","","92.781","0.002","90","","1054.39","0.15","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C9 H11 Br2 N O2 -","- C9 H11 Br2 N O2 -","- C36 H44 Br8 N4 O8 -","4","1","","Lera, Manuel; Blake, Alexander J.; Wilson, Claire; Mascal, Mark","Azatriquinanes. Part 4.1 The chemistry of azatriquinenamine and its bromination productsElectronic supplementary information (ESI) available: 1H-NMR spectra for all new compounds described in this work. See http://www.rsc.org/suppdata/p1/b1/b107707d/","Journal of the Chemical Society, Perkin Transactions 1","2001","","23","3145","","10.1039/b107707d","","","0.71073","MoKα","","0.0321","0.026","","","0.0659","0.0675","","","","","","1.045","","","","has coordinates","180466","2020-10-21","18:00:00","" "7213513","7.471","0.003","7.526","0.004","9.411","0.004","70.19","0.03","68.2","0.03","62.54","0.03","426.8","0.4","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C9 H8 Br N O -","- C9 H8 Br N O -","- C18 H16 Br2 N2 O2 -","2","1","","Lera, Manuel; Blake, Alexander J.; Wilson, Claire; Mascal, Mark","Azatriquinanes. Part 4.1 The chemistry of azatriquinenamine and its bromination productsElectronic supplementary information (ESI) available: 1H-NMR spectra for all new compounds described in this work. See http://www.rsc.org/suppdata/p1/b1/b107707d/","Journal of the Chemical Society, Perkin Transactions 1","2001","","23","3145","","10.1039/b107707d","","","0.71073","MoKα","","0.0578","0.0426","","","0.0891","0.0986","","","","","","1.18","","","","has coordinates","211332","2020-10-21","18:00:00","" "7213514","6.5196","0.0009","8.205","0.001","10.465","0.002","100.683","0.002","97.512","0.003","112.135","0.003","497.04","0.13","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C9 H11 Br2 N O2 -","- C9 H11 Br2 N O2 -","- C18 H22 Br4 N2 O4 -","2","1","","Lera, Manuel; Blake, Alexander J.; Wilson, Claire; Mascal, Mark","Azatriquinanes. Part 4.1 The chemistry of azatriquinenamine and its bromination productsElectronic supplementary information (ESI) available: 1H-NMR spectra for all new compounds described in this work. See http://www.rsc.org/suppdata/p1/b1/b107707d/","Journal of the Chemical Society, Perkin Transactions 1","2001","","23","3145","","10.1039/b107707d","","","0.71073","MoKα","","0.0518","0.0439","","","0.12","0.125","","","","","","1.02","","","","has coordinates","180466","2020-10-21","18:00:00","" "7213515","7.095","0.0014","7.9444","0.0016","10.663","0.002","77.401","0.004","79.163","0.003","66.936","0.003","536.14","0.18","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C9 H10 Br3 N O -","- C9 H10 Br3 N O -","- C18 H20 Br6 N2 O2 -","2","1","","Lera, Manuel; Blake, Alexander J.; Wilson, Claire; Mascal, Mark","Azatriquinanes. Part 4.1 The chemistry of azatriquinenamine and its bromination productsElectronic supplementary information (ESI) available: 1H-NMR spectra for all new compounds described in this work. See http://www.rsc.org/suppdata/p1/b1/b107707d/","Journal of the Chemical Society, Perkin Transactions 1","2001","","23","3145","","10.1039/b107707d","","","0.71073","MoKα","","0.0484","0.0425","","","0.1123","0.1151","","","","","","1.02","","","","has coordinates","180466","2020-10-21","18:00:00","" "7213516","11.049","0.003","14.876","0.004","13.085","0.003","90","","109.177","0.005","90","","2031.4","0.9","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C9 H9 Br2 N O -","- C9 H9 Br2 N O -","- C72 H72 Br16 N8 O8 -","8","2","","Lera, Manuel; Blake, Alexander J.; Wilson, Claire; Mascal, Mark","Azatriquinanes. Part 4.1 The chemistry of azatriquinenamine and its bromination productsElectronic supplementary information (ESI) available: 1H-NMR spectra for all new compounds described in this work. See http://www.rsc.org/suppdata/p1/b1/b107707d/","Journal of the Chemical Society, Perkin Transactions 1","2001","","23","3145","","10.1039/b107707d","","","0.71073","MoKα","","0.0609","0.0338","","","0.0571","0.0603","","","","","","1.064","","","","has coordinates","180466","2020-10-21","18:00:00","" "7213518","5.6341","0.0017","10.142","0.004","18.013","0.007","90","","90","","90","","1029.3","0.6","300","2","300","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(1S,2S)-2-phenyl-1,3-dithiane-1-oxide","","- C10 H12 O S2 -","- C10 H12 O S2 -","- C40 H48 O4 S8 -","4","1","","Derek R. Boyd; Narain D. Sharma; Simon A. Haughey; John F. Malone; Alistair W. T. King; Brian T. McMurray; André Alves-Areias; Christopher C. R. Allen; Robert Holt; Howard Dalton","Dioxygenase-catalysed mono-, di- and tri-oxygenation of dialkyl sulfides and thioacetals: chemoenzymatic synthesis of enantiopure cis-diol sulfoxides","Journal of the Chemical Society, Perkin Transactions 1","2001","","24","3288","3296","10.1039/b108620k","","","0.71073","MoKα","","0.0356","0.0301","","","0.0737","0.0776","","","","","","1.045","","","","has coordinates","288183","2023-12-08","14:43:01","" "7213519","5.2634","0.0007","10.0356","0.0014","10.9997","0.0015","90","","97.184","0.002","90","","576.46","0.14","153","2","153","2","","","","","","","","4","P 1 21 1","P 2yb","4","","cis-(1S,2R)-3-(1'S,2'S-1'-oxo-1',3'-dithian-2'-yl)cyclohexa-3,5-diene-1,2-diol","","- C10 H14 O3 S2 -","- C10 H14 O3 S2 -","- C20 H28 O6 S4 -","2","1","","Derek R. Boyd; Narain D. Sharma; Simon A. Haughey; John F. Malone; Alistair W. T. King; Brian T. McMurray; André Alves-Areias; Christopher C. R. Allen; Robert Holt; Howard Dalton","Dioxygenase-catalysed mono-, di- and tri-oxygenation of dialkyl sulfides and thioacetals: chemoenzymatic synthesis of enantiopure cis-diol sulfoxides","Journal of the Chemical Society, Perkin Transactions 1","2001","","24","3288","3296","10.1039/b108620k","","","0.71073","MoKα","","0.0395","0.0364","","","0.0903","0.0921","","","","","","1.047","","","","has coordinates","288183","2023-12-08","14:43:01","" "7213520","6.2383","0.0005","8.6358","0.0007","17.1061","0.0013","90","","90","","90","","921.55","0.13","153","2","153","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(1S,2S)-2-phenyl-1,3-dithiolane-1-oxide","","- C9 H10 O S2 -","- C9 H10 O S2 -","- C36 H40 O4 S8 -","4","1","","Derek R. Boyd; Narain D. Sharma; Simon A. Haughey; John F. Malone; Alistair W. T. King; Brian T. McMurray; André Alves-Areias; Christopher C. R. Allen; Robert Holt; Howard Dalton","Dioxygenase-catalysed mono-, di- and tri-oxygenation of dialkyl sulfides and thioacetals: chemoenzymatic synthesis of enantiopure cis-diol sulfoxides","Journal of the Chemical Society, Perkin Transactions 1","2001","","24","3288","3296","10.1039/b108620k","","","0.71073","MoKα","","0.0324","0.0305","","","0.0695","0.0702","","","","","","1.109","","","","has coordinates","180466","2020-10-21","18:00:00","" "7213521","5.326","0.001","8.844","0.001","18.602","0.003","90","","90","","90","","876.2","0.2","153","2","153","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","cis-(1S,2R)-3-(R-methylsulfinylmethyl)cyclohexa-3,5-diene-1,2-diol","","- C8 H12 O3 S -","- C8 H12 O3 S -","- C32 H48 O12 S4 -","4","1","","Derek R. Boyd; Narain D. Sharma; Simon A. Haughey; John F. Malone; Alistair W. T. King; Brian T. McMurray; André Alves-Areias; Christopher C. R. Allen; Robert Holt; Howard Dalton","Dioxygenase-catalysed mono-, di- and tri-oxygenation of dialkyl sulfides and thioacetals: chemoenzymatic synthesis of enantiopure cis-diol sulfoxides","Journal of the Chemical Society, Perkin Transactions 1","2001","","24","3288","3296","10.1039/b108620k","","","0.71073","MoKα","","0.043","0.0357","","","0.0882","0.0933","","","","","","1.114","","","","has coordinates","180466","2020-10-21","18:00:00","" "7216866","8.159","0.003","17.37","0.005","21.182","0.007","90","","90","","90","","3002","1.7","200","2","200","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C29 H29 Cl F6 N3 Ru Sb -","- C29 H29 Cl F6 N3 Ru Sb -","- C116 H116 Cl4 F24 N12 Ru4 Sb4 -","4","1","","Davenport, Adam J.; Davies, David L.; Fawcett, John; Russell, David R.","Chiral pyridylimidazolines: synthesis, arene ruthenium complexes and application in asymmetric catalysis","Journal of the Chemical Society, Perkin Transactions 1","2001","","13","1500","","10.1039/b103175a","","","0.71073","MoKα","","0.0742","0.0471","","","0.0931","0.1064","","","","","","1.088","","","","has coordinates","180499","2020-10-21","18:00:00","" "7216867","8.566","0.003","17.569","0.008","20.345","0.005","90","","90","","90","","3061.8","1.9","195","2","195","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C30 H31 Cl F6 N3 Ru Sb -","- C30 H31 Cl F6 N3 Ru Sb -","- C120 H124 Cl4 F24 N12 Ru4 Sb4 -","4","1","","Davenport, Adam J.; Davies, David L.; Fawcett, John; Russell, David R.","Chiral pyridylimidazolines: synthesis, arene ruthenium complexes and application in asymmetric catalysis","Journal of the Chemical Society, Perkin Transactions 1","2001","","13","1500","","10.1039/b103175a","","","0.71073","MoKα","","0.0615","0.0461","","","0.105","0.113","","","","","","1.038","","","","has coordinates","180499","2020-10-21","18:00:00","" "7216868","6.5627","0.0002","6.6924","0.0002","8.2274","0.0003","72.83","0.002","87.467","0.002","82.367","0.002","342.18","0.02","120","2","120","2","","","","","","","","4","P -1","-P 1","2","[CH3CH2C(NH2)2][NO3]","","","- C3 H9 N3 O3 -","- C3 H9 N3 O3 -","- C6 H18 N6 O6 -","2","1","","Kopylovich, Maximilian N.; Kukushkin, Vadim Yu.; Guedes da Silva, M. Fátima C.; Haukka, Matti; Fraústo da Silva, João J. R.; Pombeiro, Armando J. L.","Conversion of alkanenitriles to amidines and carboxylic acids mediated by a cobalt(II)‒ketoxime system","Journal of the Chemical Society, Perkin Transactions 1","2001","","13","1569","","10.1039/b101337h","","","0.71073","MoKα","","0.0356","0.0338","","","0.0873","0.0892","","","","","","1.054","","","","has coordinates","180499","2020-10-21","18:00:00","" "7216869","6.4444","0.0004","17.513","0.0015","6.8157","0.0005","90","","98.265","0.005","90","","761.24","0.1","120","2","120","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","[CH3(CH2)2(NH2)2][NO3]","","","- C4 H11 N3 O3 -","- C4 H11 N3 O3 -","- C16 H44 N12 O12 -","4","1","","Kopylovich, Maximilian N.; Kukushkin, Vadim Yu.; Guedes da Silva, M. Fátima C.; Haukka, Matti; Fraústo da Silva, João J. R.; Pombeiro, Armando J. L.","Conversion of alkanenitriles to amidines and carboxylic acids mediated by a cobalt(II)‒ketoxime system","Journal of the Chemical Society, Perkin Transactions 1","2001","","13","1569","","10.1039/b101337h","","","0.71073","MoKα","","0.0625","0.0557","","","0.1442","0.1485","","","","","","1.154","","","","has coordinates","180499","2020-10-21","18:00:00","" "7216870","6.4391","0.0002","6.7648","0.0002","10.527","0.004","73.655","0.002","81.477","0.002","82.105","0.002","432.94","0.17","120","2","120","2","","","","","","","","4","P -1","-P 1","2","[CH3(CH2)3C(NH2)2][NO3]","","","- C5 H13 N3 O3 -","- C5 H13 N3 O3 -","- C10 H26 N6 O6 -","2","1","","Kopylovich, Maximilian N.; Kukushkin, Vadim Yu.; Guedes da Silva, M. Fátima C.; Haukka, Matti; Fraústo da Silva, João J. R.; Pombeiro, Armando J. L.","Conversion of alkanenitriles to amidines and carboxylic acids mediated by a cobalt(II)‒ketoxime system","Journal of the Chemical Society, Perkin Transactions 1","2001","","13","1569","","10.1039/b101337h","","","0.71073","MoKα","","0.0393","0.037","","","0.0934","0.0957","","","","","","1.07","","","","has coordinates","180499","2020-10-21","18:00:00","" "7216871","7.8179","0.001","12.7715","0.0008","7.9825","0.0006","90","","117.723","0.009","90","","705.53","0.13","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","[Co(H2O)4(MeCN)2][NO3]","","","- C2 H7 Co0.5 N2 O5 -","- C2 H7 Co0.5 N2 O5 -","- C8 H28 Co2 N8 O20 -","4","1","","Kopylovich, Maximilian N.; Kukushkin, Vadim Yu.; Guedes da Silva, M. Fátima C.; Haukka, Matti; Fraústo da Silva, João J. R.; Pombeiro, Armando J. L.","Conversion of alkanenitriles to amidines and carboxylic acids mediated by a cobalt(II)‒ketoxime system","Journal of the Chemical Society, Perkin Transactions 1","2001","","13","1569","","10.1039/b101337h","","","0.71069","MoKα","","0.0755","0.0459","","","0.1044","0.124","","","","","","1.047","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00","" "7216872","24.012","0.003","7.609","0.001","15.758","0.002","90","","105.89","0.01","90","","2769.1","0.6","200","2","200","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C15 H12 F3 N3 O -","- C15 H12 F3 N3 O -","- C120 H96 F24 N24 O8 -","8","1","","Atkinson, Robert S.; Meades, Christopher K.","Aziridination of cyclic dienes with enantiopure 3-acetoxyaminoquinazolin-4(3H)-ones","Journal of the Chemical Society, Perkin Transactions 1","2001","","13","1518","","10.1039/b102592a","","","0.71073","MoKα","","0.088","0.0704","","0.2323","0.2078","","","","1.078","1.135","1.135","","","","","has coordinates","180499","2020-10-21","18:00:00","" "7216873","10.242","0.002","10.242","0.002","17.385","0.003","90","","90","","90","","1823.7","0.6","200","2","200","2","","","","","","","","4","P 43","P 4cw","78","","","","- C20 H25 N3 O2 -","- C20 H25 N3 O2 -","- C80 H100 N12 O8 -","4","1","","Atkinson, Robert S.; Meades, Christopher K.","Aziridination of cyclic dienes with enantiopure 3-acetoxyaminoquinazolin-4(3H)-ones","Journal of the Chemical Society, Perkin Transactions 1","2001","","13","1518","","10.1039/b102592a","","","0.71073","MoKα","","0.0443","0.0358","","","0.0909","0.0972","","","","","","1.03","","","","has coordinates","180499","2020-10-21","18:00:00","" "7216874","9.751","0.001","18.486","0.001","14.7287","0.0006","90","","115.759","0.0004","90","","2391.1","0.3","293.2","","","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C11 H9 Cl3 O2 -","- C11 H9 Cl3 O2 -","- C88 H72 Cl24 O16 -","8","2","","Yokoyama, Ryuji; Ito, Shunji; Watanabe, Masataka; Harada, Nobuyuki; Kabuto, Chizuko; Morita, Noboru","[2 + 2] Cycloaddition reaction of cycloheptatriene with dichloroketene. A novel and efficient synthetic strategy for the synthesis of 2-hydroxyazulene","Journal of the Chemical Society, Perkin Transactions 1","2001","","18","2257","","10.1039/b104164a","","","0.7107","MoKα","","","0.0408","","","","0.0421","","","","","","0.938","","","","has coordinates","176453","2020-10-21","18:00:00","" "7216875","6.6011","0.0005","16.1185","0.001","14.513","0.001","90","","91.431","0.007","90","","1543.7","0.18","243","","243","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C18 H22 O5 -","- C18 H22 O5 -","- C72 H88 O20 -","4","1","","Blaauw, Richard H.; Benningshof, Jorg C. J.; van Ginkel, Angeline E.; van Maarseveen, Jan H.; Hiemstra, Henk","Intramolecular [2+2] photocycloadditions as an approach towards the right-hand side of solanoeclepin A","Journal of the Chemical Society, Perkin Transactions 1","2001","","18","2250","","10.1039/b104165g","","","1.5418","CuKα","","0.06","0.05","","0.057","","0.053","","","0.896","","","0.938","","","","has coordinates","176432","2020-10-21","18:00:00","" "7216876","9.968","0.002","10.083","0.002","12.633","0.001","90","","105.15","0.01","90","","1225.6","0.4","193.2","","193.2","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C25 H34 O9 -","- C25 H30.22 O9 -","- C50 H60.44 O18 -","2","1","","Banwell, Martin G.; McRae, Kenneth J.; Willis, Anthony C.","A chemoenzymatic synthesis of the carbobicyclic core associated with CP-225,917 and CP-263,114 (phomoidrides A and B)","Journal of the Chemical Society, Perkin Transactions 1","2001","","18","2194","","10.1039/b105376k","","","1.5418","CuKα","","0.0567","0.0525","","0.0444","","0.044","","","2.839","","","2.938","","","","has coordinates","176453","2020-10-21","18:00:00","" "7216877","6.794","0.005","8.125","0.006","11.675","0.004","90","","103.6","0.04","90","","626.4","0.7","296.2","","","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C13 H18 N2 O -","- C13 H18 N2 O -","- C26 H36 N4 O2 -","2","1","","Matsuyama, Haruo; Itoh, Nobuhiro; Matsumoto, Aoi; Ohira, Nahoko; Hara, Kenji; Yoshida, Masato; Iyoda, Masahiko","Conjugate addition of 6-membered hydrazine to chiral tert-butyl (E)-2-(p-tolylsulfinyl)cinnamates. Synthesis of (S)-celacinnine","Journal of the Chemical Society, Perkin Transactions 1","2001","","22","2924","","10.1039/b107443c","","","0.7107","MoKα","","","0.0453","","","","0.0646","","","","","","1.246","","","","has coordinates","176453","2020-10-21","18:00:00","" "7216878","10.514","0.002","28.46","0.002","5.86","0.002","90","","90","","90","","1753.5","0.7","288","2","288","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","mpc","Macrosphelide C","","- C16 H22 O7 -","- C16 H22 O7 -","- C64 H88 O28 -","4","1","","Yamada, Takeshi; Iritani, Masashi; Doi, Mitsunobu; Minoura, Katsuhiko; Ito, Tadayoshi; Numata, Atsushi","Absolute stereostructures of cell-adhesion inhibitors, macrosphelides C, E–G and I, produced by a Periconia species separated from an Aplysia sea hare","Journal of the Chemical Society, Perkin Transactions 1","2001","","22","3046","","10.1039/b104337b","","","1.5418","CuKα","","0.0532","0.0437","","","0.1055","0.1135","","","","","","1.06","","","","has coordinates","180499","2020-10-21","18:00:00","" "7216879","8.8741","0.0004","20.104","0.001","12.2989","0.0006","90","","101.637","0.001","90","","2149.08","0.18","153","","153","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H23 Br O6 -","- C24 H23 Br O6 -","- C96 H92 Br4 O24 -","4","1","","Rozek, Tomas; Bowie, John H.; Pyke, Simon M.; Skelton, Brian W.; White, Allan H.","A regio- and stereo-selective synthesis of 2-hydroxy-3-methylochromycinone in three steps from 2-bromo-5-acetoxy-1,4-naphthoquinone and 1-acetoxy-3,3-dimethyl-5-vinylcyclohexa-1,5-diene†","Journal of the Chemical Society, Perkin Transactions 1","2001","","15","1826","","10.1039/b101756j","","","0.71073","MoKα","","0.064","0.03","","0.031","","0.028","","","0.894","","","1.02","","","","has coordinates","176432","2020-10-21","18:00:00","" "7216880","13.645","0.002","6.18","0.001","18.791","0.003","90","","94.73","0.01","90","","1579.2","0.4","290","2","290","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C13 H23 N O3 Si -","- C13 H23 N O3 Si -","- C52 H92 N4 O12 Si4 -","4","2","","Blakemore, Paul R.; Kim, Sung-Kee; Schulze, Volker K.; White, James D.; Yokochi, Alexandre F. T.","Asymmetric synthesis of (+)-loline, a pyrrolizidine alkaloid from rye grass and tall fescue","Journal of the Chemical Society, Perkin Transactions 1","2001","","15","1831","","10.1039/b103936a","","","1.54178","CuKα","","0.1247","0.0678","","","0.1551","0.188","","","","","","1.06","","","","has coordinates,has disorder","180499","2020-10-21","18:00:00","" "7216881","14.546","0.001","6.262","0.001","35.155","0.003","90","","98.72","0.01","90","","3165.2","0.6","290","2","290","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C13 H25 N O4 Si -","- C13 H25 N O4 Si -","- C104 H200 N8 O32 Si8 -","8","2","","Blakemore, Paul R.; Kim, Sung-Kee; Schulze, Volker K.; White, James D.; Yokochi, Alexandre F. T.","Asymmetric synthesis of (+)-loline, a pyrrolizidine alkaloid from rye grass and tall fescue","Journal of the Chemical Society, Perkin Transactions 1","2001","","15","1831","","10.1039/b103936a","","","1.54178","CuKα","","0.051","0.049","","","0.1297","0.1329","","","","","","1.04","","","","has coordinates","180499","2020-10-21","18:00:00","" "7216882","8.48","0.001","9.322","0.002","20.143","0.003","90","","90","","90","","1592.3","0.5","290","2","290","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C15 H24 B N O4 -","- C15 H24 B N O4 -","- C60 H96 B4 N4 O16 -","4","1","","Blakemore, Paul R.; Kim, Sung-Kee; Schulze, Volker K.; White, James D.; Yokochi, Alexandre F. T.","Asymmetric synthesis of (+)-loline, a pyrrolizidine alkaloid from rye grass and tall fescue","Journal of the Chemical Society, Perkin Transactions 1","2001","","15","1831","","10.1039/b103936a","","","1.54178","CuKα","","0.0447","0.0362","","","0.0866","0.0955","","","","","","1.08","","","","has coordinates","180499","2020-10-21","18:00:00","" "7216883","9.649","0.001","9.649","0.001","20.808","0.001","90","","90","","90","","1937.3","0.3","290","2","290","2","","","","","","","","5","P 41","P 4w","76","","","","- C16 H24 N2 O6 S2 -","- C16 H24 N2 O6 S2 -","- C64 H96 N8 O24 S8 -","4","1","","Blakemore, Paul R.; Kim, Sung-Kee; Schulze, Volker K.; White, James D.; Yokochi, Alexandre F. T.","Asymmetric synthesis of (+)-loline, a pyrrolizidine alkaloid from rye grass and tall fescue","Journal of the Chemical Society, Perkin Transactions 1","2001","","15","1831","","10.1039/b103936a","","","1.54178","CuKα","","0.0936","0.0665","","","0.1805","0.1912","","","","","","1.063","","","","has coordinates","180499","2020-10-21","18:00:00","" "7216884","12.132","0.004","8.462","0.003","18.708","0.006","90","","102.806","0.005","90","","1872.8","1.1","168","2","168","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C24 H20 N2 O2 -","- C24 H20 N2 O2 -","- C96 H80 N8 O8 -","4","1","","Katritzky, Alan R.; Xu, Yong-Jiang; He, Hai-Ying; Steel, Peter J.","Stereoselective syntheses of 1H-imidazo[2,1-a]isoindole-2,5(3H,9bH)-diones†","Journal of the Chemical Society, Perkin Transactions 1","2001","","15","1767","","10.1039/b104060j","","","0.71073","MoKα","","0.0521","0.0345","","","0.0814","0.0861","","","","","","0.963","","","","has coordinates,has disorder","180499","2020-10-21","18:00:00","" "7216885","9.148","0.004","14.796","0.004","16.223","0.004","90","","104.75","0.02","90","","2123.5","1.2","296.2","","","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C24 H12 Br4 -","- C24 H12 Br4 -","- C96 H48 Br16 -","4","1","","Humayun Kabir, S. M.; Hasegawa, Masashi; Kuwatani, Yoshiyuki; Yoshida, Masato; Matsuyama, Haruo; Iyoda, Masahiko","Synthesis of biphenylenes and tetraphenylenes using copper-catalyzed coupling of arylzinc intermediates","Journal of the Chemical Society, Perkin Transactions 1","2001","","2","159","","10.1039/b006375o","","","0.7107","MoKα","","","0.0375","","","","0.0358","","","","","","1.238","","","","has coordinates","176453","2020-10-21","18:00:00","" "7216886","11.665","0.001","9.667","0.001","16.1","0.001","90","","98.06","0.007","90","","1797.6","0.3","296.2","","296.2","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H25 N O3 -","- C20 H25 N O3 -","- C80 H100 N4 O12 -","4","1","","Kishikawa, Keiki; Naruse, Mamoru; Kohmoto, Shigeo; Yamamoto, Makoto; Yamaguchi, Kentaro","Investigation of arene‒arene interaction in stereoselective MCPBA epoxidation","Journal of the Chemical Society, Perkin Transactions 1","2001","","4","462","","10.1039/b004098n","","","1.5418","CuKα","","","0.0591","","","0.0614","","","","","1.911","1.911","","","","","has coordinates","176453","2020-10-21","18:00:00","" "7216887","8.954","0.002","19.678","0.003","8.877","0.002","90","","117.93","0.02","90","","1381.9","0.5","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","5,5'-bis(diphenylphosphino)-2,2'-bithiophene","","- C32 H24 P2 S2 -","- C32 H24 P2 S2 -","- C64 H48 P4 S4 -","2","0.5","","","Novel diphenylphosphine derivatives of 2,2′-bithiophene, 2,2′:5′,2″-terthiophene, 2-(2′-thienyl)pyridine and 2,6-di-2′-thienylpyridine. Crystal structures of 5,5′-bis(diphenylphosphino)-2,2′-bithiophene, diphenyl{5-[6′-(diphenylphosphino)-2′-pyridyl]-2-thienyl}phosphine and 2,6-bis[5′-(diphenylphosphino)-2′-thienyl]pyridine","Journal of the Chemical Society, Perkin Transactions 1","2001","","24","3352","","10.1039/b107389n","","","0.71069","MoKα","","0.0516","0.0411","","","0.1168","0.1298","","","","","","1.103","","","","has coordinates","180499","2020-10-21","18:00:00","" "7216888","9.032","0.002","13.312","0.003","13.577","0.003","85.853","0.018","82.694","0.019","73.772","0.018","1553.5","0.6","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","2,6-bis[(5'-diphenylphosphino)-2'-thienyl]pyridine","","- C37 H27 N P2 S2 -","- C37 H27 N P2 S2 -","- C74 H54 N2 P4 S4 -","2","1","","","Novel diphenylphosphine derivatives of 2,2′-bithiophene, 2,2′:5′,2″-terthiophene, 2-(2′-thienyl)pyridine and 2,6-di-2′-thienylpyridine. Crystal structures of 5,5′-bis(diphenylphosphino)-2,2′-bithiophene, diphenyl{5-[6′-(diphenylphosphino)-2′-pyridyl]-2-thienyl}phosphine and 2,6-bis[5′-(diphenylphosphino)-2′-thienyl]pyridine","Journal of the Chemical Society, Perkin Transactions 1","2001","","24","3352","","10.1039/b107389n","","","0.71069","MoKα","","0.0589","0.0366","","","0.09","0.099","","","","","","1.033","","","","has coordinates","180499","2020-10-21","18:00:00","" "7216889","8.408","0.005","15.978","0.006","20.402","0.007","90","","101.11","0.04","90","","2689","2","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Diphenyl[5-(2'-{6'-diphenylphosphino}pyridyl)-2-thienyl]phosphine","","- C33 H25 N P2 S -","- C33 H25 N P2 S -","- C132 H100 N4 P8 S4 -","4","1","","","Novel diphenylphosphine derivatives of 2,2′-bithiophene, 2,2′:5′,2″-terthiophene, 2-(2′-thienyl)pyridine and 2,6-di-2′-thienylpyridine. Crystal structures of 5,5′-bis(diphenylphosphino)-2,2′-bithiophene, diphenyl{5-[6′-(diphenylphosphino)-2′-pyridyl]-2-thienyl}phosphine and 2,6-bis[5′-(diphenylphosphino)-2′-thienyl]pyridine","Journal of the Chemical Society, Perkin Transactions 1","2001","","24","3352","","10.1039/b107389n","","","0.71069","MoKα","","0.1271","0.0517","","","0.0831","0.1246","","","","","","1.187","","","","has coordinates","180499","2020-10-21","18:00:00","" "7216890","13.818","0.003","16.4","0.006","14.252","0.003","90","","106.1","0.02","90","","3103","1.5","298","","293","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","2,2'4,4'6,6'-hexaiodo-1,1'-biphenyl-3,3',5,5'-tetrol","","- C21 H22 I6 O7 -","- C21 H4 I6 O7 -","- C84 H16 I24 O28 -","4","1","","Anelli, Pier Lucio; Brocchetta, Marino; Maffezzoni, (the late) Costantino; Paoli, Paola; Rossi, Patrizia; Uggeri, Fulvio; Visigalli, Massimo","Syntheses and X-ray crystal structures of derivatives of 2,2′,4,4′,6,6′-hexaiodobiphenyl","Journal of the Chemical Society, Perkin Transactions 1","2001","","10","1175","","10.1039/b009666k","","","0.71069","MoKα","","0.0691","0.0497","","","0.1202","0.1325","","","","","","1.05","","","","has coordinates","180499","2020-10-21","18:00:00","" "7216891","33.1","0.03","9.3","0.02","24.23","0.01","90","","124.92","0.07","90","","6116","15","298","","298","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","3,3',5,5'-tetraethoxy-2,2',4,4',6,6'-hexaiodo-1,1'-biphenyl","","- C20 H20 I6 O4 -","- C20 H20 I6 O4 -","- C160 H160 I48 O32 -","8","1","","Anelli, Pier Lucio; Brocchetta, Marino; Maffezzoni, (the late) Costantino; Paoli, Paola; Rossi, Patrizia; Uggeri, Fulvio; Visigalli, Massimo","Syntheses and X-ray crystal structures of derivatives of 2,2′,4,4′,6,6′-hexaiodobiphenyl","Journal of the Chemical Society, Perkin Transactions 1","2001","","10","1175","","10.1039/b009666k","","","0.71069","MoKα","","0.1311","0.0974","","","0.2147","0.2391","","","","","","1.034","","","","has coordinates","180499","2020-10-21","18:00:00","" "7216892","21.361","0.006","29.226","0.006","8.776","0.003","90","","90","","90","","5479","3","298","","298","","","","","","","","","4","C c c 2","C 2 -2c","37","","3,3'-[(2,2',4,4',6,6'-hexaiodo-1,1'-biphenyl)-3,3' diylbis(oxy)]bis(1,2-propanediol)","","- C18 H16 I6 O6 -","- C18 H10 I6 O6 -","- C144 H80 I48 O48 -","8","1","","Anelli, Pier Lucio; Brocchetta, Marino; Maffezzoni, (the late) Costantino; Paoli, Paola; Rossi, Patrizia; Uggeri, Fulvio; Visigalli, Massimo","Syntheses and X-ray crystal structures of derivatives of 2,2′,4,4′,6,6′-hexaiodobiphenyl","Journal of the Chemical Society, Perkin Transactions 1","2001","","10","1175","","10.1039/b009666k","","","0.71069","MoKα","","0.0869","0.068","","","0.1952","0.2101","","","","","","1.062","","","","has coordinates","180499","2020-10-21","18:00:00","" "7216893","30.542","0.009","12.114","0.002","7.3571","0.001","90","","90","","90","","2722","1","293","2","293","2","","","","","","","synthesis as described","4","P b c a","-P 2ac 2ab","61","","","","- C14 H14 N6 O -","- C14 H14 N6 O -","- C112 H112 N48 O8 -","8","1","","Al-Azmi, Amal; Booth, Brian L.; Carpenter, Robert A.; Carvalho, Alice; Marrelec, Elodie; Pritchard, Robin G.; Proença, M. Fernanda J. R. P.","Facile synthesis of 6-cyano-9-substituted-9H-purines and their ring expansion to 8-(arylamino)-4-imino-3-methylpyrimidino[5,4-d]pyrimidines","Journal of the Chemical Society, Perkin Transactions 1","2001","","20","2532","","10.1039/b106539b","","x-ray","1.54178","CuKα","","0.1572","0.0558","","","0.1258","0.1703","","","","","","0.956","","","","has coordinates","206958","2020-10-21","18:00:00","" "7216894","8.8661","0.0012","10.557","0.0018","14.267","0.003","110.513","0.016","94.713","0.013","91.063","0.012","1244.9","0.4","203","2","203","2","","","","","","","","7","P -1","-P 1","2","","","","- C26.78 H24.99 Cl1.1 N2 O P S -","- C26.796 H25.007 Cl1.102 N2 O P S -","- C53.592 H50.014 Cl2.204 N4 O2 P2 S2 -","2","1","","Alder, Mark J.; Bates, Vanessa M.; Cross, Wendy I.; Flower, Kevin R.; Pritchard, Robin G.","The synthesis and structural characterisation of some azo-containing phosphine chalcogenides and comparison to non-phosphorus-containing analogues","Journal of the Chemical Society, Perkin Transactions 1","2001","","20","2669","","10.1039/b104918f","","","0.71069","MoKα","","0.0704","0.061","","","0.1813","0.1918","","","","","","1.057","","","","has coordinates","176453","2020-10-21","18:00:00","" "7216895","16.037","0.002","7.628","0.001","26.332","0.002","90","","93.86","0.01","90","","3213.9","0.6","295","2","295","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C33 H29 Cl2 N4 O P S -","- C33 H28.853 Cl2 N4 O P S -","- C132 H115.412 Cl8 N16 O4 P4 S4 -","4","1","","Alder, Mark J.; Bates, Vanessa M.; Cross, Wendy I.; Flower, Kevin R.; Pritchard, Robin G.","The synthesis and structural characterisation of some azo-containing phosphine chalcogenides and comparison to non-phosphorus-containing analogues","Journal of the Chemical Society, Perkin Transactions 1","2001","","20","2669","","10.1039/b104918f","","","0.71069","MoKα","","0.1586","0.0543","","","0.1084","0.1432","","","","","","0.99","","","","has coordinates","180499","2020-10-21","18:00:00","" "7216896","5.809","0.004","18.173","0.007","11.54","0.005","90","","96.99","0.04","90","","1209.2","1.1","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C14 H14 N2 O -","- C14 H14 N2 O -","- C56 H56 N8 O4 -","4","1","","Alder, Mark J.; Bates, Vanessa M.; Cross, Wendy I.; Flower, Kevin R.; Pritchard, Robin G.","The synthesis and structural characterisation of some azo-containing phosphine chalcogenides and comparison to non-phosphorus-containing analogues","Journal of the Chemical Society, Perkin Transactions 1","2001","","20","2669","","10.1039/b104918f","","","1.54178","CuKα","","0.075","0.0448","","","0.1322","0.155","","","","","","1.054","","","","has coordinates","180499","2020-10-21","18:00:00","" "7216897","18.942","0.004","20.515","0.003","4.6558","0.001","90","","90","","90","","1809.2","0.6","293","2","293","2","","","","","","","synthesis as described","4","P n a 21","P 2c -2n","33","","","","- C21 H20 N4 O -","- C21 H20 N4 O -","- C84 H80 N16 O4 -","4","1","","Alder, Mark J.; Bates, Vanessa M.; Cross, Wendy I.; Flower, Kevin R.; Pritchard, Robin G.","The synthesis and structural characterisation of some azo-containing phosphine chalcogenides and comparison to non-phosphorus-containing analogues","Journal of the Chemical Society, Perkin Transactions 1","2001","","20","2669","","10.1039/b104918f","","x-ray","1.54178","CuKα","","0.1883","0.085","","","0.1656","0.2121","","","","","","1.07","","","","has coordinates","180499","2020-10-21","18:00:00","" "7216898","21.765","0.007","14.725","0.006","11.857","0.006","90","","90","","90","","3800","3","299.2","","299.2","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C20 H28 O3 S2 -","- C20 H28 O3 S2 -","- C160 H224 O24 S16 -","8","1","","Liu, Chunjian; Bao, Guanglin; Burnell, D. Jean","Synthetic studies toward the kempane diterpenes. Diels–Alder additions to bicyclic dienes","Journal of the Chemical Society, Perkin Transactions 1","2001","","20","2644","","10.1039/b104924k","","","1.5418","CuKα","","0.1125","0.094","","0.092","","0.092","","","6.141","","","6.93","","","","has coordinates","176453","2020-10-21","18:00:00","" "7216899","9.055","0.003","9.055","0.003","18.635","0.006","90","","90","","90","","1527.9","0.9","299.2","","299.2","","","","","","","","","3","P 43","P 4cw","78","","","","- C18 H20 O5 -","- C18 H20 O5 -","- C72 H80 O20 -","4","1","","Liu, Chunjian; Bao, Guanglin; Burnell, D. Jean","Synthetic studies toward the kempane diterpenes. Diels–Alder additions to bicyclic dienes","Journal of the Chemical Society, Perkin Transactions 1","2001","","20","2644","","10.1039/b104924k","","","0.7107","MoKα","","0.0678","0.033","","0.037","","0.033","","","1.285","","","1.36","","","","has coordinates","176453","2020-10-21","18:00:00","" "7216900","6.942","0.007","27.82","0.01","7.998","0.004","90","","94.95","0.07","90","","1538.9","1.8","299.2","","299.2","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C18 H22 O5 -","- C18 H22 O5 -","- C72 H88 O20 -","4","1","","Liu, Chunjian; Bao, Guanglin; Burnell, D. Jean","Synthetic studies toward the kempane diterpenes. Diels–Alder additions to bicyclic dienes","Journal of the Chemical Society, Perkin Transactions 1","2001","","20","2644","","10.1039/b104924k","","","0.7107","MoKα","","0.2044","0.093","","0.1","","0.094","","","2.292","","","3.21","","","","has coordinates","176453","2020-10-21","18:00:00","" "7216901","7.445","0.002","10.865","0.002","13.339","0.001","90","","100.69","0.01","90","","1060.3","0.4","193.2","","","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C23 H27 N O Se -","- C23 H27 N O Se -","- C46 H54 N2 O2 Se2 -","2","1","","Murai, Toshiaki; Suzuki, Akiko; Kato, Shinzi","Aldol-type condensation reactions of lithium eneselenolates generated from selenoamides with aldehydes","Journal of the Chemical Society, Perkin Transactions 1","2001","","20","2711","","10.1039/b100198l","","","0.7107","MoKα","","","0.0487","","","","0.068","","","","","","1.005","","","","has coordinates","176453","2020-10-21","18:00:00","" "7216902","18.8106","0.0012","6.9928","0.0005","13.7165","0.0009","90","","109.118","0.003","90","","1704.7","0.2","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","cis-7,7-ethylenedioxospiro[4,5]decan-3-en-1-yl p-nitrobenzoate","","- C19 H21 N O6 -","- C19 H21 N O6 -","- C76 H84 N4 O24 -","4","1","","Aburel, Pompiliu S.; Rømming, Christian; Ma, Kuangbiao; Undheim, Kjell","Synthesis of α-hydroxy and α-oxospiranes through ruthenium(II)-catalyzed ring-closing metathesis","Journal of the Chemical Society, Perkin Transactions 1","2001","","12","1458","","10.1039/b101462p","","","0.71073","MoKα","","0.0643","0.0481","","","0.1272","0.1433","","","","","","1.037","","","","has coordinates","180500","2020-10-21","18:00:00","" "7216903","19.2045","0.0019","6.591","0.0007","15.0144","0.0015","90","","109.515","0.004","90","","1791.3","0.3","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","cis-8,8-ethylenedioxospiro[4,6]undecan-4-en-1-yl p-nitrobenzoate","","- C20 H23 N O6 -","- C20 H23 N O6 -","- C80 H92 N4 O24 -","4","1","","Aburel, Pompiliu S.; Rømming, Christian; Ma, Kuangbiao; Undheim, Kjell","Synthesis of α-hydroxy and α-oxospiranes through ruthenium(II)-catalyzed ring-closing metathesis","Journal of the Chemical Society, Perkin Transactions 1","2001","","12","1458","","10.1039/b101462p","","","0.71073","MoKα","","0.0688","0.0437","","","0.0983","0.1076","","","","","","1.025","","","","has coordinates","180500","2020-10-21","18:00:00","" "7216904","6.856","0.0007","12.8358","0.0014","20.535","0.002","90","","96.055","0.004","90","","1797","0.3","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","cis-7,7-ethylenedioxospiro[5,5]undecan-3-en-1-yl p-nitrobenzoate","","- C20 H23 N O6 -","- C20 H23 N O6 -","- C80 H92 N4 O24 -","4","1","","Aburel, Pompiliu S.; Rømming, Christian; Ma, Kuangbiao; Undheim, Kjell","Synthesis of α-hydroxy and α-oxospiranes through ruthenium(II)-catalyzed ring-closing metathesis","Journal of the Chemical Society, Perkin Transactions 1","2001","","12","1458","","10.1039/b101462p","","","0.71073","MoKα","","0.0637","0.0467","","","0.124","0.136","","","","","","1.048","","","","has coordinates","180500","2020-10-21","18:00:00","" "7216905","8.3205","0.0008","12.5407","0.0011","18.952","0.0019","99.019","0.004","98.985","0.004","102.447","0.004","1869.8","0.3","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","cis-8,8-ethylenedioxospiro[5,6]dodekan-3-en-1-yl p-nitrobenzoate","","- C21 H25 N O6 -","- C21 H25 N O6 -","- C84 H100 N4 O24 -","4","2","","Aburel, Pompiliu S.; Rømming, Christian; Ma, Kuangbiao; Undheim, Kjell","Synthesis of α-hydroxy and α-oxospiranes through ruthenium(II)-catalyzed ring-closing metathesis","Journal of the Chemical Society, Perkin Transactions 1","2001","","12","1458","","10.1039/b101462p","","","0.71073","MoKα","","0.1304","0.0981","","","0.2874","0.3095","","","","","","1.107","","","","has coordinates","180500","2020-10-21","18:00:00","" "7216906","7.0992","0.0001","18.2612","0.0003","16.496","0.0003","90","","100.472","0.001","90","","2102.92","0.06","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","6-methyl-4,6-diphenyl-2-dicyanomethylene-1,2,5,6-tetrahydronicotinonitrile","","- C25 H22 N4 O -","- C25 H22 N4 O -","- C100 H88 N16 O4 -","4","1","","Karlsen, Hege; Songe, Pål H.; Sunsby, Lise Kristin; Hagen, Lise Cathrine; Kolsaker, Per; Rømming, Christian","Regiochemistry in alkylation, acylation and methoxycarbonylation of alkali salts from 2-substituted alkenylpropanedinitriles","Journal of the Chemical Society, Perkin Transactions 1","2001","","5","497","","10.1039/b009175h","","","0.71073","MoKα","","0.0764","0.0564","","","0.1424","0.1572","","","","","","1.086","","","","has coordinates","180500","2020-10-21","18:00:00","" "7216907","10.4135","0.0002","7.6259","0.0002","14.178","0.0003","90","","96.326","0.001","90","","1119.05","0.04","150","2","150","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","(E)-methyl(1-phenylpropenyl)propanedinitrile","","- C13 H12 N2 -","- C13 H12 N2 -","- C52 H48 N8 -","4","1","","Karlsen, Hege; Songe, Pål H.; Sunsby, Lise Kristin; Hagen, Lise Cathrine; Kolsaker, Per; Rømming, Christian","Regiochemistry in alkylation, acylation and methoxycarbonylation of alkali salts from 2-substituted alkenylpropanedinitriles","Journal of the Chemical Society, Perkin Transactions 1","2001","","5","497","","10.1039/b009175h","","","0.71073","MoKα","","0.0564","0.0487","","0.1247","0.1202","","","","1.069","1.107","1.107","","","","","has coordinates","180500","2020-10-21","18:00:00","" "7216908","8.014","0.004","8.438","0.004","18.463","0.01","89.99","0.02","82.22","0.04","78.06","0.04","1209.8","1.1","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C21 H35 N3 O9 -","- C21 H35 N3 O9 -","- C42 H70 N6 O18 -","2","1","","Brown, Giles A.; Martel, Sarah R.; Wisedale, Richard; Charmant, Jonathan P. H.; Hales, Neil J.; Fishwick, Colin W. G.; Gallagher, Timothy","The azomethine ylide strategy for β-lactam synthesis. An evaluation of alternative pathways for azomethine ylide generation","Journal of the Chemical Society, Perkin Transactions 1","2001","","11","1281","","10.1039/b010050l","","","0.71073","MoKα","","0.0828","0.0429","","0.1008","0.0862","","","","0.965","1.053","1.053","","","","","has coordinates","180500","2020-10-21","18:00:00","" "7216909","9.4566","0.0003","10.7149","0.0004","13.2326","0.0004","89.975","0.002","79.123","0.002","65.1932","0.0012","1190.56","0.07","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C23 H32 N6 O2 S -","- C23 H32 N6 O2 S -","- C46 H64 N12 O4 S2 -","2","1","","Kyne, Graham M.; Light, Mark E.; Hursthouse, Mike B.; Mendoza, Javier de; Kilburn, Jeremy D.","Enantioselective amino acid recognition using acyclic thiourea receptors","Journal of the Chemical Society, Perkin Transactions 1","2001","","11","1258","","10.1039/b102298a","","","0.71073","MoKα","","0.0529","0.0429","","","0.0976","0.1023","","","","","","1.081","","","","has coordinates","180500","2020-10-21","18:00:00","" "7216910","11.7867","0.0003","15.9615","0.0004","33.1308","0.0009","90","","90","","90","","6233","0.3","150","2","150","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C54 H84 N8 O6 Si4 -","- C54 H84 N8 O6 Si4 -","- C216 H336 N32 O24 Si16 -","4","1","","Andresen, Geir; Eriksen, Aud Berglen; Dalhus, Bjørn; Gundersen, Lise-Lotte; Rise, Frode","Synthesis of 6-substituted purin-2-ones with potential cytokinin activity","Journal of the Chemical Society, Perkin Transactions 1","2001","","14","1662","","10.1039/b101327k","","","0.71073","MoKα","","0.0764","0.0581","","","0.1477","0.1619","","","","","","1.038","","","","has coordinates","180500","2020-10-21","18:00:00","" "7216911","9.599","0.012","6.542","0.008","12.017","0.014","90","","99.615","0.01","90","","744","1.6","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C15 H18 N2 O2 -","- C15 H18 N2 O2 -","- C30 H36 N4 O4 -","2","1","","Harwood, Laurence M.; Drew, Michael G. B.; Hughes, David J.; Vickers, Richard J.","Diastereocontrolled Strecker reaction using (S)-5-phenylmorpholin-2-one","Journal of the Chemical Society, Perkin Transactions 1","2001","","14","1581","","10.1039/b104052a","","","0.71073","MoKα","","0.1018","0.0686","","","0.1937","0.2227","","","","","","0.717","","","","has coordinates","180500","2020-10-21","18:00:00","" "7216912","9.685","0.004","21.585","0.005","7.745","0.004","90","","90","","90","","1619.1","1.1","296.2","","296.2","","","","","","","","synthesis","6","P 21 21 21","P 2ac 2ab","19","Methyl (2E,4S,5S)-4-chloro-5-(4-methylphenylsulfonylamino)hex-2-enoate","","","- C14 H18 Cl N O4 S -","- C14 H18 Cl N O4 S -","- C56 H72 Cl4 N4 O16 S4 -","4","1","","Oishi, Shinya; Tamamura, Hirokazu; Yamashita, Masaki; Odagaki, Yoshihiko; Hamanaka, Nobuyuki; Otaka, Akira; Fujii, Nobutaka","Stereoselective synthesis of a set of two functionalized (E)-alkene dipeptide isosteres of L-amino acid-L-Glu and L-amino acid-D-Glu","Journal of the Chemical Society, Perkin Transactions 1","2001","","19","2445","","10.1039/b103833h","","","1.5418","CuKα","","","0.0519","","","0.0656","","","","","5.24","5.24","","","","","has coordinates","176453","2020-10-21","18:00:00","" "7216913","11.78","0.008","35.92","0.01","6.24","0.01","90","","90","","90","","2640","5","296.2","","296.2","","","","","","","","synthesis","5","P 21 21 21","P 2ac 2ab","19","Mts-L-Phe-Y[(E)-CH=CH]-D-Glu(OMe)-OMe","","","- C26 H33 N O6 S -","- C26 H33 N O6 S -","- C104 H132 N4 O24 S4 -","4","1","","Oishi, Shinya; Tamamura, Hirokazu; Yamashita, Masaki; Odagaki, Yoshihiko; Hamanaka, Nobuyuki; Otaka, Akira; Fujii, Nobutaka","Stereoselective synthesis of a set of two functionalized (E)-alkene dipeptide isosteres of L-amino acid-L-Glu and L-amino acid-D-Glu","Journal of the Chemical Society, Perkin Transactions 1","2001","","19","2445","","10.1039/b103833h","","","1.5418","CuKα","","","0.0957","","","0.1005","","","","","3.506","3.506","","","","","has coordinates","176453","2020-10-21","18:00:00","" "7216914","22.773","0.009","6.899","0.004","13.08","0.002","90","","103.47","0.02","90","","1998.5","1.4","293","2","293","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C22 H36 O4 -","- C21.978 H36.2 O4 -","- C87.912 H144.8 O16 -","4","0.5","","Opris, Dorina; Grosu, Ion; Toupet, Loïc; Plé, Gérard; Terec, Anamaria; Mager, Sorin; Muntean, Luminita","Synthesis and stereochemistry of new tetraspiro-1,3-dioxanes","Journal of the Chemical Society, Perkin Transactions 1","2001","","19","2413","","10.1039/b104604g","","","0.71069","MoKα","","0.1564","0.0741","","","0.1915","0.2321","","","","","","1.054","","","","has coordinates,has disorder","180500","2020-10-21","18:00:00","" "7216915","6.077","0.001","83.01","0.02","6.219","0.001","90","","117.14","0.01","90","","2791.8","1","293","2","293","2","","","","","","","","3","I 1 a 1","I -2ya","9","","","","- C34 H44 O4 -","- C34 H44 O4 -","- C136 H176 O16 -","4","1","","Opris, Dorina; Grosu, Ion; Toupet, Loïc; Plé, Gérard; Terec, Anamaria; Mager, Sorin; Muntean, Luminita","Synthesis and stereochemistry of new tetraspiro-1,3-dioxanes","Journal of the Chemical Society, Perkin Transactions 1","2001","","19","2413","","10.1039/b104604g","","","0.71069","MoKα","","0.0781","0.0382","","","0.0875","0.0996","","","","","","1.015","","","","has coordinates","206958","2020-10-21","18:00:00","" "7216916","7.1914","0.0002","7.6935","0.0003","10.8709","0.0005","97.588","0.002","100.393","0.002","112.749","0.003","531.89","0.04","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C12 H20 O2 -","- C12 H20 O2 -","- C24 H40 O4 -","2","1","","Opris, Dorina; Grosu, Ion; Toupet, Loïc; Plé, Gérard; Terec, Anamaria; Mager, Sorin; Muntean, Luminita","Synthesis and stereochemistry of new tetraspiro-1,3-dioxanes","Journal of the Chemical Society, Perkin Transactions 1","2001","","19","2413","","10.1039/b104604g","","","0.71069","MoKα","","0.0498","0.0415","","","0.1074","0.1138","","","","","","1.056","","","","has coordinates","180500","2020-10-21","18:00:00","" "7216917","13.524","0.003","22.784","0.005","14.838","0.003","90","","112.98","0.03","90","","4209.2","1.8","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C23 H23 O P Se2 -","- C23 H23 O P Se2 -","- C184 H184 O8 P8 Se16 -","8","2","","Li, J. L.; Meng, J. B.; Wang, Y. M.; Wang, J. T.; Matsuura, T.","Synthesis of phosphorus- and selenium-containing macrocycles and their complexation with Pd(II)Cl2","Journal of the Chemical Society, Perkin Transactions 1","2001","","9","1140","","10.1039/b005045h","","","0.71073","MoKα","","0.1628","0.063","","","0.1643","0.1876","","","","","","0.968","","","","has coordinates","180500","2020-10-21","18:00:00","" "7216918","7.655","0.002","15.047","0.003","20.023","0.004","72.73","0.03","83.49","0.03","80.64","0.03","2167.9","0.9","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C22 H30 Cl2 O8 P2 Pd Se2 -","- C22 Cl2 O8 P2 Pd Se2 -","- C66 Cl6 O24 P6 Pd3 Se6 -","3","1.5","","Li, J. L.; Meng, J. B.; Wang, Y. M.; Wang, J. T.; Matsuura, T.","Synthesis of phosphorus- and selenium-containing macrocycles and their complexation with Pd(II)Cl2","Journal of the Chemical Society, Perkin Transactions 1","2001","","9","1140","","10.1039/b005045h","","","0.71073","MoKα","","0.0838","0.0607","","","0.1662","0.1774","","","","","","1.004","","","","has coordinates","180500","2020-10-21","18:00:00","" "7216919","8.294","0.002","8.305","0.002","18.438","0.004","100.38","0.03","96.14","0.03","102.78","0.03","1204","0.5","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H29 O P Se2 -","- C26 H29 O P Se2 -","- C52 H58 O2 P2 Se4 -","2","1","","Li, J. L.; Meng, J. B.; Wang, Y. M.; Wang, J. T.; Matsuura, T.","Synthesis of phosphorus- and selenium-containing macrocycles and their complexation with Pd(II)Cl2","Journal of the Chemical Society, Perkin Transactions 1","2001","","9","1140","","10.1039/b005045h","","","0.71073","MoKα","","0.1133","0.0627","","","0.1742","0.1913","","","","","","1.121","","","","has coordinates","180500","2020-10-21","18:00:00","" "7216920","5.6023","0.0001","9.0705","0.0002","11.2383","0.0003","100.203","0.001","99.784","0.001","99.323","0.001","542.9","0.02","150","2","150","2","","","","","","","","3","P -1","-P 1","2","","trans.7,7-Ethylenedioxybicyclo(4.4.0)decan-3-one","","- C12 H18 O3 -","- C12 H18 O3 -","- C24 H36 O6 -","2","1","","Aburel, Pompiliu S.; Rømming, Christian; Undheim, Kjell","Rhodium(II)-carbenoid C‒H insertion reactions in the synthesis of α,β′-dioxospirane systems","Journal of the Chemical Society, Perkin Transactions 1","2001","","9","1024","","10.1039/b100179p","","","0.71073","MoKα","","0.0434","0.0389","","0.1168","0.1115","","","","1.118","1.122","1.122","","","","","has coordinates","180500","2020-10-21","18:00:00","" "7216921","5.4613","0.0009","16.035","0.003","20.772","0.003","90","","90","","90","","1819","0.5","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","trans-7,7-(ethylenedioxy)bicyclo(4.4.0)dec-3-yl p-nitrobenzoate","","- C20 H25 N O6 -","- C20 H25 N O6 -","- C80 H100 N4 O24 -","4","1","","Aburel, Pompiliu S.; Rømming, Christian; Undheim, Kjell","Rhodium(II)-carbenoid C‒H insertion reactions in the synthesis of α,β′-dioxospirane systems","Journal of the Chemical Society, Perkin Transactions 1","2001","","9","1024","","10.1039/b100179p","","","0.71073","MoKα","","0.0548","0.0379","","","0.0873","0.1053","","","","","","1.033","","","","has coordinates","180500","2020-10-21","18:00:00","" "7216922","16.4923","0.0015","13.9235","0.0011","19.913","0.005","90","","92.856","0.014","90","","4567","1.3","288","","288","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C49 H57 Cl K N O10 -","- C49 H42 Cl K N O10 -","- C196 H168 Cl4 K4 N4 O40 -","4","1","","Seung Kim, Jong; Shon, Ok Jae; Sim, Wonbo; Kyu Kim, Sun; Cho, Moon Hwan; Kim, Jin-Gyu; Suh, Il-Hwan; Kim, Dong Won","Picolyl-armed 1,3-alternate calix[4]areneazacrown ethers","Journal of the Chemical Society, Perkin Transactions 1","2001","","1","31","","10.1039/b006801m","","","0.71069","MoKα","","0.2128","0.0863","","","0.2096","0.273","","","","","","1.016","","","","has coordinates","194050","2020-10-21","18:00:00","" "7216923","18.582","0.005","10.594","0.004","22.431","0.008","90","","90","","90","","4416","3","291","2","291","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C26 H24 O6 -","- C26 H24 O6 -","- C208 H192 O48 -","8","1","","Utley, James H. P.; Ramesh, Shalini; Salvatella, Xavier; Szunerits, Sabine; Motevalli, Majid; Nielsen, Merete F.","Electro-organic reactions. Part 54. Quinodimethane chemistry. Part 2. Electrogeneration and reactivity of o-quinodimethanes","Journal of the Chemical Society, Perkin Transactions 2","2001","","2","153","","10.1039/b007476o","","","0.71073","MoKα","","0.3221","0.0656","","","0.0515","0.0722","","","","","","0.637","","","","has coordinates","180500","2020-10-21","18:00:00","" "7216924","21.401","0.017","13.436","0.01","22.04","0.018","90","","95.396","0.016","90","","6309","9","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C65 H86 N2 O7 -","- C65 H82 N2 O7 -","- C260 H328 N8 O28 -","4","1","","Zeng, Xianshun; Weng, Linhong; Chen, Langxing; Leng, Xuebing; Ju, Hongfang; He, Xiwen; Zhang, Zheng-Zhi","The synthesis of some pyridyl functionalized calix[4]arenes as the sensor molecule for silver ion-selective electrodes","Journal of the Chemical Society, Perkin Transactions 2","2001","","4","545","","10.1039/b008114k","","","0.71073","MoKα","","0.2765","0.0834","","","0.187","0.2755","","","","","","0.895","","","","has coordinates","180500","2020-10-21","18:00:00","" "7216925","12.13","0.011","8.81","0.007","14.747","0.012","90","","101.76","0.07","90","","1543","2","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C14 H26 I N O -","- C14 H26 I N O -","- C56 H104 I4 N4 O4 -","4","1","","Kirby, Anthony J.; Komarov, Igor V.; Feeder, Neil","Synthesis, structure and reactions of the most twisted amide","Journal of the Chemical Society, Perkin Transactions 2","2001","","4","522","","10.1039/b008270h","","","0.71069","MoKα","","0.0982","0.0872","","0.1572","0.1473","","","","1.293","1.312","1.312","","","","","has coordinates","180500","2020-10-21","18:00:00","" "7216926","12.527","0.008","14.498","0.004","7.796","0.002","90.05","0.02","90.45","0.04","86.77","0.04","1413.6","1","180","2","180","2","","","","","","","","5","P -1","-P 1","2","","","","- C13 H24 Cl N O2 -","- C13 H24 Cl N O2 -","- C52 H96 Cl4 N4 O8 -","4","2","","Kirby, Anthony J.; Komarov, Igor V.; Feeder, Neil","Synthesis, structure and reactions of the most twisted amide","Journal of the Chemical Society, Perkin Transactions 2","2001","","4","522","","10.1039/b008270h","","","0.71069","MoKα","","0.2124","0.0759","","0.2531","0.1663","","","","1.073","1.209","1.209","","","","","has coordinates","180500","2020-10-21","18:00:00","" "7216927","5.6162","0.0004","13.3544","0.001","18.6704","0.0014","90","","95.74","","90","","1393.28","0.18","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C17 H16 Cl N O -","- C17 H16 Cl N O -","- C68 H64 Cl4 N4 O4 -","4","1","","Rashidi-Ranjbar, Parviz; Taghvaei-Ganjali, Saeed; Wang, Sue-Lein; Liao, Fen-Ling; Heydari, Ali","The conformational diastereomers of 5-substituted-5H-6-chlorodibenzo[a,c]cycloheptene","Journal of the Chemical Society, Perkin Transactions 2","2001","","7","1255","","10.1039/b004919k","","","0.71073","MoKα","","0.1344","0.0663","","","0.1206","0.148","","","","","","1.039","","","","has coordinates","180500","2020-10-21","18:00:00","" "7216928","14.101","0.005","23.237","0.005","8.945","0.003","90","","90","","90","","2931","1.6","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C35 H38 N2 O2 -","- C35 H38 N2 O2 -","- C140 H152 N8 O8 -","4","1","","Foxon, Simon P.; Lindsay Smith, John R.; O’Brien, Peter; Reginato, Gloriana","The synthesis and spectroscopic characterisation of chiral meso-tetraarylmetalloporphyrins bearing meso-pentafluorophenyl groups","Journal of the Chemical Society, Perkin Transactions 2","2001","","7","1145","","10.1039/b100478f","","","0.71069","MoKα","","0.2722","0.0545","","","0.0953","0.153","","","","","","0.961","","","","has coordinates","180500","2020-10-21","18:00:00","" "7216929","10.076","0.002","13.318","0.003","10.721","0.002","90","0","117.39","0","90","0","1277.4","0.5","293","","293","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C15 H12 N2 O2 -","- C15 H12 N2 O2 -","- C60 H48 N8 O8 -","4","1","","Damiani, Elisabetta; Greci, Lucedio; Rizzoli, Corrado","Reaction of indolinonic aminoxyls with nitric oxide","Journal of the Chemical Society, Perkin Transactions 2","2001","","7","1139","","10.1039/b100508l","","","1.54178","CuKα","","0.0914","0.0712","","0.2889","0.2157","","","","1.287","1.163","1.163","","","","","has coordinates","176453","2020-10-21","18:00:00","" "7216930","9.871","0.002","13.901","0.003","10.714","0.002","90","0","115.3","0","90","0","1329.1","0.5","293","","293","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C15 H12 N2 O3 -","- C15 H12 N2 O3 -","- C60 H48 N8 O12 -","4","1","","Damiani, Elisabetta; Greci, Lucedio; Rizzoli, Corrado","Reaction of indolinonic aminoxyls with nitric oxide","Journal of the Chemical Society, Perkin Transactions 2","2001","","7","1139","","10.1039/b100508l","","","1.54178","CuKα","","0.1357","0.0873","","0.3004","0.2311","","","","0.98","1.106","1.106","","","","","has coordinates","176453","2020-10-21","18:00:00","" "7216931","11.281","0.003","17.888","0.003","23.95","0.003","90","0.03","90","0.03","90","0.03","4833","1.6","298","2","298","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C29 H25.5 O4 -","- C29 H25.5 O4 -","- C232 H204 O32 -","8","2","","Apel, Sylke; Nitsche, Silke; Beketov, Kayrat; Seichter, Wilhelm; Seidel, J.; Weber, Edwin","4,4′-(Fluorene-9,9-diyl)diphenol: a new versatile building block for clathrate type and macrocyclic host‒guest inclusion","Journal of the Chemical Society, Perkin Transactions 2","2001","","7","1212","","10.1039/b008451o","","","1.5418","CuKα","","0.1115","0.0638","","0.1907","0.1612","","","","1.048","1.16","1.16","","","","","has coordinates","176453","2020-10-21","18:00:00","" "7216932","9.054","0.003","10.761","0.003","18.539","0.003","90","0.03","90","0.03","90","0.03","1806.3","0.8","133","2","133","2","","","","","","","","3","P 2 21 21","P 2bc 2","18","","","","- C25 H18 O2 -","- C25 H18 O2 -","- C100 H72 O8 -","4","1","","Apel, Sylke; Nitsche, Silke; Beketov, Kayrat; Seichter, Wilhelm; Seidel, J.; Weber, Edwin","4,4′-(Fluorene-9,9-diyl)diphenol: a new versatile building block for clathrate type and macrocyclic host‒guest inclusion","Journal of the Chemical Society, Perkin Transactions 2","2001","","7","1212","","10.1039/b008451o","","","1.5418","CuKα","","0.0621","0.0494","","0.1376","0.1241","","","","1.034","1.064","1.064","","","","","has coordinates","180500","2020-10-21","18:00:00","" "7216933","11.338","0.003","12.733","0.003","14.245","0.003","90","0.03","94.45","0.03","90","0.03","2050.3","0.8","133","2","133","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C27 H18 N O2 -","- C27 H18 N O2 -","- C108 H72 N4 O8 -","4","1","","Apel, Sylke; Nitsche, Silke; Beketov, Kayrat; Seichter, Wilhelm; Seidel, J.; Weber, Edwin","4,4′-(Fluorene-9,9-diyl)diphenol: a new versatile building block for clathrate type and macrocyclic host‒guest inclusion","Journal of the Chemical Society, Perkin Transactions 2","2001","","7","1212","","10.1039/b008451o","","","1.5418","CuKα","","0.0457","0.0414","","0.1097","0.1066","","","","1.198","1.223","1.223","","","","","has coordinates","180500","2020-10-21","18:00:00","" "7216934","12.802","0.007","10.93","0.002","21.704","0.006","90","","90.39","0.03","90","","3036.9","1.9","183","2","183","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C77.5 H66 N O8.5 -","- C77.5 H66 N O8.5 -","- C155 H132 N2 O17 -","2","0.5","","Apel, Sylke; Nitsche, Silke; Beketov, Kayrat; Seichter, Wilhelm; Seidel, J.; Weber, Edwin","4,4′-(Fluorene-9,9-diyl)diphenol: a new versatile building block for clathrate type and macrocyclic host‒guest inclusion","Journal of the Chemical Society, Perkin Transactions 2","2001","","7","1212","","10.1039/b008451o","","","0.7114","MoKα","","0.1361","0.0832","","0.2983","0.2377","","","","1.028","1.059","1.059","","","","","has coordinates","176453","2020-10-21","18:00:00","" "7216935","12.815","0.003","10.963","0.003","21.673","0.004","90","","90.14","0.02","90","","3044.8","1.2","183","2","183","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C77.5 H66 N O8.5 -","- C77.5 H66 N O8.5 -","- C155 H132 N2 O17 -","2","0.5","","Apel, Sylke; Nitsche, Silke; Beketov, Kayrat; Seichter, Wilhelm; Seidel, J.; Weber, Edwin","4,4′-(Fluorene-9,9-diyl)diphenol: a new versatile building block for clathrate type and macrocyclic host‒guest inclusion","Journal of the Chemical Society, Perkin Transactions 2","2001","","7","1212","","10.1039/b008451o","","","0.71073","MoKα","","0.2204","0.1124","","0.3999","0.3045","","","","1.071","1.241","1.241","","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00","" "7216936","12.804","0.001","10.892","0.006","21.865","","90","0.03","90.47","","90","","3049.2","1.7","183","2","183","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C78.5 H66 O8.5 -","- C78.5 H66 O8.5 -","- C157 H132 O17 -","2","0.5","","Apel, Sylke; Nitsche, Silke; Beketov, Kayrat; Seichter, Wilhelm; Seidel, J.; Weber, Edwin","4,4′-(Fluorene-9,9-diyl)diphenol: a new versatile building block for clathrate type and macrocyclic host‒guest inclusion","Journal of the Chemical Society, Perkin Transactions 2","2001","","7","1212","","10.1039/b008451o","","","0.7114","MoKα","","0.1123","0.0859","","0.285","0.2505","","","","1.042","1.08","1.08","","","","","has coordinates","176453","2020-10-21","18:00:00","" "7216937","9.475","0.002","13.591","0.002","26.899","0.004","90","","100","0.01","90","","3411.3","1","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C78 H80 O12 S4 -","- C78 H80 O12 S4 -","- C156 H160 O24 S8 -","2","0.5","","Apel, Sylke; Nitsche, Silke; Beketov, Kayrat; Seichter, Wilhelm; Seidel, J.; Weber, Edwin","4,4′-(Fluorene-9,9-diyl)diphenol: a new versatile building block for clathrate type and macrocyclic host‒guest inclusion","Journal of the Chemical Society, Perkin Transactions 2","2001","","7","1212","","10.1039/b008451o","","","1.54178","CuKα","","0.1911","0.126","","0.3996","0.3329","","","","1.023","1.18","1.18","","","","","has coordinates,has disorder","180500","2020-10-21","18:00:00","" "7216938","15.6139","0.0006","16.7784","0.0008","29.5847","0.0011","90","","91.689","0.002","90","","7747.1","0.6","100","2","100","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C40 H44 O10 S4 -","- C40 H44 O10 S4 -","- C320 H352 O80 S32 -","8","2","","","Experimental and theoretical study of the first thiacalixcrowns and their alkali metal ion complexes","Journal of the Chemical Society, Perkin Transactions 2","2001","","10","1920","","10.1039/b104854f","","","0.71073","MoKα","","0.0897","0.0572","","","0.1249","0.1442","","","","","","1.015","","","","has coordinates","180500","2020-10-21","18:00:00","" "7216939","14.798","0.002","14.798","0.002","40.113","0.008","90","","90","","90","","8784","2","100","2","100","2","","","","","","","","4","P 41 21 2","P 4abw 2nw","92","","","","- C44 H52 O12 S4 -","- C44 H52 O12 S4 -","- C352 H416 O96 S32 -","8","1","","","Experimental and theoretical study of the first thiacalixcrowns and their alkali metal ion complexes","Journal of the Chemical Society, Perkin Transactions 2","2001","","10","1920","","10.1039/b104854f","","","0.71073","MoKα","","0.2036","0.092","","","0.1786","0.2326","","","","","","0.958","","","","has coordinates","180500","2020-10-21","18:00:00","" "7216940","11.858","0.002","7.7841","0.0011","13.366","0.0011","90","0.009","97.595","0.011","90","0.013","1222.9","0.3","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C13 H14 N2 O3 -","- C13 H14 N2 O3 -","- C52 H56 N8 O12 -","4","1","","Heaney, Frances; Rooney, Oliver; Cunningham, Desmond; McArdle, Patrick","Simultaneous double 1,3-dipolar cycloaddition reactions involving bisnitrones or bisdipolarophiles. 1H NMR investigation of the conformational preferences of N-methyl- and N-phenyl-isoxazolidines","Journal of the Chemical Society, Perkin Transactions 2","2001","","3","373","","10.1039/b007164l","","","0.71069","MoKα","","0.0845","0.053","","","0.1283","0.1411","","","","","","1.051","","","","has coordinates","180500","2020-10-21","18:00:00","" "7216941","10.628","0.005","11.108","0.003","11.442","0.005","71.62","0.03","74.82","0.04","85","0.03","1237.1","0.9","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C24 H28 N4 O7 -","- C24 H28 N4 O7 -","- C48 H56 N8 O14 -","2","1","","Heaney, Frances; Rooney, Oliver; Cunningham, Desmond; McArdle, Patrick","Simultaneous double 1,3-dipolar cycloaddition reactions involving bisnitrones or bisdipolarophiles. 1H NMR investigation of the conformational preferences of N-methyl- and N-phenyl-isoxazolidines","Journal of the Chemical Society, Perkin Transactions 2","2001","","3","373","","10.1039/b007164l","","","0.71069","MoKα","","0.1506","0.0836","","","0.219","0.2502","","","","","","0.957","","","","has coordinates","180500","2020-10-21","18:00:00","" "7216942","12.997","0.003","15.552","0.002","15.809","0.003","90","","90","","90","","3195.5","1","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C11 H22 F6 O P3 -","- C11 H22 F6 O P3 -","- C88 H176 F48 O8 P24 -","8","1","","Alder, Roger W.; Butts, Craig P.; Orpen, A. Guy; Read, David","Bridgehead phosphorus chemistry: in‒out inversion, intrabridgehead P · · · P bonding, and reactivity","Journal of the Chemical Society, Perkin Transactions 2","2001","","3","288","","10.1039/b009007g","","","0.71073","MoKα","","0.1158","0.0524","","","0.1261","0.1382","","","","","","0.783","","","","has coordinates","180500","2020-10-21","18:00:00","" "7216943","12.1709","0.0012","21.173","0.003","8.651","0.0007","90","","90","","90","","2229.3","0.4","173","2","173","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C20 H31 F3 O3 P2 S -","- C20 H31 F3 O3 P2 S -","- C80 H124 F12 O12 P8 S4 -","4","1","","Alder, Roger W.; Butts, Craig P.; Orpen, A. Guy; Read, David","Bridgehead phosphorus chemistry: in‒out inversion, intrabridgehead P · · · P bonding, and reactivity","Journal of the Chemical Society, Perkin Transactions 2","2001","","3","288","","10.1039/b009007g","","","0.71073","MoKα","","0.0326","0.0303","","","0.0843","0.0855","","","","","","1.045","","","","has coordinates","180500","2020-10-21","18:00:00","" "7216944","9.0947","0.0003","18.9759","0.0007","12.0451","0.0005","90","","91.296","0.001","90","","2078.21","0.13","173","2","173","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C18 H29 F6 P3 -","- C18 H29 F6 P3 -","- C72 H116 F24 P12 -","4","1","","Alder, Roger W.; Butts, Craig P.; Orpen, A. Guy; Read, David","Bridgehead phosphorus chemistry: in‒out inversion, intrabridgehead P · · · P bonding, and reactivity","Journal of the Chemical Society, Perkin Transactions 2","2001","","3","288","","10.1039/b009007g","","","0.71073","MoKα","","0.0339","0.0327","","0.0865","0.0851","","","","1.054","1.05","1.05","","","","","has coordinates","180500","2020-10-21","18:00:00","" "7216945","7.8764","0.0009","13.8784","0.0018","15.138","0.0017","90","","90","","90","","1654.8","0.3","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C12 H25 F6 P3 -","- C12 H25 F6 P3 -","- C48 H100 F24 P12 -","4","1","","Alder, Roger W.; Butts, Craig P.; Orpen, A. Guy; Read, David; Oliva, Josep M.","Superbasic bridgehead diphosphines: the effects of strain and intrabridgehead P · · · P bonding on phosphine basicity","Journal of the Chemical Society, Perkin Transactions 2","2001","","3","282","","10.1039/b008903f","","","0.71073","MoKα","","0.0259","0.0254","","","0.0669","0.0676","","","","","","1.053","","","","has coordinates","180500","2020-10-21","18:00:00","" "7216946","10.812","0.002","19.228","0.004","19.324","0.003","90","","101.98","0.01","90","","3929.8","1.3","223.2","","223.2","","","","","","","","Synthesis by Inai, et al.","4","P 1 21/n 1","-P 2yn","14","Boc-(Aib-δ^Z^Phe)~2~-Aib-OMe","","","- C38 H53 N5 O9 -","- C38 H51 N5 O9 -","- C152 H204 N20 O36 -","4","1","","Inai, Yoshihito; Oshikawa, Tatsuo; Yamashita, Mitsuji; Hirabayashi, Tadamichi; Ashitaka, Satoru","Solid-state conformations of oligopeptides possessing an -(Aib-ΔZPhe)2- segment","Journal of the Chemical Society, Perkin Transactions 2","2001","","6","892","","10.1039/b100774m","","","1.5418","CuK\a","","0.1483","0.0731","","0.2317","","","","","1.335","","","","","","","has coordinates","288156","2023-12-07","18:40:59","" "7216947","19.099","0.003","19.789","0.002","11.98","0.002","90","","90","","90","","4527.8","1.1","296.2","","296.2","","","","","","","","Synthesis by Inai, et al.","4","P 21 21 21","P 2ac 2ab","19","Boc-L-Pro-(Aib-δ^Z^Phe)~2~-Aib-OMe","","","- C41 H54 N6 O9 -","- C41 H47 N6 O9 -","- C164 H188 N24 O36 -","4","1","","Inai, Yoshihito; Oshikawa, Tatsuo; Yamashita, Mitsuji; Hirabayashi, Tadamichi; Ashitaka, Satoru","Solid-state conformations of oligopeptides possessing an -(Aib-ΔZPhe)2- segment†","Journal of the Chemical Society, Perkin Transactions 2","2001","","6","892","","10.1039/b100774m","","","1.5418","CuKα","","0.1934","0.1177","","0.3287","","","","","1.973","","","","","","","has coordinates","176453","2020-10-21","18:00:00","" "7216948","11.023","0.001","16.872","0.001","16.682","0.001","90","","107.57","0.01","90","","2957.8","0.4","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C30 H20 Cl6 N2 O4 -","- C30 H20 Cl6 N2 O4 -","- C120 H80 Cl24 N8 O16 -","4","1","","Singh, Nakshatra B.; Srivastava, Archana; Fröhlich, Roland","Single crystal formation by solid state reaction between 8-hydroxyquinoline and 2,4,5-trichlorophenol","Journal of the Chemical Society, Perkin Transactions 2","2001","","5","838","","10.1039/b001412p","","","0.71073","MoKα","","0.0688","0.0414","","","0.091","0.1039","","","","","","1.021","","","","has coordinates","180500","2020-10-21","18:00:00","" "7216949","13.96","0.005","5.954","0.002","14.181","0.005","90","","104.42","0.04","90","","1141.6","0.7","150","2","150","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","PYRROLIZIN-3-ONE","","- C7 H5 N O -","- C7 H5 N O -","- C56 H40 N8 O8 -","8","1","","Blockhuys, Frank; Hinchley, Sarah L.; Robertson, Heather E.; Blake, Alexander J.; McNab, Hamish; Despinoy, Xavier L. M.; Harris, Steven G.; Rankin, David W. H.","Pyrrolizin-3-one and its 1,2-dihydro derivative: structures of the free molecules determined by electron diffraction and ab initio calculations and in the crystal by X-ray diffractionElectronic supplementary information (ESI) available: further experimental data. See http://www.rsc.org/suppdata/p2/b1/b102475m/","Journal of the Chemical Society, Perkin Transactions 2","2001","","11","2195","","10.1039/b102475m","","","0.71073","MoKa","","0.0669","0.0531","","0.1676","0.1408","","","","1.037","1.042","1.042","","","","","has coordinates","180500","2020-10-21","18:00:00","" "7216950","6.629","0.005","12.996","0.009","7.373","0.005","90","","109.78","0.05","90","","597.7","0.8","150","2","150","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C7 H7 N O -","- C7 H7 N O -","- C28 H28 N4 O4 -","4","1","","Blockhuys, Frank; Hinchley, Sarah L.; Robertson, Heather E.; Blake, Alexander J.; McNab, Hamish; Despinoy, Xavier L. M.; Harris, Steven G.; Rankin, David W. H.","Pyrrolizin-3-one and its 1,2-dihydro derivative: structures of the free molecules determined by electron diffraction and ab initio calculations and in the crystal by X-ray diffractionElectronic supplementary information (ESI) available: further experimental data. See http://www.rsc.org/suppdata/p2/b1/b102475m/","Journal of the Chemical Society, Perkin Transactions 2","2001","","11","2195","","10.1039/b102475m","","","0.71073","MoKα","","0.0415","0.034","","0.0937","0.0874","","","","1.089","1.123","1.123","","","","","has coordinates","180500","2020-10-21","18:00:00","" "7216951","12.792","0.003","8.8111","0.0017","31.303","0.006","90","","90","","90","","3528.2","1.3","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C19 H16 N2 O2 S -","- C19 H16 N2 O2 S -","- C152 H128 N16 O16 S8 -","8","1","","Otazo-Sánchez, Elena; Pérez-Marín, Leonel; Estévez-Hernández, Osvaldo; Rojas-Lima, Susana; Alonso-Chamarro, Julián","Aroylthioureas: new organic ionophores for heavy-metal ion selective electrodes","Journal of the Chemical Society, Perkin Transactions 2","2001","","11","2211","","10.1039/b102029n","","","0.71073","MoKα","","0.145","0.0785","","","0.1802","0.2535","","","","","","0.954","","","","has coordinates","180500","2020-10-21","18:00:00","" "7216952","7.3964","0.0006","10.3444","0.0009","34.536","0.003","90","","90","","90","","2642.4","0.4","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C12 H16 N2 O2 S -","- C12 H16 N2 O2 S -","- C96 H128 N16 O16 S8 -","8","1","","Otazo-Sánchez, Elena; Pérez-Marín, Leonel; Estévez-Hernández, Osvaldo; Rojas-Lima, Susana; Alonso-Chamarro, Julián","Aroylthioureas: new organic ionophores for heavy-metal ion selective electrodes","Journal of the Chemical Society, Perkin Transactions 2","2001","","11","2211","","10.1039/b102029n","","","0.71073","MoKα","","0.0444","0.0313","","","0.077","0.0819","","","","","","0.996","","","","has coordinates","180500","2020-10-21","18:00:00","" "7216953","21.959","0.002","13.723","0.001","17.149","0.001","90","","108.216","0.004","90","","4908.8","0.6","293","2","293","2","","","","","","","","3","C 1 c 1","C -2yc","9","","","","- C32 H26 O2.5 -","- C32 H24 O2.5 -","- C256 H192 O20 -","8","2","","Caira, Mino R.; Nassimbeni, Luigi R.; Toda, Fumio; Vujovic, Dejana","Inclusion by a diol host compound: structure and dynamics of volatile guest exchange","Journal of the Chemical Society, Perkin Transactions 2","2001","","11","2119","","10.1039/b105248a","","","0.7107","MoKα","","0.1567","0.1059","","","0.2804","0.3481","","","","","","1.043","","","","has coordinates","182221","2020-10-21","18:00:00","" "7216954","8.3054","0.0002","15.3908","0.0004","11.452","0.0003","90","","94.892","0.001","90","","1458.54","0.06","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C38 H30 O4 -","- C38 H30 O4 -","- C76 H60 O8 -","2","0.5","","Caira, Mino R.; Nassimbeni, Luigi R.; Toda, Fumio; Vujovic, Dejana","Inclusion by a diol host compound: structure and dynamics of volatile guest exchange","Journal of the Chemical Society, Perkin Transactions 2","2001","","11","2119","","10.1039/b105248a","","","0.7107","MoKα","","0.1043","0.0587","","","0.1437","0.1679","","","","","","1.045","","","","has coordinates","180500","2020-10-21","18:00:00","" "7216955","8.2907","0.0004","16.0716","0.0009","11.4225","0.0004","90","","93.061","0.003","90","","1519.82","0.12","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C38 H30 O4 -","- C38 H30 O4 -","- C76 H60 O8 -","2","0.5","","Caira, Mino R.; Nassimbeni, Luigi R.; Toda, Fumio; Vujovic, Dejana","Inclusion by a diol host compound: structure and dynamics of volatile guest exchange","Journal of the Chemical Society, Perkin Transactions 2","2001","","11","2119","","10.1039/b105248a","","","0.7107","MoKα","","0.1137","0.0887","","","0.2466","0.2722","","","","","","1.033","","","","has coordinates,has disorder","180500","2020-10-21","18:00:00","" "7216956","8.2043","0.0002","16.0186","0.0005","11.4831","0.0003","90","","94.521","0.002","90","","1504.43","0.07","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C36 H28 O2 S2.53 -","- C36 H28 O2 S2 -","- C72 H56 O4 S4 -","2","0.5","","Caira, Mino R.; Nassimbeni, Luigi R.; Toda, Fumio; Vujovic, Dejana","Inclusion by a diol host compound: structure and dynamics of volatile guest exchange","Journal of the Chemical Society, Perkin Transactions 2","2001","","11","2119","","10.1039/b105248a","","","0.7107","MoKα","","0.0932","0.0733","","","0.2118","0.2286","","","","","","1.026","","","","has coordinates","180500","2020-10-21","18:00:00","" "7216957","15.169","0.004","12.719","0.007","17.684","0.003","90","","114.97","0.01","90","","3093","2","103.2","","103.2","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C33 H41 N O4 S2 -","- C33 H41 N O4 S2 -","- C132 H164 N4 O16 S8 -","4","1","","Moriguchi, Tetsuji; Inoue, Megumi; Yasutake, Mikio; Sinmyozu, Teruo; Sakata, Kazunori; Tsuge, Akihiko","Preparation and structural properties of dithia[3.3.1]metacyclophanes","Journal of the Chemical Society, Perkin Transactions 2","2001","","11","2084","","10.1039/b106154m","","","0.7107","MoKα","","0.0582","0.0582","","","0.069","0.069","","","","","","3.674","","","","has coordinates","176453","2020-10-21","18:00:00","" "7216958","12.9636","0.0005","12.7351","0.0004","19.3901","0.0007","90","","104.053","0.0008","90","","3105.36","0.19","93.2","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C33 H41 N O4 S2 -","- C33 H41 N O4 S2 -","- C132 H164 N4 O16 S8 -","4","1","","Moriguchi, Tetsuji; Inoue, Megumi; Yasutake, Mikio; Sinmyozu, Teruo; Sakata, Kazunori; Tsuge, Akihiko","Preparation and structural properties of dithia[3.3.1]metacyclophanes","Journal of the Chemical Society, Perkin Transactions 2","2001","","11","2084","","10.1039/b106154m","","","0.7107","MoKα","","","0.0314","","","","0.0401","","","","","","1.05","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00","" "7216959","9.7609","0.0006","18.671","0.002","9.1231","0.0005","90.878","0.004","116.678","0.002","83.19","0.003","1473.8","0.2","93.2","","","","","","","","","","","4","P -1","-P 1","2","","","","- C33 H42 O2 S2 -","- C33 H42 O2 S2 -","- C66 H84 O4 S4 -","2","1","","Moriguchi, Tetsuji; Inoue, Megumi; Yasutake, Mikio; Sinmyozu, Teruo; Sakata, Kazunori; Tsuge, Akihiko","Preparation and structural properties of dithia[3.3.1]metacyclophanes","Journal of the Chemical Society, Perkin Transactions 2","2001","","11","2084","","10.1039/b106154m","","","0.7107","MoKα","","","0.0379","","","","0.0491","","","","","","1.085","","","","has coordinates","176453","2020-10-21","18:00:00","" "7216960","18.3159","0.0006","8.4338","0.0002","20.4494","0.0005","90","","104.829","0.001","90","","3053.66","0.14","93.2","","","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C33 H41 F O2 S2 -","- C33 H41 F O2 S2 -","- C132 H164 F4 O8 S8 -","4","1","","Moriguchi, Tetsuji; Inoue, Megumi; Yasutake, Mikio; Sinmyozu, Teruo; Sakata, Kazunori; Tsuge, Akihiko","Preparation and structural properties of dithia[3.3.1]metacyclophanes","Journal of the Chemical Society, Perkin Transactions 2","2001","","11","2084","","10.1039/b106154m","","","0.7107","MoKα","","","0.0301","","","","0.0417","","","","","","1.088","","","","has coordinates","176453","2020-10-21","18:00:00","" "7216961","13.415","0.002","14.115","0.004","16.489","0.006","90","","95.63","0.02","90","","3107.2","1.5","293.2","","293.2","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C33 H43 N O2 S2 -","- C33 H43 N O2 S2 -","- C132 H172 N4 O8 S8 -","4","1","","Moriguchi, Tetsuji; Inoue, Megumi; Yasutake, Mikio; Sinmyozu, Teruo; Sakata, Kazunori; Tsuge, Akihiko","Preparation and structural properties of dithia[3.3.1]metacyclophanes","Journal of the Chemical Society, Perkin Transactions 2","2001","","11","2084","","10.1039/b106154m","","","1.5418","CuKα","","","0.0752","","","","0.0664","","","","","","3.644","","","","has coordinates","176453","2020-10-21","18:00:00","" "7216962","11.497","0.002","16.64","0.003","15.5","0.002","90","","94.727","0.004","90","","2955.2","0.8","93.2","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C33 H42 O3 S2 -","- C33 H42 O3 S2 -","- C132 H168 O12 S8 -","4","1","","Moriguchi, Tetsuji; Inoue, Megumi; Yasutake, Mikio; Sinmyozu, Teruo; Sakata, Kazunori; Tsuge, Akihiko","Preparation and structural properties of dithia[3.3.1]metacyclophanes","Journal of the Chemical Society, Perkin Transactions 2","2001","","11","2084","","10.1039/b106154m","","","0.7107","MoKα","","","0.074","","","","0.2359","","","","","","0.845","","","","has coordinates","176453","2020-10-21","18:00:00","" "7216963","11.9774","0.0009","25.096","0.001","14.9633","0.0005","90","","90.477","0.0004","90","","4497.6","0.4","180.2","","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C26 H35 Na5 O34 S8 -","- C26 H35 Na5 O34 S8 -","- C104 H140 Na20 O136 S32 -","4","1","","Iki, Nobuhiko; Horiuchi, Takayuki; Oka, Hiromi; Koyama, Katsuyoshi; Morohashi, Naoya; Kabuto, Chizuko; Miyano, Sotaro","Energy transfer luminescence of Tb3+ ion complexed with calix[4]arenetetrasulfonate and the thia and sulfonyl analogue. The effect of bridging groupsElectronic supplementary information (ESI) available: emission spectra of Sm3+ and Dy3+ ions complexed with 2; emission spectra of Sm3+, Eu3+ and Dy3+ complexed with 3; continuous variation curves for the Tb3+ complexes with 2 and 3. See http://www.rsc.org/suppdata/p2/b0/b009151k/","Journal of the Chemical Society, Perkin Transactions 2","2001","","11","2219","","10.1039/b009151k","","","0.7107","MoKα","","","0.0567","","","","0.0655","","","","","","1.014","","","","has coordinates","176453","2020-10-21","18:00:00","" "7216964","7.141","0.005","6.945","0.002","18.886","0.005","90","","95.13","0.04","90","","932.9","0.8","153.2","","153.2","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C9 H10 N2 O2 S -","- C9 H10 N2 O2 S -","- C36 H40 N8 O8 S4 -","4","1","","Brigas, Amadeu, F.; Clegg, William; Dillon, Christopher J.; Fonseca, Custodia F. C.; Johnstone, Robert A. W.","Metal-assisted reactions. Part 29. Structure and hydrogenolysis of C‒N bonds in derivatives of aromatic amines. Bond length and electronegativity changes from X-ray crystallographic data","Journal of the Chemical Society, Perkin Transactions 2","2001","","8","1315","","10.1039/b102571f","","","0.7107","MoKα","","","0.0373","","","0.0433","","","","","1.526","1.526","","","","","has coordinates","176453","2020-10-21","18:00:00","" "7216965","8.165","0.002","8.224","0.003","12.933","0.004","98.513","0.016","107.37","0.018","100.413","0.017","796.1","0.4","160","2","160","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H13 N3 O4 S2 -","- C16 H13 N3 O4 S2 -","- C32 H26 N6 O8 S4 -","2","1","","Brigas, Amadeu, F.; Clegg, William; Dillon, Christopher J.; Fonseca, Custodia F. C.; Johnstone, Robert A. W.","Metal-assisted reactions. Part 29. Structure and hydrogenolysis of C‒N bonds in derivatives of aromatic amines. Bond length and electronegativity changes from X-ray crystallographic data","Journal of the Chemical Society, Perkin Transactions 2","2001","","8","1315","","10.1039/b102571f","","","1.54184","CuKα","","0.0378","0.0372","","","0.1005","0.101","","","","","","1.076","","","","has coordinates","180500","2020-10-21","18:00:00","" "7216966","7.111","0.001","6.863","0.001","13.231","0.003","90","","90","0.03","90","","645.7","0.2","213","2","213","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C14 H12 N2 O3 S -","- C14 H12 N2 O3 S -","- C28 H24 N4 O6 S2 -","2","1","","Brigas, Amadeu, F.; Clegg, William; Dillon, Christopher J.; Fonseca, Custodia F. C.; Johnstone, Robert A. W.","Metal-assisted reactions. Part 29. Structure and hydrogenolysis of C‒N bonds in derivatives of aromatic amines. Bond length and electronegativity changes from X-ray crystallographic data","Journal of the Chemical Society, Perkin Transactions 2","2001","","8","1315","","10.1039/b102571f","","","0.71073","MoKα","","0.0361","0.0276","","","0.0603","0.0623","","","","","","0.936","","","","has coordinates","180500","2020-10-21","18:00:00","" "7216967","8.1028","0.0008","8.3652","0.0008","15.7507","0.0016","96.111","0.003","90.83","0.003","93.793","0.003","1058.97","0.18","160","2","160","2","","","","","","","","5","P -1","-P 1","2","","","","- C21 H15 N3 O5 S2 -","- C21 H15 N3 O5 S2 -","- C42 H30 N6 O10 S4 -","2","1","","Brigas, Amadeu, F.; Clegg, William; Dillon, Christopher J.; Fonseca, Custodia F. C.; Johnstone, Robert A. W.","Metal-assisted reactions. Part 29. Structure and hydrogenolysis of C‒N bonds in derivatives of aromatic amines. Bond length and electronegativity changes from X-ray crystallographic data","Journal of the Chemical Society, Perkin Transactions 2","2001","","8","1315","","10.1039/b102571f","","","0.71073","MoKα","","0.0557","0.0393","","","0.1048","0.111","","","","","","1.058","","","","has coordinates","180500","2020-10-21","18:00:00","" "7216968","7.2916","0.0016","21.129","0.005","8.0546","0.0018","90","","97.246","0.005","90","","1231","0.5","160","2","160","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C14 H12 N2 O2 S -","- C14 H12 N2 O2 S -","- C56 H48 N8 O8 S4 -","4","1","","Brigas, Amadeu, F.; Clegg, William; Dillon, Christopher J.; Fonseca, Custodia F. C.; Johnstone, Robert A. W.","Metal-assisted reactions. Part 29. Structure and hydrogenolysis of C‒N bonds in derivatives of aromatic amines. Bond length and electronegativity changes from X-ray crystallographic data","Journal of the Chemical Society, Perkin Transactions 2","2001","","8","1315","","10.1039/b102571f","","","0.6879","synchrotron","","0.0444","0.0402","","","0.1072","0.1096","","","","","","1.091","","","","has coordinates","180500","2020-10-21","18:00:00","" "7216969","17.689","0.003","6.6556","0.0013","11.735","0.002","90","","105.61","0.02","90","","1330.6","0.4","160","2","160","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H13 N5 O -","- C14 H13 N5 O -","- C56 H52 N20 O4 -","4","1","","Brigas, Amadeu, F.; Clegg, William; Dillon, Christopher J.; Fonseca, Custodia F. C.; Johnstone, Robert A. W.","Metal-assisted reactions. Part 29. Structure and hydrogenolysis of C‒N bonds in derivatives of aromatic amines. Bond length and electronegativity changes from X-ray crystallographic data","Journal of the Chemical Society, Perkin Transactions 2","2001","","8","1315","","10.1039/b102571f","","","1.54184","CuKα","","0.0523","0.0416","","","0.0947","0.1028","","","","","","1.043","","","","has coordinates","180500","2020-10-21","18:00:00","" "7216970","11.256","0.004","12.126","0.005","24.781","0.009","86.248","0.006","89.449","0.006","85.085","0.006","3363","2","150","","150","","","","","","","","","4","P -1","-P 1","2","","","","- C64.5 H83.5 N10 O20.25 -","- C64.5 H82.25 N10 O20.25 -","- C129 H164.5 N20 O40.5 -","2","1","","Camiolo, Salvatore; Gale, Philip A.; Ogden, Mark I.; Skelton, Brian W.; White, Allan H.","Solid-state and solution studies of bis-carboxylate binding by bis-amidinium calix[4]arenes†","Journal of the Chemical Society, Perkin Transactions 2","2001","","8","1294","","10.1039/b102831f","","","0.71073","MoKα","","0.113","0.068","","0.082","","0.072","","","1.222","","","1.376","","","","has coordinates","176432","2020-10-21","18:00:00","" "7216971","10.569","0.003","12.071","0.003","27.334","0.007","94.522","0.005","100.971","0.005","95.754","0.005","3389.1","1.5","153","","153","","","","","","","","","4","P -1","-P 1","2","","","","- C71 H102 N4 O13 -","- C71 H101 N4 O13 -","- C142 H202 N8 O26 -","2","1","","Camiolo, Salvatore; Gale, Philip A.; Ogden, Mark I.; Skelton, Brian W.; White, Allan H.","Solid-state and solution studies of bis-carboxylate binding by bis-amidinium calix[4]arenes†","Journal of the Chemical Society, Perkin Transactions 2","2001","","8","1294","","10.1039/b102831f","","","0.71073","MoKα","","0.156","0.098","","0.123","","0.111","","","1.311","","","1.562","","","","has coordinates","176432","2020-10-21","18:00:00","" "7216972","10.568","0.003","7.1","0.002","9.755","0.003","93.28","0.03","106.67","0.04","95.05","0.03","695.8","0.4","295","","295","","","","","","","","","4","P -1","-P 1","2","","","","- C18 H16 N2 O -","- C18 H16 N2 O -","- C36 H32 N4 O2 -","2","1","","Astolfi, Paola; Greci, Lucedio; Rizzoli, Corrado; Sgarabotto, Paolo; Marrosu, Giancarlo","Radical intermediates in the peroxidation of indoles","Journal of the Chemical Society, Perkin Transactions 2","2001","","9","1634","","10.1039/b102915k","","","1.54178","CuKα","","0.0715","0.0362","","0.0678","0.0589","","","","0.898","1.09","1.09","","","","","has coordinates","180500","2020-10-21","18:00:00","" "7216973","6.155","0.003","20.219","0.005","6.556","0.002","90","0","116.08","0.02","90","0","732.8","0.5","295","","295","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C18 H16 N2 O2 -","- C18 H16 N2 O2 -","- C36 H32 N4 O4 -","2","0.5","","Astolfi, Paola; Greci, Lucedio; Rizzoli, Corrado; Sgarabotto, Paolo; Marrosu, Giancarlo","Radical intermediates in the peroxidation of indoles","Journal of the Chemical Society, Perkin Transactions 2","2001","","9","1634","","10.1039/b102915k","","","1.54078","","","0.0469","0.0421","","0.1367","0.1183","","","","1.094","1.121","1.121","","","","","has coordinates","180500","2020-10-21","18:00:00","" "7216974","6.4943","0.0004","8.9209","0.0005","8.024","0.0005","90","","101.817","0.002","90","","455.02","0.05","123","2","123","2","","","","","","","chemical synthesis","3","P 1 21/n 1","-P 2yn","14","","1,4-dimethoxy-2,5-dimethylbenzene","","- C10 H14 O2 -","- C10 H14 O2 -","- C20 H28 O4 -","2","0.5","","Sun, Duoli; Lindeman, Sergey V.; Rathore, Rajendra; Kochi, Jay K.","Intramolecular (electron) delocalization between aromatic donors and their tethered cation‒radicals. Application of electrochemical and structural probes†","Journal of the Chemical Society, Perkin Transactions 2","2001","","9","1585","","10.1039/b103139m","","","0.71073","MoKα","","0.0678","0.0489","","0.1405","0.12","","","","1.108","1.08","1.08","","","","","has coordinates","180500","2020-10-21","18:00:00","" "7216975","7.813","0.0005","7.9994","0.0005","29.763","0.002","90","","90","","90","","1860.2","0.2","93","2","93","2","","","","","","","chemical synthesis","3","P 21 21 21","P 2ac 2ab","19","","1,3-Bis(2',5'-dimethoxy-4'-methyl)propane","","- C21 H28 O4 -","- C21 H28 O4 -","- C84 H112 O16 -","4","1","","Sun, Duoli; Lindeman, Sergey V.; Rathore, Rajendra; Kochi, Jay K.","Intramolecular (electron) delocalization between aromatic donors and their tethered cation‒radicals. Application of electrochemical and structural probes†","Journal of the Chemical Society, Perkin Transactions 2","2001","","9","1585","","10.1039/b103139m","","","0.71073","MoKα","","0.0487","0.0386","","0.1055","0.0943","","","","1.036","1.065","1.065","","","","","has coordinates","180500","2020-10-21","18:00:00","" "7216976","8.073","0.002","26.577","0.005","8.445","0.002","90","","98.99","0.03","90","","1789.7","0.7","123","2","123","2","","","","","","","chemical synthesis","5","P 1 21/m 1","-P 2yb","11","","1,3-Bis(2',5'-dimethoxy-4'-methyl)propane dication-biradical bis(hexachloroantimonate)","","- C21 H28 Cl12 O4 Sb2 -","- C21 H28 Cl12 O4 Sb2 -","- C42 H56 Cl24 O8 Sb4 -","2","0.5","","Sun, Duoli; Lindeman, Sergey V.; Rathore, Rajendra; Kochi, Jay K.","Intramolecular (electron) delocalization between aromatic donors and their tethered cation‒radicals. Application of electrochemical and structural probes†","Journal of the Chemical Society, Perkin Transactions 2","2001","","9","1585","","10.1039/b103139m","","","0.71073","MoKα","","0.0742","0.0472","","0.1081","0.0928","","","","1.152","1.258","1.258","","","","","has coordinates","180500","2020-10-21","18:00:00","" "7216977","22.1995","0.0012","5.827","0.0003","12.6965","0.0007","90","","109.848","0.002","90","","1544.81","0.14","123","2","123","2","","","","","","","chemical synthesis","3","C 1 2/c 1","-C 2yc","15","","2,2',5,5'-tetramethoxy-4,4'-dimethylbiphenyl","","- C18 H22 O4 -","- C18 H22 O4 -","- C72 H88 O16 -","4","0.5","","Sun, Duoli; Lindeman, Sergey V.; Rathore, Rajendra; Kochi, Jay K.","Intramolecular (electron) delocalization between aromatic donors and their tethered cation‒radicals. Application of electrochemical and structural probes†","Journal of the Chemical Society, Perkin Transactions 2","2001","","9","1585","","10.1039/b103139m","","","0.71073","MoKα","","0.1218","0.0584","","0.1851","0.1374","","","","0.982","1.04","1.04","","","","","has coordinates","180500","2020-10-21","18:00:00","" "7216978","7.6596","0.0002","12.8575","0.0003","13.77","0.0003","62.369","0.001","83.19","0.001","83.567","0.001","1190.47","0.05","123","2","123","2","","","","","","","chemical synthesis","5","P -1","-P 1","2","","2,2',5,5'-tetramethoxy-4,4'-dimethylbiphenyl hexachloroantimonate","","- C18 H22 Cl6 O4 Sb -","- C18 H22 Cl6 O4 Sb -","- C36 H44 Cl12 O8 Sb2 -","2","1","","Sun, Duoli; Lindeman, Sergey V.; Rathore, Rajendra; Kochi, Jay K.","Intramolecular (electron) delocalization between aromatic donors and their tethered cation‒radicals. Application of electrochemical and structural probes†","Journal of the Chemical Society, Perkin Transactions 2","2001","","9","1585","","10.1039/b103139m","","","0.71073","MoKα","","0.084","0.0449","","0.0872","0.0696","","","","1.076","1.076","1.076","","","","","has coordinates","180500","2020-10-21","18:00:00","" "7216979","5.076","0.0003","13.9623","0.0009","14.3411","0.0009","77.796","0.002","88.587","0.002","88.641","0.002","992.94","0.11","123","2","123","2","","","","","","","chemical synthesis","3","P -1","-P 1","2","","2,2"",5,5""-tetramethoxy-4,4""-dimethylterphenyl","","- C24 H26 O4 -","- C24 H26 O4 -","- C48 H52 O8 -","2","1","","Sun, Duoli; Lindeman, Sergey V.; Rathore, Rajendra; Kochi, Jay K.","Intramolecular (electron) delocalization between aromatic donors and their tethered cation‒radicals. Application of electrochemical and structural probes†","Journal of the Chemical Society, Perkin Transactions 2","2001","","9","1585","","10.1039/b103139m","","","0.71073","MoKα","","0.217","0.0986","","0.3313","0.2325","","","","1.015","1.2","1.2","","","","","has coordinates,has disorder","180500","2020-10-21","18:00:00","" "7216980","13.4765","0.0002","15.5512","0.0002","13.8393","0.0002","90","","105.944","0.001","90","","2788.81","0.07","123","2","123","2","","","","","","","chemical synthesis","5","P 1 21/c 1","-P 2ybc","14","","2,2"",5,5""-tetramethoxy-4,4""-dimethylterphenyl hexachloroantimonate","","- C24 H26 Cl6 O4 Sb -","- C24 H26 Cl6 O4 Sb -","- C96 H104 Cl24 O16 Sb4 -","4","1","","Sun, Duoli; Lindeman, Sergey V.; Rathore, Rajendra; Kochi, Jay K.","Intramolecular (electron) delocalization between aromatic donors and their tethered cation‒radicals. Application of electrochemical and structural probes†","Journal of the Chemical Society, Perkin Transactions 2","2001","","9","1585","","10.1039/b103139m","","","0.71073","MoKα","","0.0684","0.0367","","0.0853","0.0712","","","","1.04","1.052","1.052","","","","","has coordinates","180500","2020-10-21","18:00:00","" "7216981","7.2182","0.0001","16.6646","0.0003","13.4314","0.0001","90","","103.884","0.001","90","","1568.44","0.04","123","2","123","2","","","","","","","chemical synthesis","5","P 1 21 1","P 2yb","4","","2,2''',5,5'''-tetramethoxy-4,4'''-dimethylquaterphenyl hexachloroantimonate","","- C30 H30 Cl6 O4 Sb -","- C30 H30 Cl6 O4 Sb -","- C60 H60 Cl12 O8 Sb2 -","2","1","","Sun, Duoli; Lindeman, Sergey V.; Rathore, Rajendra; Kochi, Jay K.","Intramolecular (electron) delocalization between aromatic donors and their tethered cation‒radicals. Application of electrochemical and structural probes†","Journal of the Chemical Society, Perkin Transactions 2","2001","","9","1585","","10.1039/b103139m","","","0.71073","MoKα","","0.0839","0.0461","","0.0776","0.0675","","","","1.008","1.038","1.038","","","","","has coordinates","180500","2020-10-21","18:00:00","" "7216982","22.0278","0.001","7.3676","0.0003","14.2868","0.0006","90","","94.883","0.001","90","","2310.22","0.17","93","2","93","2","","","","","","","chemical synthesis","3","C 1 2/c 1","-C 2yc","15","","2,2"",5,5""-tetramethoxy-4,2',3',5',6',4""-hexamethylterphenyl","","- C28 H34 O4 -","- C28 H34 O4 -","- C112 H136 O16 -","4","0.5","","Sun, Duoli; Lindeman, Sergey V.; Rathore, Rajendra; Kochi, Jay K.","Intramolecular (electron) delocalization between aromatic donors and their tethered cation‒radicals. Application of electrochemical and structural probes†","Journal of the Chemical Society, Perkin Transactions 2","2001","","9","1585","","10.1039/b103139m","","","0.71073","MoKα","","0.0519","0.0399","","0.1393","0.1161","","","","1.019","1.081","1.081","","","","","has coordinates","180500","2020-10-21","18:00:00","" "7216983","13.1454","0.0002","13.4568","0.0003","14.1244","0.0003","103.375","0.001","101.858","0.001","116.056","0.001","2044.48","0.08","123","2","123","2","","","","","","","chemical synthesis","5","P -1","-P 1","2","","2,7-Bis(2',5'-dimethoxy-4'-methylphenyl)-9,9-dimethylfluorene hexachloroantimonate dichlormethane solvate","","- C34.76 H37.53 Cl9.53 O4 Sb -","- C34.768 H37.536 Cl9.536 O4 Sb -","- C69.536 H75.072 Cl19.072 O8 Sb2 -","2","1","","Sun, Duoli; Lindeman, Sergey V.; Rathore, Rajendra; Kochi, Jay K.","Intramolecular (electron) delocalization between aromatic donors and their tethered cation‒radicals. Application of electrochemical and structural probes†","Journal of the Chemical Society, Perkin Transactions 2","2001","","9","1585","","10.1039/b103139m","","","0.71073","MoKα","","0.0755","0.0435","","0.1029","0.0894","","","","1.008","1.054","1.054","","","","","has coordinates,has disorder","180500","2020-10-21","18:00:00","" "7216984","15.588","0.005","8.667","0.003","21.798","0.004","90","","109.43","0.02","90","","2777.2","1.4","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","9-(5-nitrofuran-2-ylidene)-2,4,5,7-tetranitrofluorene: dioxane (1:2)","","- C26 H23 N5 O15 -","- C26 H23 N5 O15 -","- C104 H92 N20 O60 -","4","1","","Perepichka, Igor F.; Perepichka, Dmitrii F.; Lyubchik, Svetlana B.; Bryce, Martin R.; Batsanov, Andrei S.; Howard, Judith A. K.","Electron acceptors of the fluorene series. Part 13. 9-(5-Nitrofuran-2-ylidene)- and 9-(5-nitro-2-thienylidene)-2,4,5,7-tetranitrofluorenes: novel π-extended electron acceptors. Synthesis, cyclic voltammetry and X-ray crystal structures for the acceptor and its 4,5-dimethyltetrathiafulvalene complex, and a theoretical study†","Journal of the Chemical Society, Perkin Transactions 2","2001","","9","1546","","10.1039/b103392c","","","1.54184","CuKα","","0.051","0.0366","","","0.0889","0.0968","","","","","","1.062","","","","has coordinates,has disorder","180500","2020-10-21","18:00:00","" "7216985","16.872","0.003","7.755","0.001","23.201","0.006","90","","103.99","0.01","90","","2945.6","1","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","9-(5-nitrofuran-2-ylidene)-2,4,5,7-tetranitrofluorene : 3,4-dimethyltetrathiafulvalene : acetonitrile (2:2:1)","","- C27 H16.5 N5.5 O11 S4 -","- C27 H15 N5.5 O11 S4 -","- C108 H60 N22 O44 S16 -","4","1","","Perepichka, Igor F.; Perepichka, Dmitrii F.; Lyubchik, Svetlana B.; Bryce, Martin R.; Batsanov, Andrei S.; Howard, Judith A. K.","Electron acceptors of the fluorene series. Part 13. 9-(5-Nitrofuran-2-ylidene)- and 9-(5-nitro-2-thienylidene)-2,4,5,7-tetranitrofluorenes: novel π-extended electron acceptors. Synthesis, cyclic voltammetry and X-ray crystal structures for the acceptor and its 4,5-dimethyltetrathiafulvalene complex, and a theoretical study†","Journal of the Chemical Society, Perkin Transactions 2","2001","","9","1546","","10.1039/b103392c","","","0.71073","MoKα","","0.1504","0.0816","","","0.1822","0.212","","","","","","1.065","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00","" "7216986","7.2193","0.0004","14.6988","0.0007","16.6931","0.0008","90","","91.325","0.0001","90","","1770.92","0.15","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","N-(3-hydroxypyridine)-N'-(2-nitrophenyl)oxamide","","- C16 H17 N5 O6 -","- C16 H17 N5 O6 -","- C64 H68 N20 O24 -","4","1","","Padilla-Martínez, Itzia I.; Martínez-Martínez, Francisco J.; García-Báez, Efrén V.; Torres-Valencia, J. Martín; Rojas-Lima, Susana; Höpfl, Herbert","Further insight into three center hydrogen bonding. Participation in tautomeric equilibria of heterocyclic amides","Journal of the Chemical Society, Perkin Transactions 2","2001","","9","1817","","10.1039/b103063a","","","0.71073","MoKα","","0.1061","0.049","","0.1011","0.0922","","","","1.181","1.589","1.589","","","","","has coordinates","180500","2020-10-21","18:00:00","" "7216987","12.825","0.003","15.11","0.003","7.341","0.001","90","","101.02","0.03","90","","1396.3","0.5","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","N-(3-hydroxypyridine)-N'-(2-methoxyphenyl)oxamide","","- C14 H15 N3 O5 -","- C14 H15 N3 O5 -","- C56 H60 N12 O20 -","4","1","","Padilla-Martínez, Itzia I.; Martínez-Martínez, Francisco J.; García-Báez, Efrén V.; Torres-Valencia, J. Martín; Rojas-Lima, Susana; Höpfl, Herbert","Further insight into three center hydrogen bonding. Participation in tautomeric equilibria of heterocyclic amides","Journal of the Chemical Society, Perkin Transactions 2","2001","","9","1817","","10.1039/b103063a","","","0.71073","MoKα","","0.0756","0.0399","","0.1248","0.1118","","","","1.014","1.141","1.141","","","","","has coordinates","211332","2020-10-21","18:00:00","" "7216988","12.6528","0.001","20.1218","0.0015","30.263","0.003","90","","100.815","0.001","90","","7568","1.1","173","2","173","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","L56-Cu(II) complex","","","- C145 H65 Cl3 Cu4 N4 O18 S4 -","- C86 H52 Cl5.97 Cu2 N4 O9 -","- C344 H208 Cl23.88 Cu8 N16 O36 -","4","1","","Yoshida, Noboru; Oshio, Hiroki; Ito, Tasuku","Supramolecular motifs in metal complexes of Schiff bases. Part 6. Topology of two types of self-assembly of bis-N,O-bidentate Schiff base ligands by copper(II) ions","Journal of the Chemical Society, Perkin Transactions 2","2001","","9","1674","1678","10.1039/b103902b","","","0.71073","MoKα","","0.0749","0.052","","","0.141","0.156","","","","","","1.018","","","","has coordinates","275139","2022-05-06","19:54:49","" "7216989","16.3594","0.0008","18.2027","0.0009","24.325","0.0013","84.81","0.001","86.79","0.001","65.321","0.001","6553.7","0.6","173","2","173","2","","","","","","","","7","P -1","-P 1","2","L55-Cu(II) complex","","","- C145 H65 Cl3 Cu4 N8 O18 S4 -","- C145 H88 Cl3 Cu4 N8 O18 S4 -","- C290 H176 Cl6 Cu8 N16 O36 S8 -","2","1","","Yoshida, Noboru; Oshio, Hiroki; Ito, Tasuku","Supramolecular motifs in metal complexes of Schiff bases. Part 6. Topology of two types of self-assembly of bis-N,O-bidentate Schiff base ligands by copper(II) ions","Journal of the Chemical Society, Perkin Transactions 2","2001","","9","1674","1678","10.1039/b103902b","","","0.71073","MoKα","","0.1218","0.0603","","","0.1577","0.1936","","","","","","0.843","","","","has coordinates","275183","2022-05-07","01:32:39","" "7216990","14.414","0.001","19.377","0.002","26.997","0.002","90","","90","","90","","7540.3","1.1","293","","293","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","6-deoxy-6-(1-propylamino)-beta-cyclodextrin","6-deoxy-6-(1-propylamino)cyclomaltoheptaose","","- C45 H97 N O44 -","- C45 H52 N O44.62 -","- C180 H208 N4 O178.48 -","4","1","","Harata, Kazuaki; Takenaka, Yasushi; Yoshida, Noboru","Crystal structures of 6-deoxy-6-monosubstituted β-cyclodextrins. Substituent-regulated one-dimensional arrays of macrocycles†","Journal of the Chemical Society, Perkin Transactions 2","2001","","9","1667","","10.1039/b101521o","","","1.5418","CuKα","","0.1139","0.0948","","","0.2387","0.2593","","","","","","1.072","","","","has coordinates,has disorder","180500","2020-10-21","18:00:00","" "7216991","15.215","0.001","15.862","0.001","15.417","0.001","90","","116.79","0.01","90","","3321.4","0.5","293","","293","","","","","","","","","4","P 1 21 1","P 2yb","4","6-deoxy-6-[(R)-1-cyclohexylethyl]amino-beta-cyclodextrin","6-deoxy-6-[(R)-1-cyclohexylethyl]aminocyclomaltoheptaose","","- C50 H101 N O42 -","- C100 H122 N2 O84 -","- C100 H122 N2 O84 -","1","0.5","","Harata, Kazuaki; Takenaka, Yasushi; Yoshida, Noboru","Crystal structures of 6-deoxy-6-monosubstituted β-cyclodextrins. Substituent-regulated one-dimensional arrays of macrocycles†","Journal of the Chemical Society, Perkin Transactions 2","2001","","9","1667","","10.1039/b101521o","","","1.5418","CuKα","","0.0824","0.0647","","","0.1892","0.2066","","","","","","1.071","","","","has coordinates","180500","2020-10-21","18:00:00","" "7216992","15.019","0.002","9.115","0.001","25.988","0.005","90","","101.96","0.01","90","","3480.5","0.9","293","","293","","","","","","","","","4","P 1 21 1","P 2yb","4","6-deoxy-6-[(R)-1-phenylrthyl]amino-beta-cyclodextrin","6-deoxy-6-[(R)-1-phenylethyl]aminocyclomaltoheptaose","","- C54 H105 N O43 -","- C105.24 H102 N2 O87.24 -","- C105.24 H102 N2 O87.24 -","1","0.5","","Harata, Kazuaki; Takenaka, Yasushi; Yoshida, Noboru","Crystal structures of 6-deoxy-6-monosubstituted β-cyclodextrins. Substituent-regulated one-dimensional arrays of macrocycles†","Journal of the Chemical Society, Perkin Transactions 2","2001","","9","1667","","10.1039/b101521o","","","1.5418","CuKα","","0.0801","0.0739","","","0.1968","0.2061","","","","","","1.086","","","","has coordinates,has disorder","180500","2020-10-21","18:00:00","" "7216993","15.519","0.001","10.124","0.002","23.519","0.004","90","","102.67","0.01","90","","3605.2","1","293","","293","","","","","","","","","4","P 1 21 1","P 2yb","4","6-deoxy-6-[(1R,2S)-1-(2-hydroxy)indanyl]amino-beta-cyclodextrin","6-deoxy-6-[(1R,2S)-1-(2-hydroxy)indamyl]aminocyclomaltoheptaose","","- C51 H108 N O50 -","- C51 H75 N O49.66 -","- C102 H150 N2 O99.32 -","2","1","","Harata, Kazuaki; Takenaka, Yasushi; Yoshida, Noboru","Crystal structures of 6-deoxy-6-monosubstituted β-cyclodextrins. Substituent-regulated one-dimensional arrays of macrocycles†","Journal of the Chemical Society, Perkin Transactions 2","2001","","9","1667","","10.1039/b101521o","","","1.5418","CuKα","","0.0691","0.0668","","","0.1824","0.1875","","","","","","1.048","","","","has coordinates,has disorder","180500","2020-10-21","18:00:00","" "7221271","7.7206","","7.7206","","5.637","","90","","90","","90","","336.008","","","","","","","","","","","","","3","P 42/n m c :2","-P 4ac 2a","137","","(Bi1.85 Zr0.15) O3.075","","- Bi1.85 O3.075 Zr0.15 -","- Bi1.85 O3.075 Zr0.15 -","- Bi7.4 O12.3 Zr0.6 -","4","0.25","","Abrahams, I.; Bush, A.J.; Chan, S.C.M.; Krok, F.; Wrobel, W.","Stabilisation and characterisation of a new betaIII-phase in Zr-doped Bi2 O3","Journal of Materials Chemistry","2001","11","","1715","1721","","","","","","","","","","","","","","","","","","","","","","has coordinates","146552","2020-10-21","18:00:00","" "7221272","5.6277","","5.6277","","5.6277","","90","","90","","90","","178.235","","","","","","","","","","","","","3","F m -3 m","-F 4 2 3","225","","(Bi1.85 Zr0.15) O3.075","","- Bi1.85 O3.075 Zr0.15 -","- Bi1.85 O3.0712 Zr0.15 -","- Bi3.7 O6.1424 Zr0.3 -","2","0.0104167","","Abrahams, I.; Bush, A.J.; Wrobel, W.; Krok, F.; Chan, S.C.M.","Stabilisation and characterisation of a new betaIII-phase in Zr-doped Bi2 O3","Journal of Materials Chemistry","2001","11","","1715","1721","","","","","","","","","","","","","","","","","","","","","","has coordinates","146553","2020-10-21","18:00:00","" "7221273","5.31411","","5.31148","","26.9138","","90","","90","","90","","759.663","","","","","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","Ca4 Mn2 Ti O9.926","","- Ca4 Mn2 O9.926 Ti -","- Ca4 Mn2 O9.926 Ti -","- Ca16 Mn8 O39.704 Ti4 -","4","0.5","","Battle, P.D.; Vente, J.F.; Blundell, S.J.; Coldea, A.I.; Spring, L.E.; Cussen, E.J.; Singleton, J.; Rosseinsky, M.J.","Crystal structure and electronic properties of Ca4 Mn2 Ti O9.93, an n=3 Ruddlesden-Popper compound","Journal of Materials Chemistry","2001","11","","160","167","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "7221274","5.6944","","8.0548","","5.6826","","90","","90","","90","","260.645","","","","","","","","","","","","","5","I m m a","-I 2b 2","74","","La Ba In Mn O6","","- Ba In La Mn O6 -","- Ba In La Mn O6 -","- Ba2 In2 La2 Mn2 O12 -","2","0.125","","Battle, P.D.; Singleton, J.; Coldea, A.I.; Jordan, N.A.; Rosseinsky, M.J.","Synthesis, structural chemistry and magnetic properties of La1+x A1-x In Mn O6-d: A = Ba, Sr; x = 0, 0.2","Journal of Materials Chemistry","2001","11","","1656","1661","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "7221275","5.6686","","8.0397","","5.686","","90","","90","","90","","259.133","","","","","","","","","","","","","5","I m m a","-I 2b 2","74","","(La1.2 Ba0.8) In Mn O6","","- Ba0.8 In La1.2 Mn O6 -","- Ba0.8 In La1.2 Mn O6 -","- Ba1.6 In2 La2.4 Mn2 O12 -","2","0.125","","Battle, P.D.; Coldea, A.I.; Jordan, N.A.; Singleton, J.; Rosseinsky, M.J.","Synthesis, structural chemistry and magnetic properties of La1+x A1-x In Mn O6-d: A = Ba, Sr; x = 0, 0.2","Journal of Materials Chemistry","2001","11","","1656","1661","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "7221276","5.6387","","7.9664","","5.646","","90","","90","","90","","253.619","","","","","","","","","","","","","5","P n m a","-P 2ac 2n","62","","(La1.2 Sr0.8) In Mn O6","","- In La1.2 Mn O6 Sr0.8 -","- In La1.2 Mn O6 Sr0.8 -","- In2 La2.4 Mn2 O12 Sr1.6 -","2","0.25","","Battle, P.D.; Coldea, A.I.; Jordan, N.A.; Rosseinsky, M.J.; Singleton, J.","Synthesis, structural chemistry and magnetic properties of La1+x A1-x In Mn O6-d: A = Ba, Sr; x = 0, 0.2","Journal of Materials Chemistry","2001","11","","1656","1661","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "7221278","3.9858","","3.9858","","21.785","","90","","90","","90","","346.09","","","","","","","","","","","","","4","I 4/m m m","-I 4 2","139","","K2 Sr (Ta2 O7)","","- K2 O7 Sr Ta2 -","- K2 O7 Sr Ta2 -","- K4 O14 Sr2 Ta4 -","2","0.0625","","Crosnier-Lopez, M.P.; le Berre, F.; Fourquet, J.L.","The layered perovskite K2 Sr Ta2 O7: hydration and K(+)/H(+) ion exchange","Journal of Materials Chemistry","2001","11","","1146","1151","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "7221279","5.8894","","5.8894","","14.6476","","90","","90","","120","","439.986","","","","","","","","","","","","","4","P 63/m m c","-P 6c 2c","194","","Ba3 Ce Ru2 O9","","- Ba3 Ce O9 Ru2 -","- Ba3 Ce O9 Ru2 -","- Ba6 Ce2 O18 Ru4 -","2","0.0833333","","Doi, Y.; Wakeshima, M.; Tobo, A.; Hinatsu, Y.; Ohoyama, K.; Yamaguchi, Y.","Crystal structures and magnetic properties of the 6H-perovskites Ba3 Ln Ru2 O9 (Ln = Ce, Pr and Tb)","Journal of Materials Chemistry","2001","11","","3135","3140","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "7221280","5.8855","","5.8855","","14.6071","","90","","90","","120","","438.189","","","","","","","","","","","","","4","P 63/m m c","-P 6c 2c","194","","Ba3 Pr Ru2 O9","","- Ba3 O9 Pr Ru2 -","- Ba3 O9 Pr Ru2 -","- Ba6 O18 Pr2 Ru4 -","2","0.0833333","","Doi, Y.; Wakeshima, M.; Yamaguchi, Y.; Hinatsu, Y.; Tobo, A.; Ohoyama, K.","Crystal structures and magnetic properties of the 6H-perovskites Ba3 Ln Ru2 O9 (Ln= Ce, Pr and Tb)","Journal of Materials Chemistry","2001","11","","3135","3140","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "7221281","3.7571","","3.7571","","8.792","","90","","90","","90","","124.106","","","","","","","","","","","","","4","P 4/m m m","-P 4 2","123","","Tl0.93 Sr2 Co O5","","- Co O5 Sr2 Tl0.93 -","- Co O5 Sr2 Tl0.93 -","- Co O5 Sr2 Tl0.93 -","1","0.0625","","Doumerc, J.P.; Elkaim, E.; Coutanceau, M.; Pouchard, M.; Grenier, J.C.; Demourgues, A.","Crystal structure of the thallium strontium cobaltite Tl Sr2 Co O5 and its relationship to the electronic properties","Journal of Materials Chemistry","2001","11","","78","85","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "7221282","6.8177","","6.8177","","6.8177","","90","","90","","90","","316.894","","","","","","","","","","","","","3","P 41 3 2","P 4bd 2ab 3","213","","Pd2 Mo3 N","","- Mo3 N Pd2 -","- Mo3 N Pd2 -","- Mo12 N4 Pd8 -","4","0.166667","","El-Himri, A.; Sapina, F.; Ibanez, R.; Beltran, A.","Pd2 Mo3 N : a new molybdenum bimetallic interstitial nitride","Journal of Materials Chemistry","2001","11","","2311","2314","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "7221283","13.6965","","13.6965","","8.4231","","90","","90","","120","","1368.43","","","","","","","","","","","","","5","P 6/m c c","-P 6 2c","192","","Sn0.108 H1.08 Al1.016 P1.016 O4.82","","- Al1.016 H1.08 O4.82 P1.016 Sn0.108 -","- Al1.016 O4.82 P1.016 Sn0.108 -","- Al12.192 O57.84 P12.192 Sn1.296 -","12","0.5","","Flavell, W.R.; Nicholson, D.G.; Stahl, K.; Nilsen, M.H.","X-ray powder diffraction and EXAFS studies on Sn A P O - 5 and Cu: Sn A P O - 5","Journal of Materials Chemistry","2001","11","","620","627","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "7221284","13.6935","","13.6935","","8.4689","","90","","90","","120","","1375.27","","","","","","","","","","","","","5","P 6/m c c","-P 6 2c","192","","Sn0.128 H1.788 Al0.906 P0.906 O4.774","","- Al0.906 H1.788 O4.774 P0.906 Sn0.128 -","- Al0.906 O4.774 P0.906 Sn0.128 -","- Al10.872 O57.288 P10.872 Sn1.536 -","12","0.5","","Flavell, W.R.; Nicholson, D.G.; Nilsen, M.H.; Stahl, K.","X-ray powder diffraction and EXAFS studies on Sn A P O - 5 and Cu: Sn A P O - 5","Journal of Materials Chemistry","2001","11","","620","627","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "7221285","13.7579","","13.7579","","8.3604","","90","","90","","120","","1370.45","","","","","","","","","","","","","6","P 6/m c c","-P 6 2c","192","","Sn0.078 Cu0.356 H0.4 Al0.924 P0.924 O4.408","","- Al0.924 Cu0.356 H0.4 O4.408 P0.924 Sn0.078 -","- Al0.924 Cu0.356 O4.408 P0.924 Sn0.078 -","- Al11.088 Cu4.272 O52.896 P11.088 Sn0.936 -","12","0.5","","Flavell, W.R.; Stahl, K.; Nicholson, D.G.; Nilsen, M.H.","X-ray powder diffraction and EXAFS studies on Sn A P O - 5 and Cu: Sn A P O - 5","Journal of Materials Chemistry","2001","11","","620","627","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "7221286","8.4435","","8.4435","","21.636","","90","","90","","120","","1335.83","","","","","","","","","","","","","6","R -3 c :H","-R 3 2""c","167","","(Li0.72 Na0.88) (Ti1.4 Al0.6) (P O4)3","","- Al0.6 Li0.72 Na0.88 O12 P3 Ti1.4 -","- Al0.6 Li0.72 Na0.88 O12 P3 Ti1.4 -","- Al3.6 Li4.32 Na5.28 O72 P18 Ti8.4 -","6","0.166667","","Mouahid, F.E.; Aranda, M.A.G.; Maldonado-Manso, P.; Zahir, M.; Losilla, E.R.; Bruque, S.; Rivera, A.; Santamaria, J.; Leon, C.","Na-Li exchange of Na1+x Ti2-x Alx (P O4)3 (0.6 <= x <= 0.9) NASICON series: a Rietveld and impedance study","Journal of Materials Chemistry","2001","11","","3258","3263","","","","","","","","","","","","","","","","","","","","","","has coordinates","147162","2020-10-21","18:00:00","" "7221287","8.4203","","8.4203","","21.592","","90","","90","","120","","1325.8","","","","","","","","","","","","","6","R -3 c :H","-R 3 2""c","167","","(Li1.09 Na0.71) (Ti1.2 Al0.8) (P O4)3","","- Al0.8 Li1.09 Na0.71 O12 P3 Ti1.2 -","- Al0.8 Li1.091 Na0.71 O12 P3 Ti1.2 -","- Al4.8 Li6.546 Na4.26 O72 P18 Ti7.2 -","6","0.166667","","Mouahid, F.E.; Bruque, S.; Zahir, M.; Maldonado-Manso, P.; Losilla, E.R.; Aranda, M.A.G.; Rivera, A.; Santamaria, J.; Leon, C.","Na-Li exchange of Na1+x Ti2-x Alx (P O4)3 (0.6 <= x <= 0.9) NASICONseries: a Rietveld and impedance study","Journal of Materials Chemistry","2001","11","","3258","3263","","","","","","","","","","","","","","","","","","","","","","has coordinates","147164","2020-10-21","18:00:00","" "7221288","8.4001","","8.4001","","21.55","","90","","90","","120","","1316.88","","","","","","","","","","","","","6","R -3 c :H","-R 3 2""c","167","","(Li1.45 Na0.45) (Ti1.1 Al0.9) (P O4)3","","- Al0.9 Li1.45 Na0.45 O12 P3 Ti1.1 -","- Al0.9 Li1.45 Na0.45 O12 P3 Ti1.1 -","- Al5.4 Li8.7 Na2.7 O72 P18 Ti6.6 -","6","0.166667","","Mouahid, F.E.; Maldonado-Manso, P.; Zahir, M.; Losilla, E.R.; Bruque, S.; Santamaria, J.; Aranda, M.A.G.; Rivera, A.; Leon, C.","Na-Li exchange of Na1+x Ti2-x Alx (P O4)3 (0.6 <= x <= 0.9) NASICONseries: a Rietveld and impedance study","Journal of Materials Chemistry","2001","11","","3258","3263","","","","","","","","","","","","","","","","","","","","","","has coordinates","147166","2020-10-21","18:00:00","" "7221289","11.953","","11.953","","8.4211","","90","","90","","90","","1203.16","","","","","","","","","","","","","5","I 4/m c m","-I 4 2c","140","","Ba3 Cu3 (Sc2.96 In1.04) O12","","- Ba3 Cu3 In1.04 O12 Sc2.96 -","- Ba3 Cu3 In1.04 O12 Sc2.96 -","- Ba12 Cu12 In4.16 O48 Sc11.84 -","4","0.125","","Gregory, D.H.; Weston, D.P.; Mawdsley, P.R.; Daniell, W.; Barker, S.J.","Synthesis, stoichiometry and structure of the quaternary scandium cuprate Ba3 Cu3 Sc4 O12 and of 334-phase solid solution members Ba3Cu3 Sc4-x Inx O12 (0 <= x <= 4)","Journal of Materials Chemistry","2001","11","","806","814","","","","","","","","","","","","","","","","","","","","","","has coordinates","147279","2020-10-21","18:00:00","" "7221290","11.9969","","11.9969","","8.4473","","90","","90","","90","","1215.78","","","","","","","","","","","","","5","I 4/m c m","-I 4 2c","140","","Ba3 Cu3 (Sc2.316 In1.684) O12","","- Ba3 Cu3 In1.684 O12 Sc2.316 -","- Ba3 Cu3 In1.684 O12 Sc2.316 -","- Ba12 Cu12 In6.736 O48 Sc9.264 -","4","0.125","","Gregory, D.H.; Mawdsley, P.R.; Barker, S.J.; Daniell, W.; Weston, D.P.","Synthesis, stoichiometry and structure of the quaternary scandium cuprate Ba3 Cu3 Sc4 O12 and of 334-phase solid solution members Ba3Cu3 Sc4-x Inx O12 (0 <= x <= 4)","Journal of Materials Chemistry","2001","11","","806","814","","","","","","","","","","","","","","","","","","","","","","has coordinates","147281","2020-10-21","18:00:00","" "7221291","12.0719","","12.0719","","8.4856","","90","","90","","90","","1236.61","","","","","","","","","","","","","5","I 4/m c m","-I 4 2c","140","","Ba3 Cu3 (Sc0.804 In3.196) O12","","- Ba3 Cu3 In3.196 O12 Sc0.804 -","- Ba3 Cu3 In3.196 O12 Sc0.804 -","- Ba12 Cu12 In12.784 O48 Sc3.216 -","4","0.125","","Gregory, D.H.; Mawdsley, P.R.; Barker, S.J.; Daniell, W.; Weston, D.P.","Synthesis, stoichiometry and structure of the quaternary scandium cuprate Ba3 Cu3 Sc4 O12 and of 334-phase solid solution members Ba3 Cu3 Sc4-x Inx O12 (0 <= x <= 4)","Journal of Materials Chemistry","2001","11","","806","814","","","","","","","","","","","","","","","","","","","","","","has coordinates","147283","2020-10-21","18:00:00","" "7221292","12.1283","","12.1283","","8.5106","","90","","90","","90","","1251.87","","","","","","","","","","","","","4","I 4/m c m","-I 4 2c","140","","","","- Ba3 Cu3 In4 O12 -","- Ba3 Cu3 In4 O12 -","- Ba12 Cu12 In16 O48 -","4","0.125","","Gregory, D.H.; Mawdsley, P.R.; Barker, S.J.; Daniell, W.; Weston, D.P.","Synthesis, stoichiometry and structure of the quaternary scandium cuprate Ba3 Cu3 Sc4 O12 and of 334-phase solid solution members Ba3Cu3 Sc4-x Inx O12 (0 <= x <= 4)","Journal of Materials Chemistry","2001","11","","806","814","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00","" "7221293","15.85","","4.9029","","18.039","","90","","114.849","","90","","1272.05","","","","","","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","La3 Si6.5 Al1.5 N9.5 O5.5","","- Al1.5 La3 N9.5 O5.5 Si6.5 -","- Al1.5 La3 N9.4999 O5.5001 Si6.5 -","- Al6 La12 N37.9996 O22.0004 Si26 -","4","0.5","","Grins, J.; Shen, Z.; Esmaeilzadeh, S.; Berastegui, P.","The structures of the Ce and La N-phases RE3 Si8-x Alx N11-x O4+x (x = 1.75 for RE = Ce, x = 1.5 for RE = La), determined by single-crystal X-ray and time-of-flight neutron powder diffraction,respectively","Journal of Materials Chemistry","2001","11","","2358","2362","","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00","" "7221294","3.9239","","3.9239","","14.2976","","90","","90","","90","","220.14","","","","","","","","","","","","","4","P 4/n m m :2","-P 4a 2a","129","","Sr2 Fe O3 Cl","","- Cl Fe O3 Sr2 -","- Cl Fe O3 Sr2 -","- Cl2 Fe2 O6 Sr4 -","2","0.125","","Hector, A.L.; Thomas, M.F.; Hutchings, J.; Weller, M.T.; Needs, R.L.","Structural and Mossbauer study of Sr2 Fe O3 X (X = F, Cl, Br) and the magnetic structure of Sr2 Fe O3 F","Journal of Materials Chemistry","2001","11","","527","532","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "7221295","3.9307","","3.9307","","15.1516","","90","","90","","90","","234.098","","","","","","","","","","","","","4","P 4/n m m :2","-P 4a 2a","129","","Sr2 Fe O3 Br","","- Br Fe O3 Sr2 -","- Br Fe O3 Sr2 -","- Br2 Fe2 O6 Sr4 -","2","0.125","","Hector, A.L.; Hutchings, J.; Weller, M.T.; Thomas, M.F.; Needs, R.L.","Structural and Mossbauer study of Sr2 Fe O3 X (X = F, Cl, Br) and the magnetic structure of Sr2 Fe O3 F","Journal of Materials Chemistry","2001","11","","527","532","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "7221296","5.45099","","5.45099","","26.2932","","90","","90","","90","","781.258","","","","","","","","","","","","","4","P -4 2 c","P -4 2c","112","","Sr2 (Fe O3) F","","- F Fe O3 Sr2 -","- F Fe O3 Sr2 -","- F8 Fe8 O24 Sr16 -","8","1","","Hector, A.L.; Hutchings, J.; Needs, R.L.; Thomas, M.F.; Weller, M.T.","Structural and Moessbauer study of Sr2 Fe O3 X (X= F, Cl, Br) and the magnetic structure of Sr2 Fe O3 F","Journal of Materials Chemistry","2001","11","","527","532","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "7221297","5.9314","","9.8974","","11.8859","","90","","119.58","","90","","606.825","","","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Ho2 (Si4 N6 C)","","- C Ho2 N6 Si4 -","- C Ho2 N6 Si4 -","- C4 Ho8 N24 Si16 -","4","1","","Hoeppe, H.A.; Kotzyba, G.; Schnick, W.; Poettgen, R.","High-temperature synthesis, crystal structure, optical properties and magnetism of the carbidonitridosilicates Ho2 (Si4 N6 C) and Tb2(Si4 N6 C)","Journal of Materials Chemistry","2001","11","","3300","3306","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "7221298","10.3073","","10.3073","","10.3073","","90","","90","","90","","1095.05","","","","","","","","","","","","","3","F d -3 m :2","-F 4vw 2vw 3","227","","Tl0.55 (Tl0.1 Sb0.57) Sb2 O6.28","","- O6.28 Sb2.57 Tl0.65 -","- O6.28 Sb2.57 Tl0.65 -","- O50.24 Sb20.56 Tl5.2 -","8","0.0416667","","Hong, Y.-S.; Kim, K.","New pyrochlore phases in the ternary oxide Tl - Sb - O","Journal of Materials Chemistry","2001","11","","1533","1536","","","","","","","","","","","","","","","","","","","","","","has coordinates","147503","2020-10-21","18:00:00","" "7221299","10.2957","","10.2957","","10.2957","","90","","90","","90","","1091.36","","","","","","","","","","","","","3","F d -3 m :2","-F 4vw 2vw 3","227","","Tl0.57 (Tl0.24 Sb0.43) Sb2 O6.29","","- O6.29 Sb2.43 Tl0.81 -","- O6.29 Sb2.4296 Tl0.81 -","- O50.32 Sb19.4368 Tl6.48 -","8","0.0416667","","Hong, Y.-S.; Kim, K.","New pyrochlore phases in the ternary oxide Tl - Sb - O","Journal of Materials Chemistry","2001","11","","1533","1536","","","","","","","","","","","","","","","","","","","","","","has coordinates","147504","2020-10-21","18:00:00","" "7221300","10.28204","","10.28204","","10.28204","","90","","90","","90","","1087.02","","","","","","","","","","","","","3","F d -3 m :2","-F 4vw 2vw 3","227","","Tl0.58 (Tl0.49 Sb0.18) Sb2 O6.3","","- O6.3 Sb2.18 Tl1.07 -","- O6.3 Sb2.18 Tl1.07 -","- O50.4 Sb17.44 Tl8.56 -","8","0.0416667","","Hong, Y.-S.; Kim, K.","New pyrochlore phases in the ternary oxide Tl - Sb - O","Journal of Materials Chemistry","2001","11","","1533","1536","","","","","","","","","","","","","","","","","","","","","","has coordinates","147507","2020-10-21","18:00:00","" "7221301","5.472","","5.472","","13.204","","90","","90","","120","","342.396","","","","","","","","","","","","","4","R -3 c :H","-R 3 2""c","167","","La (Ni0.95 Mo0.05) O3","","- La Mo0.05 Ni0.95 O3 -","- La Mo0.05 Ni0.95 O3 -","- La6 Mo0.3 Ni5.7 O18 -","6","0.166667","","Rodriguez, E.; Alvarez, I.; Lopez, M.L.; Veiga, M.L.; Martinez, J.L.; Pico, C.","Structural characterization and physical properties of La Ni1-x MoxO3 (0.05 <= x <= 0.20)","Journal of Materials Chemistry","2001","11","","673","677","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "7221302","5.443","","5.496","","7.769","","90","","90","","90","","232.408","","","","","","","","","","","","","4","P b n m","-P 2c 2ab","62","","La (Ni0.9 Mo0.1) O3","","- La Mo0.1 Ni0.9 O3 -","- La Mo0.1 Ni0.9 O3 -","- La4 Mo0.4 Ni3.6 O12 -","4","0.5","","Rodriguez, E.; Alvarez, I.; Martinez, J.L.; Lopez, M.L.; Veiga, M.L.; Pico, C.","Structural characterization and physical properties of La Ni1-x MoxO3 (0.05 <= x <= 0.20)","Journal of Materials Chemistry","2001","11","","673","677","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "7221303","5.519","","5.528","","7.807","","90","","90","","90","","238.184","","","","","","","","","","","","","4","P b n m","-P 2c 2ab","62","","La (Ni0.85 Mo0.15) O3","","- La Mo0.15 Ni0.85 O3 -","- La Mo0.15 Ni0.85 O3 -","- La4 Mo0.6 Ni3.4 O12 -","4","0.5","","Rodriguez, E.; Alvarez, I.; Lopez, M.L.; Veiga, M.L.; Martinez, J.L.; Pico, C.","Structural characterization and physical properties of La Ni1-x MoxO3 (0.05 <= x <= 0.20)","Journal of Materials Chemistry","2001","11","","673","677","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "7221304","5.5534","","5.5645","","7.8482","","90","","90","","90","","242.524","","","","","","","","","","","","","4","P b n m","-P 2c 2ab","62","","La (Ni0.8 Mo0.2) O3","","- La Mo0.2 Ni0.8 O3 -","- La Mo0.2 Ni0.8 O3 -","- La4 Mo0.8 Ni3.2 O12 -","4","0.5","","Rodriguez, E.; Alvarez, I.; Veiga, M.L.; Lopez, M.L.; Pico, C.; Martinez, J.L.","Structural characterization and physical properties of La Ni1-x Mox O3 (0.05 <= x <= 0.20)","Journal of Materials Chemistry","2001","11","","673","677","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "7221306","5.4554","","5.4588","","7.7049","","90","","90","","90","","229.451","","","","","","","","","","","","","4","P b n m","-P 2c 2ab","62","","(Pr0.85 Na0.15) (Mn O3)","","- Mn Na0.15 O3 Pr0.85 -","- Mn Na0.15 O3 Pr0.85 -","- Mn4 Na0.6 O12 Pr3.4 -","4","0.5","","Shivakumara, C.; Hegde, M.S.; Srinivasa, T.; Vasanthacharya, N.Y.; Subbanna, G.N.; Lalla, N.P.","Synthesis, structure and magnetic properties of Ln1-x Ax Mn O3 (Ln = Pr, Nd; A = Na, K) from Na Cl or K Cl flux","Journal of Materials Chemistry","2001","11","","2572","2579","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "7221307","5.4563","","5.5031","","7.706","","90","","90","","90","","231.385","","","","","","","","","","","","","4","P b n m","-P 2c 2ab","62","","(Pr0.9 Na0.1) (Mn O3)","","- Mn Na0.1 O3 Pr0.9 -","- Mn Na0.1 O3 Pr0.9 -","- Mn4 Na0.4 O12 Pr3.6 -","4","0.5","","Shivakumara, C.; Srinivasa, T.; Hegde, M.S.; Lalla, N.P.; Subbanna, G.N.; Vasanthacharya, N.Y.","Synthesis, structure and magnetic properties of Ln1-x Ax Mn O3 (Ln = Pr, Nd; A = Na, K) from Na Cl or K Cl flux","Journal of Materials Chemistry","2001","11","","2572","2579","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "7221308","5.4579","","5.5149","","7.7065","","90","","90","","90","","231.964","","","","","","","","","","","","","4","P b n m","-P 2c 2ab","62","","(Pr0.92 Na0.08) (Mn O3)","","- Mn Na0.08 O3 Pr0.92 -","- Mn Na0.08 O3 Pr0.92 -","- Mn4 Na0.32 O12 Pr3.68 -","4","0.5","","Shivakumara, C.; Hegde, M.S.; Subbanna, G.N.; Srinivasa, T.; Vasanthacharya, N.Y.; Lalla, N.P.","Synthesis, structure and magnetic properties of Ln1-x Ax Mn O3 (Ln = Pr, Nd; A = Na, K) from Na Cl or K Cl flux","Journal of Materials Chemistry","2001","11","","2572","2579","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "7221309","5.4562","","5.5517","","7.6951","","90","","90","","90","","233.094","","","","","","","","","","","","","4","P b n m","-P 2c 2ab","62","","(Pr0.97 Na0.03) (Mn0.94 O3)","","- Mn0.94 Na0.03 O3 Pr0.97 -","- Mn0.94 Na0.03 O3 Pr0.97 -","- Mn3.76 Na0.12 O12 Pr3.88 -","4","0.5","","Shivakumara, C.; Srinivasa, T.; Hegde, M.S.; Vasanthacharya, N.Y.; Subbanna, G.N.; Lalla, N.P.","Synthesis, structure and magnetic properties of Ln1-x Ax Mn O3 (Ln = Pr, Nd; A = Na, K) from Na Cl or K Cl flux","Journal of Materials Chemistry","2001","11","","2572","2579","","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00","" "7221310","5.4769","","5.5101","","7.7275","","90","","90","","90","","233.203","","","","","","","","","","","","","4","P b n m","-P 2c 2ab","62","","(Pr0.92 K0.08) (Mn O3)","","- K0.08 Mn O3 Pr0.92 -","- K0.08 Mn O3 Pr0.92 -","- K0.32 Mn4 O12 Pr3.68 -","4","0.5","","Shivakumara, C.; Vasanthacharya, N.Y.; Srinivasa, T.; Hegde, M.S.; Lalla, N.P.; Subbanna, G.N.","Synthesis, structure and magnetic properties of Ln1-x Ax Mn O3 (Ln = Pr, Nd; A = Na, K) from Na Cl or K Cl flux","Journal of Materials Chemistry","2001","11","","2572","2579","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "7221311","5.4625","","5.554","","7.7025","","90","","90","","90","","233.684","","","","","","","","","","","","","4","P b n m","-P 2c 2ab","62","","(Pr0.94 K0.06) (Mn O3)","","- K0.06 Mn O3 Pr0.94 -","- K0.06 Mn O3 Pr0.94 -","- K0.24 Mn4 O12 Pr3.76 -","4","0.5","","Shivakumara, C.; Hegde, M.S.; Lalla, N.P.; Srinivasa, T.; Subbanna, G.N.; Vasanthacharya, N.Y.","Synthesis, structure and magnetic properties of Ln1-x Ax Mn O3 (Ln = Pr, Nd; A = Na, K) from Na Cl or K Cl flux","Journal of Materials Chemistry","2001","11","","2572","2579","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "7221312","5.4515","","5.6028","","7.6679","","90","","90","","90","","234.206","","","","","","","","","","","","","4","P b n m","-P 2c 2ab","62","","(Pr0.98 K0.02) (Mn0.94 O3)","","- K0.02 Mn0.94 O3 Pr0.98 -","- K0.02 Mn0.94 O3 Pr0.98 -","- K0.08 Mn3.76 O12 Pr3.92 -","4","0.5","","Shivakumara, C.; Hegde, M.S.; Vasanthacharya, N.Y.; Srinivasa, T.; Lalla, N.P.; Subbanna, G.N.","Synthesis, structure and magnetic properties of Ln1-x Ax Mn O3 (Ln = Pr, Nd; A = Na, K) from Na Cl or K Cl flux","Journal of Materials Chemistry","2001","11","","2572","2579","","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00","" "7221313","5.4313","","5.5218","","7.6697","","90","","90","","90","","230.019","","","","","","","","","","","","","4","P b n m","-P 2c 2ab","62","","(Nd0.89 Na0.11) (Mn O3)","","- Mn Na0.11 Nd0.89 O3 -","- Mn Na0.11 Nd0.89 O3 -","- Mn4 Na0.44 Nd3.56 O12 -","4","0.5","","Shivakumara, C.; Hegde, M.S.; Srinivasa, T.; Lalla, N.P.; Subbanna, G.N.; Vasanthacharya, N.Y.","Synthesis, structure and magnetic properties of Ln1-x Ax Mn O3 (Ln = Pr, Nd; A = Na, K) from Na Cl or K Cl flux","Journal of Materials Chemistry","2001","11","","2572","2579","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "7221314","5.4143","","5.6367","","7.6263","","90","","90","","90","","232.745","","","","","","","","","","","","","4","P b n m","-P 2c 2ab","62","","(Nd0.98 Na0.02) (Mn0.91 O3)","","- Mn0.91 Na0.02 Nd0.98 O3 -","- Mn0.91 Na0.02 Nd0.98 O3 -","- Mn3.64 Na0.08 Nd3.92 O12 -","4","0.5","","Shivakumara, C.; Hegde, M.S.; Srinivasa, T.; Lalla, N.P.; Subbanna, G.N.; Vasanthacharya, N.Y.","Synthesis, structure and magnetic properties of Ln1-x Ax Mn O3 (Ln = Pr, Nd; A = Na, K) from Na Cl or K Cl flux","Journal of Materials Chemistry","2001","11","","2572","2579","","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00","" "7221315","5.4397","","5.6242","","7.6351","","90","","90","","90","","233.588","","","","","","","","","","","","","4","P b n m","-P 2c 2ab","62","","(Nd0.95 K0.05) (Mn O3)","","- K0.05 Mn Nd0.95 O3 -","- K0.05 Mn Nd0.95 O3 -","- K0.2 Mn4 Nd3.8 O12 -","4","0.5","","Shivakumara, C.; Hegde, M.S.; Srinivasa, T.; Vasanthacharya, N.Y.; Subbanna, G.N.; Lalla, N.P.","Synthesis, structure and magnetic properties of Ln1-x Ax Mn O3 (Ln = Pr, Nd; A = Na, K) from Na Cl or K Cl flux","Journal of Materials Chemistry","2001","11","","2572","2579","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "7221316","5.4158","","5.6563","","7.6223","","90","","90","","90","","233.497","","","","","","","","","","","","","4","P b n m","-P 2c 2ab","62","","(Nd0.98 K0.02) (Mn0.91 O3)","","- K0.02 Mn0.91 Nd0.98 O3 -","- K0.02 Mn0.91 Nd0.98 O3 -","- K0.08 Mn3.64 Nd3.92 O12 -","4","0.5","","Shivakumara, C.; Hegde, M.S.; Lalla, N.P.; Srinivasa, T.; Vasanthacharya, N.Y.; Subbanna, G.N.","Synthesis, structure and magnetic properties of Ln1-x Ax Mn O3 (Ln = Pr, Nd; A = Na, K) from Na Cl or K Cl flux","Journal of Materials Chemistry","2001","11","","2572","2579","","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00","" "7221317","5.2549","","5.3677","","7.562","","90","","90","","90","","213.299","","","","","","","","","","","","","3","P b n m","-P 2c 2ab","62","","Tl Ni O3","","- Ni O3 Tl -","- Ni O3 Tl -","- Ni4 O12 Tl4 -","4","0.5","","Kim, S.-J.; Demazeau, G.; Alonso, J.A.; Choy, J.-H.","High pressure synthesis and crystal structure of a new Ni(III) perovskite: Tl Ni O3","Journal of Materials Chemistry","2001","11","","487","492","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "7221318","4.1721","","4.1721","","16.376","","90","","90","","90","","285.048","","","","","","","","","","","","","5","I 4/m m m","-I 4 2","139","","Ba2 Zr O3 F2 (H2 O)0.46","","- Ba2 F2 H0.92 O3.46 Zr -","- Ba2 F2.002 O3.458 Zr -","- Ba4 F4.004 O6.916 Zr2 -","2","0.0625","","Slater, P.R.; Gover, R.K.B.","Synthesis and structure of the new oxide fluoride Ba2 Zr O3 F2 * x(H2 O) (x = 0.5)","Journal of Materials Chemistry","2001","11","","2035","2038","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "7221320","5.4472","","5.4901","","28.8125","","90","","90","","90","","861.657","","","","","","","","","","","","","4","P 21 c n","P -2n 2a","33","","Bi4 Nb O8 Cl","","- Bi4 Cl Nb O8 -","- Bi4 Cl Nb O8 -","- Bi16 Cl4 Nb4 O32 -","4","1","","Kusainova, A.M.; Stefanovich, S.Yu.; Dolgikh, V.A.; Mosunov, A.V.; Hervoches, C.H.; Lightfoot, P.","Dielectric properties and structure of Bi4 Nb O8 Cl and Bi4 Ta O8 Cl","Journal of Materials Chemistry","2001","11","","1141","1145","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "7221321","5.4589","","5.5044","","28.6998","","90","","90","","90","","862.371","","","","","","","","","","","","","4","P 21 c n","P -2n 2a","33","","Bi4 Ta O8 Cl","","- Bi4 Cl O8 Ta -","- Bi4 Cl O8 Ta -","- Bi16 Cl4 O32 Ta4 -","4","1","","Kusainova, A.M.; Hervoches, C.H.; Stefanovich, S.Yu.; Mosunov, A.V.; Dolgikh, V.A.; Lightfoot, P.","Dielectric properties and structure of Bi4 Nb O8 Cl and Bi4 Ta O8 Cl","Journal of Materials Chemistry","2001","11","","1141","1145","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "7221323","5.5033","","16.234","","5.3717","","90","","90","","90","","479.911","","","","","","","","","","","","","4","I c m m","-I 2 2b","74","","Sr2 (Mn Ga O5)","","- Ga Mn O5 Sr2 -","- Ga Mn O5 Sr2 -","- Ga4 Mn4 O20 Sr8 -","4","0.25","","Wright, A.J.; Palmer, H.M.; Greaves, C.; Anderson, P.A.","Synthesis and structure of Sr2 Mn Ga O5, a new layered manganese oxide","Journal of Materials Chemistry","2001","11","","1324","1326","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "7221324","3.072","","3.072","","18.73","","90","","90","","120","","153.077","","","","","","","","","","","","","3","P 63/m m c","-P 6c 2c","194","","Ti3 Al C2","","- C2 Al Ti3 -","- C2 Al Ti3 -","- C4 Al2 Ti6 -","2","0.0833333","","Zhou, Y.C.; Wang, X.H.; Chen, S.Q.; Sun, Z.M.","Electronic and structural properties of the layered ternary carbide Ti3 Al C2","Journal of Materials Chemistry","2001","11","","2335","2339","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "7222181","4.196","","4.196","","11.437","","90","","90","","120","","174.387","","","","","","","","","","","","","3","P -3 m 1","-P 3 2""","164","","La Al Si2","","- Al La Si2 -","- Al La Si2 -","- Al2 La2 Si4 -","2","0.166667","","Kranenberg, C.; Johrendt, D.; Mewis, A.; Kockelmann, W.","Kristall- und elektronische Struktur von La Al Si2","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-)","2001","56","","620","625","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "7222186","4.084","","4.084","","13.742","","90","","90","","120","","198.496","","","","","","","","","","","","","3","P 63/m m c","-P 6c 2c","194","","Tm2 Ni As2","","- As2 Ni Tm2 -","- As2 Ni Tm2 -","- As4 Ni2 Tm4 -","2","0.0833333","","Jeitschko, W.; Terbuechte, L.J.; Rodewald, U.C.","Ternary rare earth and uranium nickel arsenides Ln2 Ni As2 (Ln = Tb- Yb), Ln Ni As (Ln = La - Nd, Sm, Gd, Dy - Yb) and U Ni As","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-)","2001","56","","1281","1288","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "7222193","7.531","","4.019","","15.658","","90","","90","","90","","473.922","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","Sm2 S1.82 Se1.18","","- S1.82 Se1.18 Sm2 -","- S1.824 Se1.176 Sm2 -","- S7.296 Se4.704 Sm8 -","4","0.5","","Lissner, F.; Weber, F.A.; Schleid, T.","Drei Formen des Samarium(III)-Sulfidselenids Sm2 S2-x Se1+x (0.1<=x<0.2)","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-)","2001","56","","990","996","","","","","","","","","","","","","","","","","","","","","","has coordinates","157396","2020-10-21","18:00:00","" "7222194","8.587","","8.587","","8.587","","90","","90","","90","","633.176","","","","","","","","","","","","","3","I -4 3 d","I -4bd 2c 3","220","","(Sm2 S1.9 Se1.1)1.333","","- S2.5327 Se1.4663 Sm2.666 -","- S2.544 Se1.456 Sm2.667 -","- S10.176 Se5.824 Sm10.668 -","4","0.0833333","","Lissner, F.; Weber, F.A.; Schleid, T.","Drei Formen des Samarium(III)-Sulfidselenids Sm2 S2-x Se1+x (0.1<=x<0.2)","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-)","2001","56","","990","996","","","","","","","","","","","","","","","","","","","","","","has coordinates","157399","2020-10-21","18:00:00","" "7222195","11.053","","3.992","","10.74","","90","","90","","90","","473.887","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","Sm2 S1.84 Se1.16","","- S1.84 Se1.16 Sm2 -","- S1.836 Se1.164 Sm2 -","- S7.344 Se4.656 Sm8 -","4","0.5","","Lissner, F.; Weber, F.A.; Schleid, T.","Drei Formen des Samarium(III)-Sulfidselenids Sm2 S2-x Se1+x (0.1<=x<0.2)","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-)","2001","56","","990","996","","","","","","","","","","","","","","","","","","","","","","has coordinates","157402","2020-10-21","18:00:00","" "7222394","10.227","","6.0048","","4.6918","","90","","90","","90","","288.129","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","Li Fe (P O4)","","- Fe Li O4 P -","- Fe Li O4 P -","- Fe4 Li4 O16 P4 -","4","0.5","","Garcia-Moreno, O.; Gallardo Amores, J.M.; Alvarez-Vega, M.; Sanjuan, M.L.; Garcia-Jaca, J.; Garcia-Alvarado, F.; Amador, U.","Influence of the structure on the electrochemical performance of lithium transition metal phosphates as cathodic materials in rechargeable lithium batteries: a new high-pressure form of Li M P O4 (M = Fe and Ni)","Journal of Materials Chemistry","2001","13","","1570","1576","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "7222395","5.523","","8.2565","","6.1583","","90","","90","","90","","280.822","","","","","","","","","","","","","4","C m c m","-C 2c 2","63","","Li Fe (P O4)","","- Fe Li O4 P -","- Fe Li O4 P -","- Fe4 Li4 O16 P4 -","4","0.25","","Garcia-Moreno, O.; Garcia-Alvarado, F.; Alvarez-Vega, M.; Garcia-Jaca, J.; Gallardo Amores, J.M.; Amador, U.; Sanjuan, M.L.","Influence of the structure on the electrochemical performance of lithium transition metal phosphates as cathodic materials in rechargeable lithium batteries: a new high-pressure form of Li M P O4 (M = Fe and Ni)","Journal of Materials Chemistry","2001","13","","1570","1576","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "7222396","5.358","","8.1272","","6.1241","","90","","90","","90","","266.677","","","","","","","","","","","","","4","C m c m","-C 2c 2","63","","Li Ni (P O4)","","- Li Ni O4 P -","- Li Ni O4 P -","- Li4 Ni4 O16 P4 -","4","0.25","","Garcia-Moreno, O.; Alvarez-Vega, M.; Amador, U.; Garcia-Alvarado, F.; Garcia-Jaca, J.; Gallardo Amores, J.M.; Sanjuan, M.L.","Influence of the structure on the electrochemical performance of lithium transition metal phosphates as cathodic materials in rechargeable lithium batteries: a new high-pressure form of Li M P O4 (M = Fe and Ni)","Journal of Materials Chemistry","2001","13","","1570","1576","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "7222462","3.9754","","14.1483","","16.857","","90","","90","","90","","948.125","","","","","","","","","","","","","4","C m c m","-C 2c 2","63","","","","- Cs Cu3 Dy2 S5 -","- Cs Cu3 Dy2 S5 -","- Cs4 Cu12 Dy8 S20 -","4","0.25","","Lauxmann, P.; Schleid, T.","Cs Cu3 Dy2 S5 und Cs Cu3 Er2 S5 : zwei isotype quaternaere Sulfide der Lanthanoide mit Kanalstrukturen","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-)","2001","56","","1149","1154","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00","" "7222464","3.9482","","14.109","","16.6717","","90","","90","","90","","928.7","","","","","","","","","","","","","4","C m c m","-C 2c 2","63","","","","- Cs Cu3 Er2 S5 -","- Cs Cu3 Er2 S5 -","- Cs4 Cu12 Er8 S20 -","4","0.25","","Lauxmann, P.; Schleid, T.","Cs Cu3 Dy2 S5 und Cs Cu3 Er2 S5 : zwei isotype quaternaere Sulfide der Lanthanoide mit Kanalstrukturen","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-)","2001","56","","1149","1154","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00","" "7222528","6.925","","12.01","","7.257","","90","","108.81","","90","","571.325","","","","","","","","","","","","","3","C 1 2/m 1","-C 2y","12","","Na2 (Zr Se3)","","- Na2 Se3 Zr -","- Na2 Se3 Zr -","- Na8 Se12 Zr4 -","4","0.5","","Harringer, N.A.; Kolb, A.; Klepp, K.O.","Na2 Zr Se3, ein neues Chalcogenometallat(IV) mit Schichtstruktur","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-)","2001","56","","1322","1324","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "7222532","8.799","","22.673","","16.423","","90","","90","","90","","3276.38","","","","","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","(Te8) (Bi4 Cl14)","","- Bi4 Cl14 Te8 -","- Bi4 Cl14 Te8 -","- Bi16 Cl56 Te32 -","4","1","","Beck, J.; Stankowski, A.","A one-dimensional polymeric form in the polycation (Te8)(2+) in the structure of Te8 (Bi4 Cl14)","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-)","2001","56","","453","457","","","","","","","","","","","","","","","","","","","","","","has coordinates","162195","2020-10-21","18:00:00","" "7222538","6.6576","","14.5552","","7.8147","","90","","94.935","","90","","754.458","","","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Mn2 (As2 O7) (H2 O)2","","- As2 H4 Mn2 O9 -","- As2 Mn2 O9 -","- As8 Mn8 O36 -","4","1","","Stock, N.; Stucky, G.D.; Cheetham, A.K.","Synthesis and characterisation of the manganese pyroarsenate Mn2 As2 O7 * 2(H2 O)","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-)","2001","56","","359","363","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "7222576","19.645","","7.6278","","7.3021","","90","","96.276","","90","","1087.65","","","","","","","","","","","","","3","C 1 2/m 1","-C 2y","12","","Cs2 (Sb4 O11)","","- Cs2 O11 Sb4 -","- Cs2 O11 Sb4 -","- Cs8 O44 Sb16 -","4","0.5","","Hirschle, C.; Rosstauscher, J.; Roehr, C.; Emmerling, F.","Rb- und Cs-Oxoantimonate(V) mit Kanalstrukturen: Synthesen, Kristallstrukturen und Schwingungsspektren","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-)","2001","56","","169","178","","","","","","","","","","","","","","","","","","","","","","has coordinates","162627","2020-10-21","18:00:00","" "7222578","7.4337","","26.251","","7.396","","90","","90","","90","","1443.27","","","","","","","","","","","","","3","P b a m","-P 2 2ab","55","","Cs3 (Sb5 O14)","","- Cs3 O14 Sb5 -","- Cs3 O14 Sb5 -","- Cs12 O56 Sb20 -","4","0.5","","Hirschle, C.; Rosstauscher, J.; Emmerling, F.; Roehr, C.","Rb- und Cs-Oxoantimonate(V) mit Kanalstrukturen: Synthesen, Kristallstrukturen und Schwingungsspektren","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-)","2001","56","","169","178","","","","","","","","","","","","","","","","","","","","","","has coordinates","162631","2020-10-21","18:00:00","" "7222579","7.1881","","24.4775","","7.3305","","90","","90","","90","","1289.78","","","","","","","","","","","","","3","P b a m","-P 2 2ab","55","","Rb3 (Sb5 O14)","","- O14 Rb3 Sb5 -","- O14 Rb3 Sb5 -","- O56 Rb12 Sb20 -","4","0.5","","Hirschle, C.; Rosstauscher, J.; Emmerling, F.; Roehr, C.","Rb- und Cs-Oxoantimonate(V) mit Kanalstrukturen: Synthesen, Kristallstrukturen und Schwingungsspektren","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-)","2001","56","","169","178","","","","","","","","","","","","","","","","","","","","","","has coordinates","162635","2020-10-21","18:00:00","" "7222588","7.808","","7.808","","4.001","","90","","90","","90","","243.92","","","","","","","","","","","","","3","P 4/m b m","-P 4 2ab","127","","La2 Cu2 In","","- Cu2 In La2 -","- Cu2 In La2 -","- Cu4 In2 La4 -","2","0.125","","Mishra, R.; Poettgen, R.; Hoffmann, R.D.","New magnesium compounds RE2 Cu2 Mg (RE= Y, La-Nd, Sm, Gd-Tm, Lu) with Mo2 Fe B2 type structure","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-)","2001","56","","239","244","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "7222589","10.476","","6.46","","10.481","","90","","112.291","","90","","656.295","","","","","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","K4 (Ge O4)","","- Ge K4 O4 -","- Ge K4 O4 -","- Ge4 K16 O16 -","4","1","","Hoch, C.; Roehr, C.","Neue Oxogermanate(IV) der schweren Alkalimetalle. Synthese und Kristallstrukturen","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-)","2001","56","","1245","1256","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "7222590","7.9209","","7.9209","","3.9631","","90","","90","","90","","248.647","","","","","","","","","","","","","3","P 4/m b m","-P 4 2ab","127","","La2 Cu2 Mg","","- Cu2 La2 Mg -","- Cu2 La2 Mg -","- Cu4 La4 Mg2 -","2","0.125","","Mishra, R.; Hoffmann, R.D.; Poettgen, R.","Synthesis, crystal chemistry and physical properties of ternary intermetallic compounds An2 T2 X (An= Pu, Am; X= In, Sn; T= Co, Ir, Ni, Pd, Pt, Rh)","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-)","2001","56","","239","244","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "7222591","11.032","","6.7334","","10.845","","90","","112.676","","90","","743.325","","","","","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","Rb4 (Ge O4)","","- Ge O4 Rb4 -","- Ge O4 Rb4 -","- Ge4 O16 Rb16 -","4","1","","Hoch, C.; Roehr, C.","Neue Oxogermanate(IV) der schweren Alkalimetalle. Synthese und Kristallstrukturen","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-)","2001","56","","1245","1256","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "7222592","7.783","","7.783","","3.8404","","90","","90","","90","","232.633","","","","","","","","","","","","","3","P 4/m b m","-P 4 2ab","127","","Nd2 Cu2 Mg","","- Cu2 Mg Nd2 -","- Cu2 Mg Nd2 -","- Cu4 Mg2 Nd4 -","2","0.125","","Mishra, R.; Hoffmann, R.D.; Poettgen, R.","Synthesis, crystal chemistry and physical properties of ternary intermetallic compounds An2 T2 X (An= Pu, Am; X= In, Sn; T= Co, Ir, Ni, Pd, Pt, Rh)","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-)","2001","56","","239","244","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "7222593","12.937","","11.4863","","19.264","","90","","128.05","","90","","2254.22","","","","","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","Cs10 (Ge O4)2 O","","- Cs10 Ge2 O9 -","- Cs10 Ge2 O9 -","- Cs40 Ge8 O36 -","4","1","","Hoch, C.; Roehr, C.","Neue Oxogermanate(IV) der schweren Alkalimetalle. Synthese und Kristallstrukturen","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-)","2001","56","","1245","1256","","","","","","","","","","","","","","","","","","","","","","has coordinates","162756","2020-10-21","18:00:00","" "7222594","7.6265","","7.6265","","3.7409","","90","","90","","90","","217.584","","","","","","","","","","","","","3","P 4/m b m","-P 4 2ab","127","","Y2 Cu2 Mg","","- Cu2 Mg Y2 -","- Cu2 Mg Y2 -","- Cu4 Mg2 Y4 -","2","0.125","","Mishra, R.; Hoffmann, R.D.; Poettgen, R.","New Magnesium Compounds RE2Cu2Mg (RE = Y, La-Nd, Sm, Gd-Tm, Lu) with Mo2FeB2 Type Structure","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-)","2001","56","","239","244","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "7222595","6.63","","13.468","","16.666","","90","","107.47","","90","","1419.51","","","","","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","Rb6 (Ge3 O9)","","- Ge3 O9 Rb6 -","- Ge3 O9 Rb6 -","- Ge12 O36 Rb24 -","4","1","","Hoch, C.; Roehr, C.","Neue Oxogermanate(IV) der schweren Alkalimetalle. Synthese und Kristallstrukturen","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-)","2001","56","","1245","1256","","","","","","","","","","","","","","","","","","","","","","has coordinates","162760","2020-10-21","18:00:00","" "7222596","7.545","","7.545","","3.771","","90","","90","","120","","185.911","","","","","","","","","","","","","3","P -6 2 m","P -6 -2","189","","","","- Ho Rh Sn -","- Ho Rh Sn -","- Ho3 Rh3 Sn3 -","3","0.25","","Mishra, R.; Trill, H.; Poettgen, R.; Piotrowski, H.; Mosel, B.D.; Hoffmann, R.D.; Zumdick, M.F.","The stannides RE Rh Sn (RE= Ho-Yb) and Sc T Sn (T= Pd, Pt) - structure refinements and 119Sn Moessbauer spectroscopy","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-)","2001","56","","589","597","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00","" "7222597","6.963","","14.031","","17.428","","90","","107.88","","90","","1620.44","","","","","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","Cs6 (Ge3 O9)","","- Cs6 Ge3 O9 -","- Cs6 Ge3 O9 -","- Cs24 Ge12 O36 -","4","1","","Hoch, C.; Roehr, C.","Neue Oxogermanate(IV) der schweren Alkalimetalle. Synthese und Kristallstrukturen","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-)","2001","56","","1245","1256","","","","","","","","","","","","","","","","","","","","","","has coordinates","162764","2020-10-21","18:00:00","" "7222598","7.3837","","7.3837","","7.2947","","90","","90","","120","","344.418","","","","","","","","","","","","","3","P -6 2 c","P -6c -2c","190","","Sc Pt Sn","","- Pt Sc Sn -","- Pt Sc Sn -","- Pt6 Sc6 Sn6 -","6","0.5","","Mishra, R.; Poettgen, R.; Mosel, B.D.; Hoffmann, R.D.; Trill, H.; Piotrowski, H.; Zumdick, M.F.","The stannides RE Rh Sn (RE= Ho-Yb) and Sc T Sn (T= Pd, Pt) - structure refinements and 119Sn Moessbauer spectroscopy","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-)","2001","56","","589","597","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "7222600","9.6152","","17.197","","7.617","","90","","126.51","","90","","1012.32","","","","","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","Cs3 (Al Ge2 O7)","","- Al Cs3 Ge2 O7 -","- Al Cs3 Ge2 O7 -","- Al4 Cs12 Ge8 O28 -","4","0.5","","Hoch, C.; Roehr, C.","Neue Oxogermanate(IV) der schweren Alkalimetalle. Synthese und Kristallstrukturen","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-)","2001","56","","1245","1256","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "7222601","7.5317","","7.5317","","3.6653","","90","","90","","120","","180.064","","","","","","","","","","","","","3","P -6 2 m","P -6 -2","189","","Yb Rh Sn","","- Rh Sn Yb -","- Rh Sn Yb -","- Rh3 Sn3 Yb3 -","3","0.25","","Mishra, R.; Poettgen, R.; Hoffmann, R.D.; Mosel, B.D.; Trill, H.; Piotrowski, H.; Zumdick, M.F.","The stannides RE Rh Sn (RE= Ho-Yb) and Sc T Sn (T= Pd, Pt) - structure refinements and 119Sn Moessbauer spectroscopy","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-)","2001","56","","589","597","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "7222603","6.5597","","13.297","","16.476","","90","","107.78","","90","","1368.47","","","","","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","Rb6 (Si3 O9)","","- O9 Rb6 Si3 -","- O9 Rb6 Si3 -","- O36 Rb24 Si12 -","4","1","","Hoch, C.; Roehr, C.","Alkalimetall-Oxosilicate A6 (Si3 O9) und A6 (Si2 O7) (A= Rb, Cs): Darstellung und Kristallstruktur","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-)","2001","56","","423","430","","","","","","","","","","","","","","","","","","","","","","has coordinates","162773","2020-10-21","18:00:00","" "7222604","7.537","","7.537","","3.69","","90","","90","","120","","181.532","","","","","","","","","","","","","3","P -6 2 m","P -6 -2","189","","Tm Rh Sn","","- Rh Sn Tm -","- Rh Sn Tm -","- Rh3 Sn3 Tm3 -","3","0.25","","Mishra, R.; Poettgen, R.; Hoffmann, R.D.; Mosel, B.D.; Trill, H.; Piotrowski, H.; Zumdick, M.F.","The stannides RE Rh Sn (RE= Ho-Yb) and Sc T Sn (T= Pd, Pt) - structure refinements and 119Sn Moessbauer spectroscopy","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-)","2001","56","","589","597","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "7222606","6.847","","13.757","","17.036","","90","","108.23","","90","","1524.15","","","","","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","Cs6 (Si3 O9)","","- Cs6 O9 Si3 -","- Cs6 O9 Si3 -","- Cs24 O36 Si12 -","4","1","","Hoch, C.; Roehr, C.","Alkalimetall-Oxosilicate A6 (Si3 O9) und A6 (Si2 O7) (A = Rb, Cs): Darstellung und Kristallstruktur","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-)","2001","56","","423","430","","","","","","","","","","","","","","","","","","","","","","has coordinates","162777","2020-10-21","18:00:00","" "7222607","7.533","","7.533","","3.7216","","90","","90","","120","","182.893","","","","","","","","","","","","","3","P -6 2 m","P -6 -2","189","","","","- Er Rh Sn -","- Er Rh Sn -","- Er3 Rh3 Sn3 -","3","0.25","","Mishra, R.; Poettgen, R.; Hoffmann, R.D.; Trill, H.; Mosel, B.D.; Piotrowski, H.; Zumdick, M.F.","The stannides RE Rh Sn (RE= Ho-Yb) and Sc T Sn (T= Pd, Pt) - structure refinements and 119Sn Moessbauer spectroscopy","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-)","2001","56","","589","597","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00","" "7222609","6.6859","","9.1137","","11.2109","","90","","125.52","","90","","555.998","","","","","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","Rb6 (Si2 O7)","","- O7 Rb6 Si2 -","- O7 Rb6 Si2 -","- O14 Rb12 Si4 -","2","0.5","","Hoch, C.; Roehr, C.","Alkalimetall-Oxosilicate A6 (Si3 O9) und A6 (Si2 O7) (A= Rb, Cs): Darstellung und Kristallstruktur","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-)","2001","56","","423","430","","","","","","","","","","","","","","","","","","","","","","has coordinates","162781","2020-10-21","18:00:00","" "7222610","6.4127","","3.7948","","7.277","","90","","90","","90","","177.085","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","Nb Ir Si","","- Ir Nb Si -","- Ir Nb Si -","- Ir4 Nb4 Si4 -","4","0.5","","Mishra, R.; Poettgen, R.; Kotzyba, G.","New metal-rich compounds Nb Ir Si, Nb Ir Ge, and Ta Ir Si synthesis, structure and magnetic properties","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-)","2001","56","","463","468","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "7222611","7.1139","","9.521","","11.927","","90","","126.22","","90","","651.723","","","","","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","Cs6 (Si2 O7)","","- Cs6 O7 Si2 -","- Cs6 O7 Si2 -","- Cs12 O14 Si4 -","2","0.5","","Hoch, C.; Roehr, C.","Alkalimetall-Oxosilicate A6 (Si3 O9) und A6 (Si2 O7) (A= Rb, Cs): Darstellung und Kristallstruktur","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-)","2001","56","","423","430","","","","","","","","","","","","","","","","","","","","","","has coordinates","162785","2020-10-21","18:00:00","" "7222612","6.4548","","3.8921","","7.4111","","90","","90","","90","","186.187","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","Nb Ir Ge","","- Ge Ir Nb -","- Ge Ir Nb -","- Ge4 Ir4 Nb4 -","4","0.5","","Mishra, R.; Poettgen, R.; Kotzyba, G.","New metal-rich compounds Nb Ir Si, Nb Ir Ge, and Ta Ir Si synthesis, structure and magnetic properties","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-)","2001","56","","463","468","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "7222613","6.3811","","3.7869","","7.2678","","90","","90","","90","","175.623","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","Ta Ir Si","","- Ir Si Ta -","- Ir Si Ta -","- Ir4 Si4 Ta4 -","4","0.5","","Mishra, R.; Kotzyba, G.; Poettgen, R.","New metal-rich compounds Nb Ir Si, Nb Ir Ge, and Ta Ir Si synthesis, structure and magnetic properties","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-)","2001","56","","463","468","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "7222625","10.9933","","11.4041","","16.2206","","72.197","","59.949","","82.243","","1675.51","","","","","","","","","","","","","3","P -1","-P 1","2","","Ba16 (Nb N4)3 (Nb2 N7)","","- Ba16 N19 Nb5 -","- Ba16 N19 Nb5 -","- Ba32 N38 Nb10 -","2","1","","Hoehn, P.; Kniep, R.","Ba16 Nb5 N19 - a nitridoniobate(V) containing isolated (Nb N4)(7-) and (Nb2 N7)(11-) units","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-)","2001","56","","604","610","","","","","","","","","","","","","","","","","","","","","","has coordinates","162864","2020-10-21","18:00:00","" "7222631","10.4339","","12.9674","","13.2023","","90","","90","","90","","1786.28","","","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","Rb5 (Al O4) (Rb Au)3","","- Al Au3 O4 Rb8 -","- Al Au3 O4 Rb8 -","- Al4 Au12 O16 Rb32 -","4","1","","Mudring, A.V.; Jansen, M.","Rb8 Al O4 Au3 = Rb5 Al O4 * 3(Rb Au) - ein Aluminat-Aurid","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-)","2001","56","","433","436","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "7222632","13.247","","13.247","","16.58","","90","","90","","120","","2519.71","","","","","","","","","","","","","3","R -3 c :H","-R 3 2""c","167","","Cs6 Cl4 O","","- Cl4 Cs6 O -","- Cl4 Cs6 O -","- Cl24 Cs36 O6 -","6","0.166667","","Mudring, A.V.; Jansen, M.","Darstellung und Kristallstruktur von Cs6 Cl4 O","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-)","2001","56","","209","212","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "7222643","17.8348","","13.4135","","9.2142","","90","","90","","90","","2204.29","","","","","","","","","","","","","3","P m m a","-P 2a 2a","51","","Rb (Nb6 Cl15)","","- Cl15 Nb6 Rb -","- Cl15 Nb6 Rb -","- Cl60 Nb24 Rb4 -","4","0.5","","Naegele, A.; Day, C.; Lachgar, A.; Meyer, H.J.","Interpenetrierende Clusterstraenge in der Kristallstruktur von K0.77 Nb6 Cl15","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-)","2001","56","","1238","1240","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "7222644","17.801","","13.4143","","9.2551","","90","","90","","90","","2210.01","","","","","","","","","","","","","3","P m m a","-P 2a 2a","51","","K0.77 (Nb6 Cl15)","","- Cl15 K0.77 Nb6 -","- Cl15 K0.768 Nb6 -","- Cl60 K3.072 Nb24 -","4","0.5","","Naegele, A.; Day, C.; Meyer, H.J.; Lachgar, A.","Interpenetrierende Clusterstraenge in der Kristallstruktur von K0.77 Nb6 Cl15","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-)","2001","56","","1238","1240","","","","","","","","","","","","","","","","","","","","","","has coordinates","163309","2020-10-21","18:00:00","" "7222645","17.8948","","13.4397","","9.2437","","90","","90","","90","","2223.12","","","","","","","","","","","","","3","P m m a","-P 2a 2a","51","","Cs (Nb6 Cl15)","","- Cl15 Cs Nb6 -","- Cl15 Cs0.995 Nb6 -","- Cl60 Cs3.98 Nb24 -","4","0.5","","Naegele, A.; Day, C.; Lachgar, A.; Meyer, H.J.","Interpenetrierende Clustergaenge in der Kristallstruktur von K0.77 Nb6 Cl15","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-)","2001","56","","1238","1240","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "7222651","9.7229","","9.7229","","9.7229","","90","","90","","90","","919.152","","","","","","","","","","","","","3","P m -3 n","-P 4n 2 3","223","","","","- Ce3 Ir4 Sn12.76 -","- Ce3 Ir4 Sn12.76 -","- Ce6 Ir8 Sn25.52 -","2","0.0416667","","Niepmann, D.; Poettgen, R.; Poduska, K.M.; Trill, H.; DiSalvo, F.J.; Mosel, B.D.","Structure and Properties of the Stannides CeAuSn, Ce3Rh4Sn13, and Ce3Ir4Sn13","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-)","2001","56","","1","8","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00","" "7222672","10.0047","","10.0047","","10.0047","","90","","90","","90","","1001.41","","","","","","","","","","","","","6","P 21 3","P 2ac 2ab 3","198","","(Co (N H3)6) Cl (C O3)","","- C H18 Cl Co N6 O3 -","- C H18 Cl Co N6 O3 -","- C4 H72 Cl4 Co4 N24 O12 -","4","0.333333","","Dahm, M.; Adam, A.","(Co (N H3)6) Cl C O3 - ein Hexaammincobalt(III)-Komplex mit einer 'idealen' Carbonat-Gruppe","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-)","2001","56","","1117","1122","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "7222721","4.022","","4.022","","5.352","","90","","90","","90","","86.577","","","","","","","","","","","","","4","P 4/m m m","-P 4 2","123","","Pr Cr1.96 Si2 C0.93","","- C0.93 Cr1.96 Pr Si2 -","- C0.93 Cr1.96 Pr Si2 -","- C0.93 Cr1.96 Pr Si2 -","1","0.0625","","Pohlkamp, M.W.; Jeitschko, W.","Preparation, properties, and structure refinement of quaternary silicide carbides R Cr2 Si2 C (R = Y, La, Pr, Nd, Sm, Gd - Ho) with Ce Cr2 Si2 C type structure","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-)","2001","56","","1143","1148","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "7222824","4.424","","11.086","","7.384","","90","","90","","90","","362.144","","","","","","","","","","","","","3","C m c m","-C 2c 2","63","","Yb Pd Sn2","","- Pd Sn2 Yb -","- Pd Sn2 Yb -","- Pd4 Sn8 Yb4 -","4","0.25","","Kussmann, D.; Poettgen, R.","Synthesis and Structure of YbPdSn2","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-)","2001","56","","446","448","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "7223704","27.1925","","27.1925","","41.0974","","90","","90","","90","","30388.7","","","","","","","","","","","","","5","I 41/a c d :2","-I 4bd 2c","142","","Na15 Mn10 ((H P O4) (P O4)3 Mo6 O12 (O H)3)4 (P O4) (H2 O)48","","- Mn10 Mo24 Na10 O165 P17 -","- Mn10 Mo24 Na10 O165 P17 -","- Mn80 Mo192 Na80 O1320 P136 -","8","0.25","","du Peloux, C.; Mialane, P.; Dolbecq, A.; Marrot, J.; Riviere, E.; Secheresse, F.","Synthesis, crystal structure and magnetic properties of new molybdenum(V) phosphates containing Mn(2+) or Co(2+) with three-dimensional structures directed by the nature of the transition metal","Journal of Materials Chemistry","2001","11","","3392","3396","","","","","","","","","","","","","","","","","","","","","","has coordinates","172966","2020-10-21","18:00:00","" "7223709","28.1613","","14.2131","","12.998","","90","","114.79","","90","","4723.16","","","","","","","","","","","","","5","C 1 2/m 1","-C 2y","12","","Na12 Co3 ((P O4)4 Mo6 O12 (O H)3)2 (H2 O)44","","- Co3 Mo12 Na12 O102 P8 -","- Co3 Mo12 Na12 O102 P8 -","- Co6 Mo24 Na24 O204 P16 -","2","0.25","","du Peloux, C.; Mialane, P.; Secheresse, F.; Marrot, J.; Riviere, E.; Dolbecq, A.","Synthesis, crystal structure and magnetic properties of new molybdenum(V) phosphates containing Mn(2+) or Co(2+) with three-dimensional structures directed by the nature of the transition metal","Journal of Materials Chemistry","2001","11","","3392","3396","","","","","","","","","","","","","","","","","","","","","","has coordinates","173087","2020-10-21","18:00:00","" "7223826","10.3069","","6.4361","","10.4168","","90","","119.236","","90","","602.987","","","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","(C H3) Te Cl3","","- C H3 Cl3 Te -","- C H3 Cl3 Te -","- C4 H12 Cl12 Te4 -","4","1","","Pietikainen, J.; Valkonen, J.; Konu, J.; Laitinen, R.S.","Formation and crystal structure of polymeric (Me Te Cl3)n","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-)","2001","56","","1369","1372","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "7238064","10.53","0.002","13.802","0.003","11.485","0.002","90","","90.86","0.03","90","","1669","0.6","120","2","120","1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","4-[1-(trifluoromethyl)-1,2,2,2-tetrafluoroethyl]- 2-bromo-3-fluoro-5-methoxy-6-piperidylpyridine","","- C14 H13 Br F8 N2 O -","- C14 H13 Br F8 N2 O -","- C56 H52 Br4 F32 N8 O4 -","4","1","","Richard D. Chambers; Philip R. Hoskin; Graham Sandford; Dmitrii S. Yufit; Judith A. K. Howard","Polyhalogenated heterocyclic compounds. Part 47. Syntheses of multi-substituted pyridine derivatives from pentafluoropyridine","Journal of the Chemical Society, Perkin Transactions 1","2001","","","2788","2795","10.1039/B105950P","","","0.71073","MoKα","","0.0827","0.0692","","","0.1712","0.1802","","","","","","1.118","","","","has coordinates","243815","2020-10-21","18:00:00","" "7238065","10.446","0.002","7.122","0.001","17.251","0.004","90","","93.71","0.03","90","","1280.7","0.4","120","2","120","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","2,6-dibromo-3-fluoro-5-methoxy-4-(1,2,2,2-tetra- fluoro-1-trifluoromethyl-ethyl)-pyridine","","- C9 H3 Br2 F8 N O -","- C9 H3 Br2 F8 N O -","- C36 H12 Br8 F32 N4 O4 -","4","1","","Richard D. Chambers; Philip R. Hoskin; Graham Sandford; Dmitrii S. Yufit; Judith A. K. Howard","Polyhalogenated heterocyclic compounds. Part 47. Syntheses of multi-substituted pyridine derivatives from pentafluoropyridine","Journal of the Chemical Society, Perkin Transactions 1","2001","","","2788","2795","10.1039/B105950P","","","0.71073","MoKα","","0.0677","0.0528","","","0.1338","0.1435","","","","","","1.008","","","","has coordinates","243815","2020-10-21","18:00:00","" "7238066","9.556","0.002","14.124","0.008","8.881","0.001","90.3","0.04","108","","105","","1096.4","0.7","293.1","","293.1","","","","","","","","","4","P -1","-P 1","2","","","","- C26 H25 N O3 -","- C26 H25 N O3 -","- C52 H50 N2 O6 -","2","1","","Tadashi Hasegawa; Kaori Ikeda; Yuko Yamazaki","[2+2]Photocycloaddition of 2-(dibenzylamino)ethyl 3-benzoylacrylate in a crystalline state: weak intermolecular interactions as important factors determining efficiency of the solid-state photoreaction","Journal of the Chemical Society, Perkin Transactions 1","2001","","","3025","3028","10.1039/B105970J","","","0.7107","MoKα","","","0.08","","","","0.033","","","","","","3.378","","","","has coordinates","288263","2023-12-12","20:57:46","" "7238067","18.467","0.007","5.519","0.009","20.166","0.007","90","","90","","90","","2055","4","296.1","","296.1","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C52 H50 N2 O6 -","- C52 H44 N2 O6 -","- C104 H88 N4 O12 -","2","0.5","","Tadashi Hasegawa; Kaori Ikeda; Yuko Yamazaki","[2+2]Photocycloaddition of 2-(dibenzylamino)ethyl 3-benzoylacrylate in a crystalline state: weak intermolecular interactions as important factors determining efficiency of the solid-state photoreaction","Journal of the Chemical Society, Perkin Transactions 1","2001","","","3025","3028","10.1039/B105970J","","","0.7107","MoKα","","","0.139","","","","0.089","","","","","","2.565","","","","has coordinates","243816","2020-10-21","18:00:00","" "7238080","7.0681","0.0012","11.9013","0.0012","9.3556","0.0012","90","","90.931","0.007","90","","786.89","0.19","125","","125","","","","","","","","see text","3","P 1 21/m 1","-P 2yb","11","","","","- C20 H21 N3 -","- C20 H21 N3 -","- C40 H42 N6 -","2","0.5","","Oosterbaan, Wibren D.; Havenith, Remco W. A.; van Walree, Cornelis A.; Jenneskens, Leonardus W.; Gleiter, Rolf; Kooijman, Huub; Spek, Anthony L.","The occurrence of through-bond orbital interactions in an α,ω donor‒acceptor substituted bi(cyclohexylidene) and bi(cyclohexyl). X-Ray diffraction, UV‒Vis absorption and photoelectron spectroscopy, ab initio SCF-MO and natural bond orbital analyses†","Journal of the Chemical Society, Perkin Transactions 2","2001","","7","1066","","10.1039/b102410h","","","0.71073","MoKα","","0.0532","0.0396","","","0.1017","0.1112","","","","","","1.047","","","","has coordinates","243914","2020-10-21","18:00:00","" "7238081","7.0137","0.001","11.941","0.002","9.6449","0.0017","90","","92.286","0.011","90","","807.1","0.2","150","","150","","","","","","","","see text","3","P 1 21/m 1","-P 2yb","11","","","","- C20 H23 N3 -","- C20 H23 N3 -","- C40 H46 N6 -","2","0.5","","Oosterbaan, Wibren D.; Havenith, Remco W. A.; van Walree, Cornelis A.; Jenneskens, Leonardus W.; Gleiter, Rolf; Kooijman, Huub; Spek, Anthony L.","The occurrence of through-bond orbital interactions in an α,ω donor‒acceptor substituted bi(cyclohexylidene) and bi(cyclohexyl). X-Ray diffraction, UV‒Vis absorption and photoelectron spectroscopy, ab initio SCF-MO and natural bond orbital analyses†","Journal of the Chemical Society, Perkin Transactions 2","2001","","7","1066","","10.1039/b102410h","","","0.71073","MoKα","","0.0739","0.0545","","","0.1172","0.1277","","","","","","0.954","","","","has coordinates","243914","2020-10-21","18:00:00","" "7702438","11.162","0.005","12.414","0.009","13.967","0.006","63.75","0.04","85.75","0.04","65.04","0.04","1558.5","1.7","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","bis(nitrilo-tris(methylenephenylphosphinate)copper(II)Pyridine), bis-acetone","","- C58 H66 Cu2 N4 O14 P6 -","- C58 H52 Cu2 N4 O14 P6 -","- C58 H52 Cu2 N4 O14 P6 -","1","0.5","","Cecconi, Franco; Ghilardi, Carlo A.; Lorenzo Luis, Pablo A.; Midollini, Stefano; Orlandini, Annabella; Dakternieks, Dainis; Duthie, Andrew; Dominguez, Sixto; Berti, Elisabetta; Vacca, Alberto","Complexes of the tripodal nitrilotrimethylenetrisphosphonic (H6L) and P,P′,P ″-triphenylnitrilotrimethylenetrisphosphinic (H3L°) acids with the copper(II) ion. Synthesis and characterization of [Hpy][Cu(H3L)(H2O)] and [Cu(HL°)(py)]2·2Me2CO†","Journal of the Chemical Society, Dalton Transactions","2001","","2","211","","10.1039/b004576o","","","0.7107","MoKα","","0.2027","0.0686","","0.1899","0.1435","","","","0.963","1.068","1.068","","","","","has coordinates","243867","2020-10-21","18:00:00","" "7702439","10.982","0.005","15.846","0.009","18.236","0.006","90","0.04","90","0.04","90","0.04","3173","3","293","2","293","2","","","","","","","","6","P c a b","-P 2bc 2ac","61","","(Nitrilo-tris(methylenephosphonate)copper(II)(water),Pyridonium","","- C8 H17 Cu N2 O10 P3 -","- C8 H11 Cu N2 O10 P3 -","- C64 H88 Cu8 N16 O80 P24 -","8","1","","Cecconi, Franco; Ghilardi, Carlo A.; Lorenzo Luis, Pablo A.; Midollini, Stefano; Orlandini, Annabella; Dakternieks, Dainis; Duthie, Andrew; Dominguez, Sixto; Berti, Elisabetta; Vacca, Alberto","Complexes of the tripodal nitrilotrimethylenetrisphosphonic (H6L) and P,P′,P ″-triphenylnitrilotrimethylenetrisphosphinic (H3L°) acids with the copper(II) ion. Synthesis and characterization of [Hpy][Cu(H3L)(H2O)] and [Cu(HL°)(py)]2·2Me2CO†","Journal of the Chemical Society, Dalton Transactions","2001","","2","211","","10.1039/b004576o","","","0.7107","MoKα","","0.1159","0.0509","","0.1313","0.1097","","","","1.026","1.082","1.082","","","","","has coordinates","243867","2020-10-21","18:00:00","" "7702452","12.829","0.001","13.935","0.002","11.158","0.001","90","","90","","90","","1994.7","0.4","111","2","111","2","","","","","","","synthesis","6","P n n 2","P 2 -2n","34","","","","- C41 H34 Br2 Cl2 Co3 N12 -","- C41 H34 Br2 Cl2 Co3 N12 -","- C82 H68 Br4 Cl4 Co6 N24 -","2","0.5","","Clérac, Rodolphe; Cotton, F. Albert; Daniels, Lee M.; Dunbar, Kim R.; Murillo, Carlos A.; Wang, Xiaoping","Structural and magnetic properties of Co3(dpa)4Br2 †","Journal of the Chemical Society, Dalton Transactions","2001","","4","386","","10.1039/b007876j","","","0.71073","MoKα","","0.0624","0.0591","","0.1799","0.177","","","","1.06","1.073","1.073","","","","","has coordinates","243871","2020-10-21","18:00:00","" "7702453","12.849","0.002","13.956","0.002","11.175","0.002","90","","90","","90","","2003.9","0.6","147","2","147","2","","","","","","","synthesis","6","P n n 2","P 2 -2n","34","","","","- C41 H34 Br2 Cl2 Co3 N12 -","- C41 H34 Br2 Cl2 Co3 N12 -","- C82 H68 Br4 Cl4 Co6 N24 -","2","0.5","","Clérac, Rodolphe; Cotton, F. Albert; Daniels, Lee M.; Dunbar, Kim R.; Murillo, Carlos A.; Wang, Xiaoping","Structural and magnetic properties of Co3(dpa)4Br2 †","Journal of the Chemical Society, Dalton Transactions","2001","","4","386","","10.1039/b007876j","","","0.71073","MoKα","","0.0679","0.0597","","0.1746","0.1659","","","","1.181","1.19","1.19","","","","","has coordinates","243871","2020-10-21","18:00:00","" "7702454","12.953","0.001","14.055","0.001","11.264","0.001","90","","90","","90","","2050.7","0.3","240","2","240","2","","","","","","","synthesis","6","P n n 2","P 2 -2n","34","","","","- C41 H34 Br2 Cl2 Co3 N12 -","- C41 H34 Br2 Cl2 Co3 N12 -","- C82 H68 Br4 Cl4 Co6 N24 -","2","0.5","","Clérac, Rodolphe; Cotton, F. Albert; Daniels, Lee M.; Dunbar, Kim R.; Murillo, Carlos A.; Wang, Xiaoping","Structural and magnetic properties of Co3(dpa)4Br2 †","Journal of the Chemical Society, Dalton Transactions","2001","","4","386","","10.1039/b007876j","","","0.71073","MoKα","","0.0556","0.0474","","0.1436","0.137","","","","1.075","1.101","1.101","","","","","has coordinates","243871","2020-10-21","18:00:00","" "7702455","12.9949","0.0005","11.5683","0.0005","14.2818","0.0006","90","","94.229","0.001","90","","2141.12","0.15","110","2","110","2","","","","","","","synthesis","5","P 1 2/n 1","-P 2yac","13","","","","- C46 H44 Br2 Co3 N12 -","- C46 H44 Br2 Co3 N12 -","- C92 H88 Br4 Co6 N24 -","2","0.5","","Clérac, Rodolphe; Cotton, F. Albert; Daniels, Lee M.; Dunbar, Kim R.; Murillo, Carlos A.; Wang, Xiaoping","Structural and magnetic properties of Co3(dpa)4Br2 †","Journal of the Chemical Society, Dalton Transactions","2001","","4","386","","10.1039/b007876j","","","0.71073","MoKα","","0.0306","0.0242","","0.0629","0.0604","","","","1.057","1.104","1.104","","","","","has coordinates,has disorder","243871","2020-10-21","18:00:00","" "7702456","13.0105","0.0007","11.5955","0.0006","14.3119","0.0007","90","","94.178","0.001","90","","2153.4","0.19","150","2","150","2","","","","","","","synthesis","5","P 1 2/n 1","-P 2yac","13","","","","- C46 H44 Br2 Co3 N12 -","- C46 H44 Br2 Co3 N12 -","- C92 H88 Br4 Co6 N24 -","2","0.5","","Clérac, Rodolphe; Cotton, F. Albert; Daniels, Lee M.; Dunbar, Kim R.; Murillo, Carlos A.; Wang, Xiaoping","Structural and magnetic properties of Co3(dpa)4Br2 †","Journal of the Chemical Society, Dalton Transactions","2001","","4","386","","10.1039/b007876j","","","0.71073","MoKα","","0.0338","0.0252","","0.0679","0.0643","","","","1.039","1.093","1.093","","","","","has coordinates,has disorder","243871","2020-10-21","18:00:00","" "7702457","13.0226","0.0006","11.6749","0.0005","14.372","0.0007","90","","93.958","0.001","90","","2179.87","0.17","213","2","213","2","","","","","","","synthesis","5","P 1 2/n 1","-P 2yac","13","","","","- C46 H44 Br2 Co3 N12 -","- C46 H44 Br2 Co3 N12 -","- C92 H88 Br4 Co6 N24 -","2","0.5","","Clérac, Rodolphe; Cotton, F. Albert; Daniels, Lee M.; Dunbar, Kim R.; Murillo, Carlos A.; Wang, Xiaoping","Structural and magnetic properties of Co3(dpa)4Br2 †","Journal of the Chemical Society, Dalton Transactions","2001","","4","386","","10.1039/b007876j","","","0.71073","MoKα","","0.04","0.0263","","0.0708","0.0658","","","","1.047","1.119","1.119","","","","","has coordinates,has disorder","243871","2020-10-21","18:00:00","" "7702458","13.0483","0.0007","11.7668","0.0006","14.4367","0.0008","90","","93.781","0.001","90","","2211.7","0.2","298","2","298","2","","","","","","","synthesis","5","P 1 2/n 1","-P 2yac","13","","","","- C46 H46 Br2 Co3 N12 -","- C46 H44 Br2 Co3 N12 -","- C92 H88 Br4 Co6 N24 -","2","0.5","","Clérac, Rodolphe; Cotton, F. Albert; Daniels, Lee M.; Dunbar, Kim R.; Murillo, Carlos A.; Wang, Xiaoping","Structural and magnetic properties of Co3(dpa)4Br2 †","Journal of the Chemical Society, Dalton Transactions","2001","","4","386","","10.1039/b007876j","","","0.71073","MoKα","","0.053","0.0292","","0.0813","0.0731","","","","1.03","1.134","1.134","","","","","has coordinates,has disorder","243871","2020-10-21","18:00:00","" "7702459","16.835","0.001","18.06","0.002","19.243","0.002","81.636","0.002","82.881","0.002","62.516","0.001","5124.4","0.8","110","2","110","2","","","","","","","synthesis","5","P -1","-P 1","2","","","","- C55.25 H53 Br2 Co3 N12 -","- C55.25 H32 Br2 Co3 N12 -","- C221 H128 Br8 Co12 N48 -","4","2","","Clérac, Rodolphe; Cotton, F. Albert; Daniels, Lee M.; Dunbar, Kim R.; Murillo, Carlos A.; Wang, Xiaoping","Structural and magnetic properties of Co3(dpa)4Br2 †","Journal of the Chemical Society, Dalton Transactions","2001","","4","386","","10.1039/b007876j","","","0.71073","MoKα","","0.0876","0.0484","","0.1308","0.1158","","","","1.025","1.145","1.145","","","","","has coordinates,has disorder","243871","2020-10-21","18:00:00","" "7702460","16.927","0.001","18.155","0.001","19.293","0.001","81.395","0.001","82.475","0.002","62.438","0.001","5184","0.5","170","2","170","2","","","","","","","synthesis","5","P -1","-P 1","2","","","","- C55.25 H53 Br2 Co3 N12 -","- C55.25 H32 Br2 Co3 N12 -","- C221 H128 Br8 Co12 N48 -","4","2","","Clérac, Rodolphe; Cotton, F. Albert; Daniels, Lee M.; Dunbar, Kim R.; Murillo, Carlos A.; Wang, Xiaoping","Structural and magnetic properties of Co3(dpa)4Br2 †","Journal of the Chemical Society, Dalton Transactions","2001","","4","386","","10.1039/b007876j","","","0.71073","MoKα","","0.0993","0.0491","","0.1352","0.116","","","","1.012","1.142","1.142","","","","","has coordinates,has disorder","243871","2020-10-21","18:00:00","" "7702461","17.007","0.001","18.228","0.001","19.321","0.002","81.22","0.002","82.232","0.002","62.411","0.001","5232.1","0.7","213","2","213","2","","","","","","","synthesis","5","P -1","-P 1","2","","","","- C55.25 H53 Br2 Co3 N12 -","- C55.25 H32 Br2 Co3 N12 -","- C221 H128 Br8 Co12 N48 -","4","2","","Clérac, Rodolphe; Cotton, F. Albert; Daniels, Lee M.; Dunbar, Kim R.; Murillo, Carlos A.; Wang, Xiaoping","Structural and magnetic properties of Co3(dpa)4Br2 †","Journal of the Chemical Society, Dalton Transactions","2001","","4","386","","10.1039/b007876j","","","0.71073","MoKα","","0.117","0.0515","","0.1385","0.1159","","","","1.002","1.175","1.175","","","","","has coordinates,has disorder","243871","2020-10-21","18:00:00","" "7702462","17.2","0.005","18.383","0.006","19.385","0.006","81.049","0.006","82.046","0.007","62.464","0.005","5353","3","295","2","295","2","","","","","","","synthesis","5","P -1","-P 1","2","","","","- C55.25 H53 Br2 Co3 N12 -","- C55.25 H32 Br2 Co3 N12 -","- C221 H128 Br8 Co12 N48 -","4","2","","Clérac, Rodolphe; Cotton, F. Albert; Daniels, Lee M.; Dunbar, Kim R.; Murillo, Carlos A.; Wang, Xiaoping","Structural and magnetic properties of Co3(dpa)4Br2 †","Journal of the Chemical Society, Dalton Transactions","2001","","4","386","","10.1039/b007876j","","","0.71073","MoKα","","0.1318","0.0527","","0.1352","0.1128","","","","1.032","1.273","1.273","","","","","has coordinates,has disorder","243871","2020-10-21","18:00:00","" "7702463","13.9497","0.0014","23.133","0.002","22.485","0.002","90","","99.792","0.002","90","","7150.2","1.1","173","2","173","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C30 H27 Cu F12 N6 O2 P2 S3 -","- C30 H15 Cu F12 N6 O2 P2 S3 -","- C240 H120 Cu8 F96 N48 O16 P16 S24 -","8","1","","Rice, Craig R.; Wörl, Stefan; Jeffery, John C.; Paul, Rowena L.; Ward, Michael D.","New multidentate ligands for supramolecular coordination chemistry: double and triple helical complexes of ligands containing pyridyl and thiazolyl donor units","Journal of the Chemical Society, Dalton Transactions","2001","","5","550","","10.1039/b007922g","","","0.71073","MoKα","","0.1655","0.0886","","","0.2332","0.2807","","","","","","1.003","","","","has coordinates","243872","2020-10-21","18:00:00","" "7702464","13.4641","0.0013","15.0528","0.0015","21.859","0.002","80.685","0.002","81.242","0.002","77.288","0.002","4233.2","0.7","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C76 H58 Cl4 Cu2 N20 O17 S4 -","- C76 H32 Cl4 Cu2 N20 O17 S4 -","- C152 H64 Cl8 Cu4 N40 O34 S8 -","2","1","","Rice, Craig R.; Wörl, Stefan; Jeffery, John C.; Paul, Rowena L.; Ward, Michael D.","New multidentate ligands for supramolecular coordination chemistry: double and triple helical complexes of ligands containing pyridyl and thiazolyl donor units","Journal of the Chemical Society, Dalton Transactions","2001","","5","550","","10.1039/b007922g","","","0.71073","MoKα","","0.1853","0.0984","","","0.2353","0.2884","","","","","","1.026","","","","has coordinates","243872","2020-10-21","18:00:00","" "7702465","11.882","0.005","9.871","0.004","24.086","0.01","90","","90","","90","","2825","2","173","2","173","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C16 H10 N4 S2 -","- C16 H10 N4 S2 -","- C128 H80 N32 S16 -","8","1","","Rice, Craig R.; Wörl, Stefan; Jeffery, John C.; Paul, Rowena L.; Ward, Michael D.","New multidentate ligands for supramolecular coordination chemistry: double and triple helical complexes of ligands containing pyridyl and thiazolyl donor units","Journal of the Chemical Society, Dalton Transactions","2001","","5","550","","10.1039/b007922g","","","0.71073","MoKα","","0.136","0.0941","","","0.211","0.2307","","","","","","1.062","","","","has coordinates","243872","2020-10-21","18:00:00","" "7702466","13.329","0.003","23.158","0.003","22.379","0.003","90","","99.357","0.019","90","","6816","2","173","2","173","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C52 H42 Cl4 N16 O24 S6 Zn2 -","- C52 H30 Cl4 N16 O24 S6 Zn2 -","- C208 H120 Cl16 N64 O96 S24 Zn8 -","4","0.5","","Rice, Craig R.; Wörl, Stefan; Jeffery, John C.; Paul, Rowena L.; Ward, Michael D.","New multidentate ligands for supramolecular coordination chemistry: double and triple helical complexes of ligands containing pyridyl and thiazolyl donor units","Journal of the Chemical Society, Dalton Transactions","2001","","5","550","","10.1039/b007922g","","","0.71073","MoKα","","0.0971","0.0772","","","0.2483","0.263","","","","","","1.078","","","","has coordinates","243872","2020-10-21","18:00:00","" "7702467","13.2594","0.0007","23.1248","0.0012","22.4373","0.0011","90","","99.861","0.001","90","","6778.1","0.6","173","2","173","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C52 H42 Cl4 Co2 N16 O24 S6 -","- C52 H30 Cl4 Co2 N16 O24 S6 -","- C208 H120 Cl16 Co8 N64 O96 S24 -","4","0.5","","Rice, Craig R.; Wörl, Stefan; Jeffery, John C.; Paul, Rowena L.; Ward, Michael D.","New multidentate ligands for supramolecular coordination chemistry: double and triple helical complexes of ligands containing pyridyl and thiazolyl donor units","Journal of the Chemical Society, Dalton Transactions","2001","","5","550","","10.1039/b007922g","","","0.71073","MoKα","","0.1349","0.1011","","","0.3078","0.3315","","","","","","1.205","","","","has coordinates","243872","2020-10-21","18:00:00","" "7702468","13.43","0.005","15.088","0.006","21.65","0.008","81.05","0.007","80.641","0.008","78.684","0.008","4210","3","123","2","123","2","","","","","","","","7","P -1","-P 1","2","","","","- C78 H59 Cl4 N21 O16 S4 Zn2 -","- C78 H32 Cl4 N21 O16 S4 Zn2 -","- C156 H64 Cl8 N42 O32 S8 Zn4 -","2","1","","Rice, Craig R.; Wörl, Stefan; Jeffery, John C.; Paul, Rowena L.; Ward, Michael D.","New multidentate ligands for supramolecular coordination chemistry: double and triple helical complexes of ligands containing pyridyl and thiazolyl donor units","Journal of the Chemical Society, Dalton Transactions","2001","","5","550","","10.1039/b007922g","","","0.71073","MoKα","","0.2327","0.1594","","","0.3834","0.4198","","","","","","1.243","","","","has coordinates","243872","2020-10-21","18:00:00","" "7702469","12.0704","0.0017","13.675","0.002","19.688","0.003","94.44","0.003","104.884","0.003","106.271","0.003","2975.6","0.8","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C46 H38 Cl4 Cu2 N14 O24 S4 -","- C46 H26 Cl4 Cu2 N14 O24 S4 -","- C92 H52 Cl8 Cu4 N28 O48 S8 -","2","1","","Rice, Craig R.; Wörl, Stefan; Jeffery, John C.; Paul, Rowena L.; Ward, Michael D.","New multidentate ligands for supramolecular coordination chemistry: double and triple helical complexes of ligands containing pyridyl and thiazolyl donor units","Journal of the Chemical Society, Dalton Transactions","2001","","5","550","","10.1039/b007922g","","","0.71073","MoKα","","0.1749","0.0727","","","0.1702","0.208","","","","","","0.907","","","","has coordinates","243872","2020-10-21","18:00:00","" "7702470","12.4345","0.0006","12.5367","0.0006","20.9227","0.0011","89.891","0.001","76.842","0.001","79.206","0.001","3116.9","0.3","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C54 H38 Cl4 Cu2 N14 O20 S4 -","- C54 H32 Cl4 Cu2 N14 O20 S4 -","- C108 H64 Cl8 Cu4 N28 O40 S8 -","2","1","","Rice, Craig R.; Wörl, Stefan; Jeffery, John C.; Paul, Rowena L.; Ward, Michael D.","New multidentate ligands for supramolecular coordination chemistry: double and triple helical complexes of ligands containing pyridyl and thiazolyl donor units","Journal of the Chemical Society, Dalton Transactions","2001","","5","550","","10.1039/b007922g","","","0.71073","MoKα","","0.1106","0.057","","","0.1464","0.1675","","","","","","0.949","","","","has coordinates","243872","2020-10-21","18:00:00","" "7702471","11.452","0.001","11.807","0.001","13.265","0.002","82.366","0.009","67.565","0.008","77.581","0.007","1616.5","0.3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","Ruthenium Complex.","[Ru(trpy)(L2)(NO2)] ClO4","","- C33 H28 Cl N7 O6 Ru -","- C33 H28 Cl N7 O6 Ru -","- C66 H56 Cl2 N14 O12 Ru2 -","2","1","","Mondal, Biplab; Paul, Himadri; Puranik, Vedavati G.; Lahiri, Goutam Kumar","Ruthenium mononitro and mononitroso terpyridine complexes incorporating azoimine based ancillary ligands. Synthesis, crystal structure, spectroelectrochemical properties and kinetic aspects †","Journal of the Chemical Society, Dalton Transactions","2001","","4","481","","10.1039/b007975h","","","0.7093","MoKα","","0.1476","0.0636","","","0.1063","0.1223","","","","","","0.913","","","","has coordinates","243873","2020-10-21","18:00:00","" "7702472","14.066","0.003","12.748","0.003","14.593","0.003","90","","110.74","0.03","90","","2447.1","1","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C26 H17 Fe2 O6 P -","- C26 H17 Fe2 O6 P -","- C104 H68 Fe8 O24 P4 -","4","1","","Anwar, M. Kamal; Hogarth, Graeme; Senturk, Ozan S.; Clegg, William; Doherty, Simon; Elsegood, Mark R. J.","α‒βAlkenyl isomerisation at diiron centres","Journal of the Chemical Society, Dalton Transactions","2001","","3","341","","10.1039/b007977o","","","0.71073","MoKα","","0.0893","0.0515","","0.1599","0.1225","","","","1.093","1.115","1.115","","","","","has coordinates","243874","2020-10-21","18:00:00","" "7702473","13.444","0.003","8.12","0.002","22.698","0.005","90","","91.55","0.03","90","","2476.9","1","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C23 H19 Fe2 O6 P -","- C23 H19 Fe2 O6 P -","- C92 H76 Fe8 O24 P4 -","4","1","","Anwar, M. Kamal; Hogarth, Graeme; Senturk, Ozan S.; Clegg, William; Doherty, Simon; Elsegood, Mark R. J.","α‒βAlkenyl isomerisation at diiron centres","Journal of the Chemical Society, Dalton Transactions","2001","","3","341","","10.1039/b007977o","","","0.71073","MoKα","","0.1671","0.0971","","0.3418","0.2435","","","","1.221","1.285","1.285","","","","","has coordinates","243874","2020-10-21","18:00:00","" "7702474","9.993","0.002","14.641","0.003","18.69","0.004","90","","104.49","0.03","90","","2647.5","1","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C26 H17 Fe2 O6 P -","- C26 H17 Fe2 O6 P -","- C104 H68 Fe8 O24 P4 -","4","1","","Anwar, M. Kamal; Hogarth, Graeme; Senturk, Ozan S.; Clegg, William; Doherty, Simon; Elsegood, Mark R. J.","α‒βAlkenyl isomerisation at diiron centres","Journal of the Chemical Society, Dalton Transactions","2001","","3","341","","10.1039/b007977o","","","0.71073","MoKα","","0.0676","0.049","","0.1558","0.1304","","","","1.079","1.113","1.113","","","","","has coordinates","243874","2020-10-21","18:00:00","" "7702475","16.8886","0.0011","12.9963","0.0008","19.5996","0.0013","90","","104.807","0.002","90","","4159","0.5","160","2","160","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C47 H42 Fe2 O6 P2 -","- C47 H42 Fe2 O6 P2 -","- C188 H168 Fe8 O24 P8 -","4","1","","Anwar, M. Kamal; Hogarth, Graeme; Senturk, Ozan S.; Clegg, William; Doherty, Simon; Elsegood, Mark R. J.","α‒βAlkenyl isomerisation at diiron centres","Journal of the Chemical Society, Dalton Transactions","2001","","3","341","","10.1039/b007977o","","","0.71073","MoKα","","0.115","0.0659","","","0.1277","0.147","","","","","","1.073","","","","has coordinates,has disorder","243874","2020-10-21","18:00:00","" "7702476","10.954","0.002","11.645","0.002","13.745","0.002","109.43","0.03","99.92","0.03","102.79","0.03","1553.7","0.7","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H26 Fe2 O8 P2 -","- C28 H26 Fe2 O8 P2 -","- C56 H52 Fe4 O16 P4 -","2","1","","Anwar, M. Kamal; Hogarth, Graeme; Senturk, Ozan S.; Clegg, William; Doherty, Simon; Elsegood, Mark R. J.","α‒βAlkenyl isomerisation at diiron centres","Journal of the Chemical Society, Dalton Transactions","2001","","3","341","","10.1039/b007977o","","","0.71073","MoKα","","0.0874","0.0646","","0.195","0.1671","","","","1.079","1.117","1.117","","","","","has coordinates","243874","2020-10-21","18:00:00","" "7702477","11.462","0.002","17.092","0.003","27.804","0.006","80.91","0.03","88.26","0.03","81.62","0.03","5321.1","1.8","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C90 H105 Fe6 O30 P9 -","- C90 H105 Fe6 O30 P9 -","- C180 H210 Fe12 O60 P18 -","2","1","","Anwar, M. Kamal; Hogarth, Graeme; Senturk, Ozan S.; Clegg, William; Doherty, Simon; Elsegood, Mark R. J.","α‒βAlkenyl isomerisation at diiron centres","Journal of the Chemical Society, Dalton Transactions","2001","","3","341","","10.1039/b007977o","","","0.71073","MoKα","","0.1078","0.0707","","0.239","0.1877","","","","1.131","1.167","1.167","","","","","has coordinates","243874","2020-10-21","18:00:00","" "7702478","5.003","0.0001","8.5434","0.0003","12.4336","0.0005","92.99","","97.138","0.002","91.465","0.002","526.33","0.03","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C1.5 H6 N O10 P2 Zn3 -","- C2.5 N O10 P2 Zn3 -","- C5 N2 O20 P4 Zn6 -","2","1","","Neeraj, S.; Natarajan, Srinivasan; Rao, C. N. R.","A zinc phosphate oxalate with phosphate layers pillared by the oxalate units","Journal of the Chemical Society, Dalton Transactions","2001","","3","289","","10.1039/b007980o","","","0.71073","MoKα","","0.07","0.0534","","0.1417","0.1288","","","","1.04","1.071","1.071","","","","","has coordinates","243875","2020-10-21","18:00:00","" "7702479","8.793","0.0002","25.291","0.0005","14.1","0.0003","90","","93.336","0.001","90","","3130.3","0.12","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","PtCl4(NHCEtNCPh2)2","","","- C32 H32 Cl4 N4 Pt -","- C32 H32 Cl4 N4 Pt -","- C128 H128 Cl16 N16 Pt4 -","4","1","","Garnovskii, Dmitrii A.; Kukushkin, Vadim Yu.; Haukka, Matti; Wagner, Gabriele; Pombeiro, Armando J. L.","First observation of metal-mediated nitrile‒imine coupling giving ligated 1,3-diaza-1,3-dienes","Journal of the Chemical Society, Dalton Transactions","2001","","5","560","","10.1039/b008154j","","","0.71073","MoKα","","0.027","0.0218","","","0.0488","0.0506","","","","","","1.047","","","","has coordinates","243876","2020-10-21","18:00:00","" "7702480","14.941","0.008","19.023","0.008","13.869","0.006","95.42","0.05","116.06","0.05","88.96","0.05","3524","3","193","2","193","2","","","","","","","","7","P -1","-P 1","2","","","","- C75 H89 Cl2 Cu N4 O3.5 P2 -","- C74.5 H62 Cl2 Cu N4 O3.5 P2 -","- C149 H124 Cl4 Cu2 N8 O7 P4 -","2","1","","Haikarainen, Anssi; Sipilä, Jussi; Pietikäinen, Pekka; Pajunen, Aarne; Mutikainen, Ilpo","Synthesis and characterization of bulky salen-type complexes of Co, Cu, Fe, Mn and Ni with amphiphilic solubility properties","Journal of the Chemical Society, Dalton Transactions","2001","","7","991","","10.1039/b008167l","","","0.71073","MoKα","","0.1335","0.11","","0.3347","0.308","0.3347","","","1.336","","","1.336","","","","has coordinates","243877","2020-10-21","18:00:00","" "7702481","13.41","0.008","13.047","0.008","45.995","0.014","90","","93.39","0.04","90","","8033","7","193","2","193","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C68 H62 Cl20 D6 N2 Ni O2 P2 -","- C68 H62 Cl20 D6 N2 Ni O2 P2 -","- C272 H248 Cl80 D24 N8 Ni4 O8 P8 -","4","1","","Haikarainen, Anssi; Sipilä, Jussi; Pietikäinen, Pekka; Pajunen, Aarne; Mutikainen, Ilpo","Synthesis and characterization of bulky salen-type complexes of Co, Cu, Fe, Mn and Ni with amphiphilic solubility properties","Journal of the Chemical Society, Dalton Transactions","2001","","7","991","","10.1039/b008167l","","","0.71073","MoKα","","0.4126","0.1524","","0.3423","0.2567","0.3423","","","0.876","","","0.876","","","","has coordinates","243877","2020-10-21","18:00:00","" "7702482","9.5268","0.0019","19.827","0.004","11.661","0.002","90","","95.77","0.03","90","","2191.5","0.7","173","2","173","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","Triphenylphosphine chloro 2(N,N-dimethylamino)ethylselenolato palladium(II)","","","- C22 H25 Cl N P Pd Se -","- C22 H25 Cl N P Pd Se -","- C88 H100 Cl4 N4 P4 Pd4 Se4 -","4","1","","Dey, Sandip; Jain, Vimal K.; Chaudhury, Satyajeet; Knoedler, Axel; Lissner, Falk; Kaim, Wolfgang","2-(Dimethylamino)ethaneselenolates of palladium(II): synthesis, structure, spectroscopy and transformation into palladium selenide","Journal of the Chemical Society, Dalton Transactions","2001","","5","723","","10.1039/b008310k","","","0.71073","MoKα","","0.0597","0.0478","","","0.1354","0.1469","","","","","","1.086","","","","has coordinates","243878","2020-10-21","18:00:00","" "7702483","10.7805","0.0005","13.1187","0.0009","16.6749","0.0008","90","","95.899","0.005","90","","2345.8","0.2","293","2","293","2","","","","","","","","6","P 1 21/a 1","-P 2yab","14","Tris[chloro 2(N,N-dimtehylamino)ethylselenato palladium(II)]","","","- C12 H30 Cl3 N3 Pd3 Se3 -","- C12 H26 Cl3 N3 Pd3 Se3 -","- C48 H104 Cl12 N12 Pd12 Se12 -","4","1","","Dey, Sandip; Jain, Vimal K.; Chaudhury, Satyajeet; Knoedler, Axel; Lissner, Falk; Kaim, Wolfgang","2-(Dimethylamino)ethaneselenolates of palladium(II): synthesis, structure, spectroscopy and transformation into palladium selenide","Journal of the Chemical Society, Dalton Transactions","2001","","5","723","","10.1039/b008310k","","","0.71073","MoKα","","0.052","0.0357","","","0.0838","0.0883","","","","","","0.884","","","","has coordinates","243878","2020-10-21","18:00:00","" "7702484","10.676","0.001","15.483","0.001","15.886","0.001","90","","92.751","0.001","90","","2622.9","0.3","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C38 H80 Cl Cr Cu2 N14 O8 -","- C38 H64 Cl Cr Cu2 N14 O8 -","- C76 H128 Cl2 Cr2 Cu4 N28 O16 -","2","0.5","","El Fallah, M. Salah; Ribas, Joan; Solans, Xavier; Font-Bardia, Mercé","Synthesis, structure and magnetic properties of a new one-dimensional copper(II) complex with [Cr(CN)6]3−. Comparison with the [Fe(CN)6]3− analogue","Journal of the Chemical Society, Dalton Transactions","2001","","3","247","","10.1039/b008314n","","","0.71069","MoKα","","0.174","0.0496","","","0.1324","0.158","","","","","","0.85","","","","has coordinates","243879","2020-10-21","18:00:00","" "7702485","11.338","0.004","32.719","0.01","10.643","0.004","90","","90","","90","","3948","2","293","2","290","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C42 H59 B Ni P2 -","- C42 H59 B Ni P2 -","- C168 H236 B4 Ni4 P8 -","4","1","","Tenorio, Manuel Jiménez; Puerta, M. Carmen; Salcedo, Isabel; Valerga, Pedro","Structural characterisation of cationic methylallyl, methylindenyl and pentamethylcyclopentadienyl nickel complexes containing the bulky phosphine 1,2-bis(diisopropylphosphino)ethane †","Journal of the Chemical Society, Dalton Transactions","2001","","5","653","","10.1039/b008441g","","","0.71069","MoKα","","0.1252","0.0932","","","0.2791","0.3099","","","","","","0.812","","","","has coordinates","243880","2020-10-21","18:00:00","" "7702486","13.252","0.003","16.619","0.004","10.964","0.005","100.65","0.02","105.09","0.02","94.31","0.02","2271.8","1.3","293","2","290","2","","","","","","","","6","P -1","-P 1","2","","","","- C48.83 H63.66 B Cl1.66 Ni P2 -","- C48.83 H62.66 B Cl1.66 Ni P2 -","- C97.66 H125.32 B2 Cl3.32 Ni2 P4 -","2","1","","Tenorio, Manuel Jiménez; Puerta, M. Carmen; Salcedo, Isabel; Valerga, Pedro","Structural characterisation of cationic methylallyl, methylindenyl and pentamethylcyclopentadienyl nickel complexes containing the bulky phosphine 1,2-bis(diisopropylphosphino)ethane †","Journal of the Chemical Society, Dalton Transactions","2001","","5","653","","10.1039/b008441g","","","0.71069","MoKα","","0.146","0.1025","","","0.2966","0.3924","","","","","","1.261","","","","has coordinates","243880","2020-10-21","18:00:00","" "7702487","14.207","0.004","21.302","0.005","14.514","0.004","90","","100.72","0.02","90","","4316","2","293","2","290","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C48 H67 B Ni P2 -","- C48 H67 B Ni P2 -","- C192 H268 B4 Ni4 P8 -","4","1","","Tenorio, Manuel Jiménez; Puerta, M. Carmen; Salcedo, Isabel; Valerga, Pedro","Structural characterisation of cationic methylallyl, methylindenyl and pentamethylcyclopentadienyl nickel complexes containing the bulky phosphine 1,2-bis(diisopropylphosphino)ethane †","Journal of the Chemical Society, Dalton Transactions","2001","","5","653","","10.1039/b008441g","","","0.71069","MoKα","","0.1382","0.0811","","","0.2517","0.2954","","","","","","1.06","","","","has coordinates","243880","2020-10-21","18:00:00","" "7702488","13.729","0.003","8.0736","0.0009","17.869","0.002","90","","90","","90","","1980.6","0.5","293","2","293","2","","","","","","","","6","P n a 21","P 2c -2n","33","Complex 1","","","- C16 H22 Cu N4 O8 S -","- C16 H14 Cu N4 O8 S -","- C64 H56 Cu4 N16 O32 S4 -","4","1","","Arnold, Phillip J.; Davies, Sian C.; Dilworth, Jonathan R.; Durrant, Marcus C.; Griffiths, D. Vaughan; Hughes, David L.; Richards, Raymond L.; Sharpe, Philip C.","Copper complexes of the functionalised tripodal ligand tris(2-pyridyl)methylamine and its derivatives †","Journal of the Chemical Society, Dalton Transactions","2001","","5","736","","10.1039/b008476j","","","0.71069","Mo-Kα","","0.0648","0.0537","","0.1389","0.1279","","","","1.077","1.128","1.128","","","","","has coordinates,has disorder","243881","2020-10-21","18:00:00","" "7702489","8.1466","0.0014","14.188","0.002","31.992","0.005","90","","90","","90","","3697.8","1","293","2","293","2","","","","","","","","6","P n m m :2","-P 2c 2bc","59","Complex 5","","","- C35 H40 Br4 Cu2 N8 O3 -","- C37.5 H24 Br4.113 Cu2 N8 O1.75 -","- C150 H96 Br16.452 Cu8 N32 O7 -","4","0.5","","Arnold, Phillip J.; Davies, Sian C.; Dilworth, Jonathan R.; Durrant, Marcus C.; Griffiths, D. Vaughan; Hughes, David L.; Richards, Raymond L.; Sharpe, Philip C.","Copper complexes of the functionalised tripodal ligand tris(2-pyridyl)methylamine and its derivatives †","Journal of the Chemical Society, Dalton Transactions","2001","","5","736","","10.1039/b008476j","","","0.71069","Mo-Kα","","0.1436","0.0729","","0.2561","0.185","","","","1.027","1.121","1.121","","","","","has coordinates","243881","2020-10-21","18:00:00","" "7702490","15.8308","0.0014","10.8103","0.0012","22.99","0.002","90","","111.259","0.008","90","","3666.7","0.6","293","2","293","2","","","","","","","","7","A 1 2/a 1","-A 2ya","15","Complex 6","","","- C35 H34 B2 Cu F8 N8 O -","- C35 H34 B2 Cu F8 N8 O -","- C140 H136 B8 Cu4 F32 N32 O4 -","4","0.5","","Arnold, Phillip J.; Davies, Sian C.; Dilworth, Jonathan R.; Durrant, Marcus C.; Griffiths, D. Vaughan; Hughes, David L.; Richards, Raymond L.; Sharpe, Philip C.","Copper complexes of the functionalised tripodal ligand tris(2-pyridyl)methylamine and its derivatives †","Journal of the Chemical Society, Dalton Transactions","2001","","5","736","","10.1039/b008476j","","","0.71069","Mo-Kα","","0.0579","0.0357","","0.0857","0.0745","","","","1.033","1.089","1.089","","","","","has coordinates,has disorder","243881","2020-10-21","18:00:00","" "7702491","11.714","0.002","13.828","0.002","23.072","0.003","90","","90","","90","","3737.2","1","293","2","293","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","Complex 9","","","- C36 H32 B2 Cu F8 N8 O2 -","- C36 H32 B2 Cu F8.04 N8 O2 -","- C144 H128 B8 Cu4 F32.16 N32 O8 -","4","0.5","","Arnold, Phillip J.; Davies, Sian C.; Dilworth, Jonathan R.; Durrant, Marcus C.; Griffiths, D. Vaughan; Hughes, David L.; Richards, Raymond L.; Sharpe, Philip C.","Copper complexes of the functionalised tripodal ligand tris(2-pyridyl)methylamine and its derivatives †","Journal of the Chemical Society, Dalton Transactions","2001","","5","736","","10.1039/b008476j","","","0.71069","Mo-Kα","","0.1437","0.0536","","0.1592","0.1104","","","","0.962","1.143","1.143","","","","","has coordinates","243881","2020-10-21","18:00:00","" "7702492","14.763","0.0012","11.1802","0.0015","14.511","0.002","90","","117.133","0.008","90","","2131.5","0.5","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","Complex 10","","","- C40 H50 Cu N8 O14 -","- C40 H50 Cu N8 O14 -","- C80 H100 Cu2 N16 O28 -","2","0.5","","Arnold, Phillip J.; Davies, Sian C.; Dilworth, Jonathan R.; Durrant, Marcus C.; Griffiths, D. Vaughan; Hughes, David L.; Richards, Raymond L.; Sharpe, Philip C.","Copper complexes of the functionalised tripodal ligand tris(2-pyridyl)methylamine and its derivatives †","Journal of the Chemical Society, Dalton Transactions","2001","","5","736","","10.1039/b008476j","","","0.71069","Mo-Kα","","0.0572","0.0405","","0.1223","0.1034","","","","1.056","1.108","1.108","","","","","has coordinates","243881","2020-10-21","18:00:00","" "7702493","9.1541","0.0014","13.264","0.002","14.255","0.004","90","","95.24","0.02","90","","1723.6","0.6","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","Complex 18","","","- C26 H36 Cu2 N6 O11 S4 -","- C26 H34 Cu2 N6 O11 S4 -","- C52 H68 Cu4 N12 O22 S8 -","2","0.5","","Arnold, Phillip J.; Davies, Sian C.; Dilworth, Jonathan R.; Durrant, Marcus C.; Griffiths, D. Vaughan; Hughes, David L.; Richards, Raymond L.; Sharpe, Philip C.","Copper complexes of the functionalised tripodal ligand tris(2-pyridyl)methylamine and its derivatives †","Journal of the Chemical Society, Dalton Transactions","2001","","5","736","","10.1039/b008476j","","","0.71069","Mo-Kα","","0.0787","0.0489","","0.1176","0.0976","","","","1.048","1.091","1.091","","","","","has coordinates","243881","2020-10-21","18:00:00","" "7702494","16.5362","0.0015","13.789","0.002","22.407","0.002","90","","111.652","0.008","90","","4748.7","1","293","2","293","2","","","","","","","","6","P 1 21/a 1","-P 2yab","14","Complex 20","","","- C32 H58 N8 O27 S3 Zn3 -","- C32 H44 N8 O27 S3 Zn3 -","- C128 H176 N32 O108 S12 Zn12 -","4","1","","Arnold, Phillip J.; Davies, Sian C.; Dilworth, Jonathan R.; Durrant, Marcus C.; Griffiths, D. Vaughan; Hughes, David L.; Richards, Raymond L.; Sharpe, Philip C.","Copper complexes of the functionalised tripodal ligand tris(2-pyridyl)methylamine and its derivatives †","Journal of the Chemical Society, Dalton Transactions","2001","","5","736","","10.1039/b008476j","","","0.71069","Mo-Kα","","0.0544","0.0436","","0.1154","0.1045","","","","1.079","1.083","1.083","","","","","has coordinates","243881","2020-10-21","18:00:00","" "7702495","8.366","0.002","9.211","0.002","17.89","0.004","83.04","0.03","82.43","0.03","89.25","0.03","1356.5","0.5","213","2","213","2","","","","","","","","6","P -1","-P 1","2","","(Tetrachlorocatecholato-O,O')-(((6-methyl-2-pyridyl)methyl)bis ((2-pyridyl)methyl)amine)-iron(III) nitrate","","- C25 H20 Cl4 Fe N5 O5 -","- C25 H20 Cl4 Fe N5 O5 -","- C50 H40 Cl8 Fe2 N10 O10 -","2","1","","Pascaly, Matthias; Duda, Mark; Schweppe, Florian; Zurlinden, Kristin; Müller, Felizitas K.; Krebs, Bernt","The systematic influence of tripodal ligands on the catechol cleaving activity of iron(III) containing model compounds for catechol 1,2-dioxygenases †","Journal of the Chemical Society, Dalton Transactions","2001","","6","828","","10.1039/b008511l","","","0.71073","MoKα","","0.1565","0.0756","","","0.1576","0.1974","","","","","","1.074","","","","has coordinates","243882","2020-10-21","18:00:00","" "7702496","9.12","0.002","35.402","0.007","8.666","0.002","90","","92.93","0.03","90","","2794.3","1","213","2","213","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","(Tetrachlorocatecholato-O,O')-(bis((2-pyridyl)methyl) ((1-methylimidazol-2-yl)methyl)amine)-iron(III) perchlorate","","- C23 H19 Cl5 Fe N5 O6 -","- C23 H19 Cl5 Fe N5 O6 -","- C92 H76 Cl20 Fe4 N20 O24 -","4","1","","Pascaly, Matthias; Duda, Mark; Schweppe, Florian; Zurlinden, Kristin; Müller, Felizitas K.; Krebs, Bernt","The systematic influence of tripodal ligands on the catechol cleaving activity of iron(III) containing model compounds for catechol 1,2-dioxygenases †","Journal of the Chemical Society, Dalton Transactions","2001","","6","828","","10.1039/b008511l","","","0.71073","MoKα","","0.0868","0.0592","","","0.1312","0.1471","","","","","","1.09","","","","has coordinates","243882","2020-10-21","18:00:00","" "7702497","9.553","0.002","17.66","0.004","20.095","0.004","90","","102.13","0.03","90","","3314.5","1.3","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","(Tetrachlorocatecholato-O,O')-(bis((2-pyridyl)methyl) ((2-quinolyl)methyl)amine)-iron(III) perchlorate ethanol solvate","","- C30 H26 Cl5 Fe N4 O7 -","- C30 H26 Cl5 Fe N4 O7 -","- C120 H104 Cl20 Fe4 N16 O28 -","4","1","","Pascaly, Matthias; Duda, Mark; Schweppe, Florian; Zurlinden, Kristin; Müller, Felizitas K.; Krebs, Bernt","The systematic influence of tripodal ligands on the catechol cleaving activity of iron(III) containing model compounds for catechol 1,2-dioxygenases †","Journal of the Chemical Society, Dalton Transactions","2001","","6","828","","10.1039/b008511l","","","0.71073","MoKα","","0.1254","0.085","","","0.2119","0.2347","","","","","","1.025","","","","has coordinates","243882","2020-10-21","18:00:00","" "7702498","8.512","0.002","9.754","0.002","19.977","0.004","88.17","0.03","82.94","0.03","88.38","0.03","1644.7","0.6","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","(Tetrachlorocatecholato-O,O')-(((2-benzimidazol-2-yl)methyl)bis ((2-pyridyl)methyl)amine)-iron(III) perchlorate acetone solvate","","- C29 H25 Cl5 Fe N5 O7 -","- C29 H25 Cl5 Fe N5 O7 -","- C58 H50 Cl10 Fe2 N10 O14 -","2","1","","Pascaly, Matthias; Duda, Mark; Schweppe, Florian; Zurlinden, Kristin; Müller, Felizitas K.; Krebs, Bernt","The systematic influence of tripodal ligands on the catechol cleaving activity of iron(III) containing model compounds for catechol 1,2-dioxygenases †","Journal of the Chemical Society, Dalton Transactions","2001","","6","828","","10.1039/b008511l","","","0.71073","MoKα","","0.0536","0.0416","","","0.1173","0.122","","","","","","1.072","","","","has coordinates","243882","2020-10-21","18:00:00","" "7702499","11.946","0.003","14.175","0.004","12.044","0.003","90","","117.787","0.005","90","","1804.3","0.8","295","2","295","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C11 H25 Co O8 Ta -","- C11 H25 Co O8 Ta -","- C44 H100 Co4 O32 Ta4 -","4","1","","Werndrup, Pia; Kessler, Vadim G.","Interaction of Co(acac)2 and Ta(OMe)5: isolation and single crystal study of the products. MII2MV2(acac)2(OMe)12, MII = Co, Ni, Zn or Mg and MV = Ta or Nb: A new class of heterometallic heteroleptic alkoxide complexes","Journal of the Chemical Society, Dalton Transactions","2001","","5","574","","10.1039/b008526j","","","0.71073","MoKα","","0.1341","0.0617","","","0.1366","0.1505","","","","","","0.862","","","","has coordinates","243884","2020-10-21","18:00:00","" "7702500","7.4134","0.0008","14.5311","0.0015","24.678","0.003","90","","90","","90","","2658.4","0.5","295","2","295","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C9 H19 O6 Ta -","- C9 H19 O6 Ta -","- C72 H152 O48 Ta8 -","8","1","","Werndrup, Pia; Kessler, Vadim G.","Interaction of Co(acac)2 and Ta(OMe)5: isolation and single crystal study of the products. MII2MV2(acac)2(OMe)12, MII = Co, Ni, Zn or Mg and MV = Ta or Nb: A new class of heterometallic heteroleptic alkoxide complexes","Journal of the Chemical Society, Dalton Transactions","2001","","5","574","","10.1039/b008526j","","","0.71073","MoKα","","0.0653","0.0411","","","0.094","0.0989","","","","","","0.867","","","","has coordinates","243884","2020-10-21","18:00:00","" "7702501","10.6192","0.0016","11.9216","0.0018","18.284","0.003","72.429","0.003","89.482","0.003","83.716","0.003","2192.8","0.6","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C34 H56 Co4 O16 -","- C34 H54 Co4 O16 -","- C68 H108 Co8 O32 -","2","1","","Werndrup, Pia; Kessler, Vadim G.","Interaction of Co(acac)2 and Ta(OMe)5: isolation and single crystal study of the products. MII2MV2(acac)2(OMe)12, MII = Co, Ni, Zn or Mg and MV = Ta or Nb: A new class of heterometallic heteroleptic alkoxide complexes","Journal of the Chemical Society, Dalton Transactions","2001","","5","574","","10.1039/b008526j","","","0.71073","MoKα","","0.1438","0.0693","","","0.1566","0.1751","","","","","","0.84","","","","has coordinates","243884","2020-10-21","18:00:00","" "7702502","5.228","0.003","8.553","0.006","9.744","0.007","108.127","0.012","90.263","0.012","105.385","0.013","397.4","0.5","295","2","295","2","","","","","","","","4","P -1","-P 1","2","","","","- C12 H22 Co O6 -","- C12 H22 Co O6 -","- C12 H22 Co O6 -","1","0.5","","Werndrup, Pia; Kessler, Vadim G.","Interaction of Co(acac)2 and Ta(OMe)5: isolation and single crystal study of the products. MII2MV2(acac)2(OMe)12, MII = Co, Ni, Zn or Mg and MV = Ta or Nb: A new class of heterometallic heteroleptic alkoxide complexes","Journal of the Chemical Society, Dalton Transactions","2001","","5","574","","10.1039/b008526j","","","0.71073","MoKα","","0.0783","0.0552","","","0.149","0.1528","","","","","","0.9","","","","has coordinates","243884","2020-10-21","18:00:00","" "7702503","12.455","0.007","20.295","0.012","8.74","0.005","90","","126.266","0.009","90","","1781.3","1.8","295","2","295","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C22 H50 Co2 Nb2 O16 -","- C22 H52 Co2 Nb2 O16 -","- C44 H104 Co4 Nb4 O32 -","2","0.25","","Werndrup, Pia; Kessler, Vadim G.","Interaction of Co(acac)2 and Ta(OMe)5: isolation and single crystal study of the products. MII2MV2(acac)2(OMe)12, MII = Co, Ni, Zn or Mg and MV = Ta or Nb: A new class of heterometallic heteroleptic alkoxide complexes","Journal of the Chemical Society, Dalton Transactions","2001","","5","574","","10.1039/b008526j","","","0.71073","MoKα","","0.0766","0.0492","","","0.1237","0.1338","","","","","","0.91","","","","has coordinates","243884","2020-10-21","18:00:00","" "7702504","11.875","0.003","14.158","0.003","11.925","0.003","90","","117.538","0.004","90","","1777.8","0.7","295","2","295","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H50 Ni2 O16 Ta2 -","- C22 H44 Ni2 O16 Ta2 -","- C44 H88 Ni4 O32 Ta4 -","2","0.5","","Werndrup, Pia; Kessler, Vadim G.","Interaction of Co(acac)2 and Ta(OMe)5: isolation and single crystal study of the products. MII2MV2(acac)2(OMe)12, MII = Co, Ni, Zn or Mg and MV = Ta or Nb: A new class of heterometallic heteroleptic alkoxide complexes","Journal of the Chemical Society, Dalton Transactions","2001","","5","574","","10.1039/b008526j","","","0.71073","MoKα","","0.1153","0.0865","","","0.1798","0.1872","","","","","","1.054","","","","has coordinates","243884","2020-10-21","18:00:00","" "7702505","11.9606","0.0014","14.1848","0.0017","12.0136","0.0014","90","","117.844","0.002","90","","1802.2","0.4","295","2","295","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H50 O16 Ta2 Zn2 -","- C22 H50 O16 Ta2 Zn2 -","- C44 H100 O32 Ta4 Zn4 -","2","0.5","","Werndrup, Pia; Kessler, Vadim G.","Interaction of Co(acac)2 and Ta(OMe)5: isolation and single crystal study of the products. MII2MV2(acac)2(OMe)12, MII = Co, Ni, Zn or Mg and MV = Ta or Nb: A new class of heterometallic heteroleptic alkoxide complexes","Journal of the Chemical Society, Dalton Transactions","2001","","5","574","","10.1039/b008526j","","","0.71073","MoKα","","0.1317","0.0854","","","0.1784","0.1892","","","","","","1.137","","","","has coordinates","243884","2020-10-21","18:00:00","" "7702506","12.462","0.002","20.282","0.004","8.7636","0.0017","90","","126.209","0.003","90","","1787.2","0.6","295","2","295","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C22 H50 Mg2 O16 Ta2 -","- C22 H47 Mg2 O16 Ta2 -","- C44 H94 Mg4 O32 Ta4 -","2","0.25","","Werndrup, Pia; Kessler, Vadim G.","Interaction of Co(acac)2 and Ta(OMe)5: isolation and single crystal study of the products. MII2MV2(acac)2(OMe)12, MII = Co, Ni, Zn or Mg and MV = Ta or Nb: A new class of heterometallic heteroleptic alkoxide complexes","Journal of the Chemical Society, Dalton Transactions","2001","","5","574","","10.1039/b008526j","","","0.71073","MoKα","","0.1299","0.0718","","","0.1849","0.2054","","","","","","1.091","","","","has coordinates","243884","2020-10-21","18:00:00","" "7702507","15.947","0.017","23.9","0.03","16.64","0.019","90","","96.769","0.01","90","","6298","13","293","2","293","2","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C63 H58 Cl N4 O15 Re -","- C63 H58 Cl N4 O15 Re -","- C252 H232 Cl4 N16 O60 Re4 -","4","1","","Cooper, James B.; Drew, Michael G. B.; Beer, Paul D.","Heteroditopic rhenium(I) and ruthenium(II) bipyridyl calix[4]arene receptors for binding cation‒anion ion pairs","Journal of the Chemical Society, Dalton Transactions","2001","","4","392","","10.1039/b008576f","","","0.71073","MoKα","","0.2151","0.0961","","","0.25","0.3055","","","","","","0.928","","","","has coordinates","243885","2020-10-21","18:00:00","" "7702508","6.491","0.003","20.146","0.015","11.073","0.009","90","","92.34","0.02","90","","1446.8","1.7","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C13 H19 Ag N4 O4 -","- C13 H19 Ag N4 O4 -","- C52 H76 Ag4 N16 O16 -","4","1","","Zheng, Shao-Liang; Tong, Ming-Liang; Yu, Xiao-Lan; Chen, Xiao-Ming","Syntheses and structures of six chain-, ladder- and grid-like co-ordination polymers constructed from μ-hexamethylenetetramine and silver salts","Journal of the Chemical Society, Dalton Transactions","2001","","5","586","","10.1039/b009068i","","","0.71073","MoKα","","0.0824","0.0679","","","0.2236","0.2415","","","","","","1.066","","","","has coordinates","243886","2020-10-21","18:00:00","" "7702509","20.121","0.01","6.491","0.001","11.417","0.006","90","","90","","90","","1491.1","1.1","293","2","293","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C13 H20 Ag N5 O3 -","- C13 H20 Ag N5 O3 -","- C52 H80 Ag4 N20 O12 -","4","0.5","","Zheng, Shao-Liang; Tong, Ming-Liang; Yu, Xiao-Lan; Chen, Xiao-Ming","Syntheses and structures of six chain-, ladder- and grid-like co-ordination polymers constructed from μ-hexamethylenetetramine and silver salts","Journal of the Chemical Society, Dalton Transactions","2001","","5","586","","10.1039/b009068i","","","0.71073","MoKα","","0.117","0.0646","","","0.1458","0.1725","","","","","","1.075","","","","has coordinates","243886","2020-10-21","18:00:00","" "7702510","21.562","0.008","6.522","0.002","11.146","0.004","90","","91.9","0.02","90","","1566.6","0.9","293","2","293","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C26 H38 Ag2 N8 O7 -","- C26 H38 Ag2 N8 O7 -","- C52 H76 Ag4 N16 O14 -","2","0.25","","Zheng, Shao-Liang; Tong, Ming-Liang; Yu, Xiao-Lan; Chen, Xiao-Ming","Syntheses and structures of six chain-, ladder- and grid-like co-ordination polymers constructed from μ-hexamethylenetetramine and silver salts","Journal of the Chemical Society, Dalton Transactions","2001","","5","586","","10.1039/b009068i","","","0.71073","MoKα","","0.0629","0.0493","","","0.132","0.1409","","","","","","1.066","","","","has coordinates","243886","2020-10-21","18:00:00","" "7702511","16.139","0.009","14.005","0.006","12.626","0.004","90","","90","","90","","2854","2","293","2","293","2","","","","","","","","5","A e a 2","A 2 -2ab","41","","","","- C12 H17 Ag N5 O2.5 -","- C12 H17 Ag N5 O2.5 -","- C96 H136 Ag8 N40 O20 -","8","1","","Zheng, Shao-Liang; Tong, Ming-Liang; Yu, Xiao-Lan; Chen, Xiao-Ming","Syntheses and structures of six chain-, ladder- and grid-like co-ordination polymers constructed from μ-hexamethylenetetramine and silver salts","Journal of the Chemical Society, Dalton Transactions","2001","","5","586","","10.1039/b009068i","","","0.71073","MoKα","","0.0401","0.0327","","","0.0834","0.0876","","","","","","1.049","","","","has coordinates","243886","2020-10-21","18:00:00","" "7702512","6.442","0.003","19.385","0.013","11.262","0.008","90","","100.94","0.02","90","","1380.8","1.5","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C12 H17 Ag N4 O2 S -","- C12 H17 Ag N4 O2 S -","- C48 H68 Ag4 N16 O8 S4 -","4","1","","Zheng, Shao-Liang; Tong, Ming-Liang; Yu, Xiao-Lan; Chen, Xiao-Ming","Syntheses and structures of six chain-, ladder- and grid-like co-ordination polymers constructed from μ-hexamethylenetetramine and silver salts","Journal of the Chemical Society, Dalton Transactions","2001","","5","586","","10.1039/b009068i","","","0.71073","MoKα","","0.0514","0.0392","","","0.1015","0.1086","","","","","","1.051","","","","has coordinates","243886","2020-10-21","18:00:00","" "7702513","6.563","0.002","9.187","0.006","10.553","0.005","76.75","0.02","79.47","0.02","87.49","0.02","608.9","0.5","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H36 Ag2 N8 O8 -","- C16 H36 Ag2 N8 O8 -","- C16 H36 Ag2 N8 O8 -","1","0.5","","Zheng, Shao-Liang; Tong, Ming-Liang; Yu, Xiao-Lan; Chen, Xiao-Ming","Syntheses and structures of six chain-, ladder- and grid-like co-ordination polymers constructed from μ-hexamethylenetetramine and silver salts","Journal of the Chemical Society, Dalton Transactions","2001","","5","586","","10.1039/b009068i","","","0.71073","MoKα","","0.0551","0.0414","","","0.101","0.1067","","","","","","1.045","","","","has coordinates","243886","2020-10-21","18:00:00","" "7702514","21.416","0.003","13.944","0.002","32.317","0.004","90","","90","","90","","9651","2","153","2","153","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C72 H128 Ba6 N16 O12 Si4 -","- C72 H128 Ba6 N16 O12 Si4 -","- C288 H512 Ba24 N64 O48 Si16 -","4","0.5","","Steiner, Alexander; Lawson, Gavin T.; Walfort, Bernhard; Leusser, Dirk; Stalke, Dietmar","[(thf )6Ba6(dmpz)8{(OSiMe2)2O}2] (dmpz = 3,5-dimethylpyrazolate): a molecule with six barium cations in a plane capped by two siloxane dianions and framed by eight dmpz anions †","Journal of the Chemical Society, Dalton Transactions","2001","","3","219","","10.1039/b009121i","","","0.71073","MoKa","","0.0814","0.0474","","0.1098","0.09","","","","1.057","1.083","1.083","","","","","has coordinates","243887","2020-10-21","18:00:00","" "7702515","22.0658","0.001","17.1093","0.0008","29.2595","0.0009","90","","105.651","0.002","90","","10636.8","0.8","150","2","150","2","","","","","","","","4","C 1 c 1","C -2yc","9","99002","","","- C41 H80 O12 Si8 -","- C40.994 H60.5 O12 Si8 -","- C327.952 H484 O96 Si64 -","8","2","","Arnold, Polly L.; Blake, Alexander J.; Hall, Sarah N.; Ward, Benjamin D.; Wilson, Claire","A functional model for lanthanide doped silicate materials: synthesis of an apically substituted samarium silsesquioxane complex","Journal of the Chemical Society, Dalton Transactions","2001","","4","488","","10.1039/b009123p","","","0.71073","MoKα","","0.173","0.0758","","","0.169","0.2153","","","","","","0.969","","","","has coordinates,has disorder","243888","2020-10-21","18:00:00","" "7702516","17.54","0.002","31.945","0.003","21.3","0.002","90","","90","","90","","11935","2","150","2","150","2","","","","","","","","6","P c a 21","P 2c -2ac","29","00001","","","- C96 H177 Li2 O25 Si16 Sm -","- C96 H160 Li2 O25 Si16 Sm -","- C384 H640 Li8 O100 Si64 Sm4 -","4","1","","Arnold, Polly L.; Blake, Alexander J.; Hall, Sarah N.; Ward, Benjamin D.; Wilson, Claire","A functional model for lanthanide doped silicate materials: synthesis of an apically substituted samarium silsesquioxane complex","Journal of the Chemical Society, Dalton Transactions","2001","","4","488","","10.1039/b009123p","","","0.71073","MoKα","","0.112","0.0766","","","0.175","0.199","","","","","","1.09","","","","has coordinates,has disorder","243888","2020-10-21","18:00:00","" "7702517","7.305","0.005","11.625","0.005","14.837","0.005","109.05","0.05","102.49","0.05","94.14","0.05","1148.8","1.1","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C20 H15 Cd N5 O6 S2 -","- C20 H15 Cd N5 O6 S2 -","- C40 H30 Cd2 N10 O12 S4 -","2","1","","Yang, Guang; Zhu, Huai-Gang; Liang, Bing-Hua; Chen, Xiao-Ming","Syntheses and crystal structures of four metal‒organic co-ordination networks constructed from cadmium(II) thiocyanate and nicotinic acid derivatives with hydrogen bonds","Journal of the Chemical Society, Dalton Transactions","2001","","5","580","","10.1039/b009129o","","","0.71073","MoKα","","0.0607","0.0362","","","0.0757","0.0839","","","","","","1.012","","","","has coordinates","243889","2020-10-21","18:00:00","" "7702518","24.29","0.012","9.863","0.004","7.617","0.003","90","","92.67","","90","","1822.8","1.4","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C14 H14 Cd N6 O3 S2 -","- C14 H14 Cd N6 O3 S2 -","- C56 H56 Cd4 N24 O12 S8 -","4","0.5","","Yang, Guang; Zhu, Huai-Gang; Liang, Bing-Hua; Chen, Xiao-Ming","Syntheses and crystal structures of four metal‒organic co-ordination networks constructed from cadmium(II) thiocyanate and nicotinic acid derivatives with hydrogen bonds","Journal of the Chemical Society, Dalton Transactions","2001","","5","580","","10.1039/b009129o","","","0.71073","MoKα","","0.0492","0.0341","","","0.0832","0.091","","","","","","0.963","","","","has coordinates","243889","2020-10-21","18:00:00","" "7702519","11.786","0.01","9.667","0.004","8.112","0.004","90","","107.62","","90","","880.9","0.9","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C14 H12 Cd N6 O2 S2 -","- C14 H12 Cd N6 O2 S2 -","- C28 H24 Cd2 N12 O4 S4 -","2","0.5","","Yang, Guang; Zhu, Huai-Gang; Liang, Bing-Hua; Chen, Xiao-Ming","Syntheses and crystal structures of four metal‒organic co-ordination networks constructed from cadmium(II) thiocyanate and nicotinic acid derivatives with hydrogen bonds","Journal of the Chemical Society, Dalton Transactions","2001","","5","580","","10.1039/b009129o","","","0.71073","MoKα","","0.0345","0.0296","","","0.075","0.0781","","","","","","1.051","","","","has coordinates","243889","2020-10-21","18:00:00","" "7702520","6.052","0.002","14.763","0.008","11.423","0.005","90","","94.26","","90","","1017.8","0.8","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C7 H6 Cd N2 O3 S -","- C7 H6 Cd N2 O3 S -","- C28 H24 Cd4 N8 O12 S4 -","4","1","","Yang, Guang; Zhu, Huai-Gang; Liang, Bing-Hua; Chen, Xiao-Ming","Syntheses and crystal structures of four metal‒organic co-ordination networks constructed from cadmium(II) thiocyanate and nicotinic acid derivatives with hydrogen bonds","Journal of the Chemical Society, Dalton Transactions","2001","","5","580","","10.1039/b009129o","","","0.71073","MoKα","","0.0515","0.0392","","","0.1057","0.1121","","","","","","1.054","","","","has coordinates","243889","2020-10-21","18:00:00","" "7702521","8.869","0.001","12.965","0.002","14.165","0.002","90","","96.01","0.01","90","","1619.8","0.4","293","","293","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H52 Mn2 N8 O10 -","- C26 H52 Mn2 N8 O10 -","- C52 H104 Mn4 N16 O20 -","2","0.5","","Bianchi, Antonio; Calabi, Luisella; Giorgi, Claudia; Losi, Pietro; Mariani, Palma; Palano, Daniela; Paoli, Paola; Rossi, Patrizia; Valtancoli, Barbara","Thermodynamic and structural aspects of manganese(II) complexes with polyaminopolycarboxylic ligands based upon 1,4,7,10-tetraazacyclododecane (cyclen). Crystal structure of dimeric [MnL]2·2CH3OH containing the new ligand 1,4,7,10-tetraazacyclododecane-1,4-diacetate","Journal of the Chemical Society, Dalton Transactions","2001","","6","917","","10.1039/b009242h","","","0.71068","MoKα","","0.084","0.0778","","0.2174","0.2104","","","","1.036","1.072","1.072","","","","","has coordinates","243890","2020-10-21","18:00:00","" "7702522","10.758","0.002","11.121","0.002","14.558","0.003","102.47","0.02","102.42","0.02","77.26","0.02","1632.9","0.6","148","2","148","2","","","","","","","","9","P -1","-P 1","2","","","","- C29.5 H33 Cl F3 N O5 P Re S2 -","- C29.5 H33 Cl F3 N O5 P Re S2 -","- C59 H66 Cl2 F6 N2 O10 P2 Re2 S4 -","2","1","","Otto, Michael; Boone, Brian J.; Arif, Atta M.; Gladysz, J. A.","Synthesis, structure, and interconversion of chiral rhenium oxygen- and sulfur-bound sulfoxide complexes of formula [(η5-C5H5)Re(NO)(PPh3)(OS(Me)R)]+ X−; diastereoselective oxidations of coordinated methyl alkyl sulfides †","Journal of the Chemical Society, Dalton Transactions","2001","","8","1218","","10.1039/b009533h","","","0.71073","MoKα","","0.052","0.0445","","","0.1149","0.1189","","","","","","1.01","","","","has coordinates,has disorder","243891","2020-10-21","18:00:00","" "7702523","11.048","0.001","12.952","0.001","15.721","0.002","73.77","0.01","73.61","0.01","68.15","0.01","1964.3","0.4","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C42 H28 Cl2 N8 O8 Ru -","- C42 H28 Cl2 N8 O8 Ru -","- C84 H56 Cl4 N16 O16 Ru2 -","2","1","","Chao, Hui; Yang, Guang; Xue, Gen-Qiang; Li, Hong; Zang, Hao; Williams, Ian D.; Ji, Liang-Nian; Chen, Xiao-Ming; Li, Xiao-Yuan","Ruthenium(II) complexes containing novel asymmetric tridentate ligands: synthesis, structure, electrochemical and spectroscopic properties","Journal of the Chemical Society, Dalton Transactions","2001","","8","1326","","10.1039/b009680f","","","0.71073","MoKα","","0.0915","0.0579","","0.1565","0.1272","","","","1.045","1.084","1.084","","","","","has coordinates","243892","2020-10-21","18:00:00","" "7702524","12.3635","0.0019","26.21","0.004","12.4622","0.0019","90","","102.797","0.003","90","","3938","1","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C42 H27 Cl2 N9 O8 Ru -","- C42 H24 Cl2 N9 O8 Ru -","- C168 H96 Cl8 N36 O32 Ru4 -","4","1","","Chao, Hui; Yang, Guang; Xue, Gen-Qiang; Li, Hong; Zang, Hao; Williams, Ian D.; Ji, Liang-Nian; Chen, Xiao-Ming; Li, Xiao-Yuan","Ruthenium(II) complexes containing novel asymmetric tridentate ligands: synthesis, structure, electrochemical and spectroscopic properties","Journal of the Chemical Society, Dalton Transactions","2001","","8","1326","","10.1039/b009680f","","","0.71073","MoKα","","0.0888","0.0484","","","0.1384","0.1666","","","","","","0.91","","","","has coordinates","243892","2020-10-21","18:00:00","" "7702525","14.758","0.007","16.92","0.007","16.887","0.004","90","","90.68","","90","","4216","3","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C42 H28 Cl2 N8 O9 Ru -","- C42 H26 Cl2 N8 O9 Ru -","- C168 H104 Cl8 N32 O36 Ru4 -","4","1","","Chao, Hui; Yang, Guang; Xue, Gen-Qiang; Li, Hong; Zang, Hao; Williams, Ian D.; Ji, Liang-Nian; Chen, Xiao-Ming; Li, Xiao-Yuan","Ruthenium(II) complexes containing novel asymmetric tridentate ligands: synthesis, structure, electrochemical and spectroscopic properties","Journal of the Chemical Society, Dalton Transactions","2001","","8","1326","","10.1039/b009680f","","","0.71073","MoKα","","0.1291","0.0793","","","0.2075","0.2406","","","","","","1.03","","","","has coordinates","243892","2020-10-21","18:00:00","" "7702526","7.95","0.011","22.307","0.027","18.298","0.023","90","","90","","90","","3245","7","293","2","293","2","","","","","","","","7","P 1 21/a 1","-P 2yab","14","","","","- C11 H18 Br Cl Cu N4 O4 -","- C11 H18 Br Cl Cu N4 O4 -","- C88 H144 Br8 Cl8 Cu8 N32 O32 -","8","2","","Félix, Vitor; Costa, Judite; Delgado, Rita; Drew, Michael G. B.; Duarte, Maria Teresa; Resende, Catarina","X-Ray diffraction and molecular mechanics studies of 12-, 13-, and 14-membered tetraaza macrocycles containing pyridine: effect of the macrocyclic cavity size on the selectivity of the metal ion","Journal of the Chemical Society, Dalton Transactions","2001","","9","1462","","10.1039/b009773j","","","0.71073","MoKα","","0.1203","0.0703","","","0.1862","0.2129","","","","","","1.085","","","","has coordinates","243893","2020-10-21","18:00:00","" "7702527","8.559","0.003","9.592","0.003","11.803","0.003","77.69","0.02","75.19","0.02","88.56","0.02","914.8","0.5","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C12 H20 Br Cu F6 N4 P -","- C12 H20 Br Cu F6 N4 P -","- C24 H40 Br2 Cu2 F12 N8 P2 -","2","1","","Félix, Vitor; Costa, Judite; Delgado, Rita; Drew, Michael G. B.; Duarte, Maria Teresa; Resende, Catarina","X-Ray diffraction and molecular mechanics studies of 12-, 13-, and 14-membered tetraaza macrocycles containing pyridine: effect of the macrocyclic cavity size on the selectivity of the metal ion","Journal of the Chemical Society, Dalton Transactions","2001","","9","1462","","10.1039/b009773j","","","0.71069","MoKα","","0.107","0.0731","","","0.1745","0.2043","","","","","","1.048","","","","has coordinates","243893","2020-10-21","18:00:00","" "7702528","8.162","0.002","8.874","0.002","13.989","0.002","91.36","0.03","104.48","0.02","113.52","0.02","890.8","0.4","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C12 H20 Cl2 N4 Ni O8 -","- C12 H20 Cl2 N4 Ni O8 -","- C24 H40 Cl4 N8 Ni2 O16 -","2","1","","Félix, Vitor; Costa, Judite; Delgado, Rita; Drew, Michael G. B.; Duarte, Maria Teresa; Resende, Catarina","X-Ray diffraction and molecular mechanics studies of 12-, 13-, and 14-membered tetraaza macrocycles containing pyridine: effect of the macrocyclic cavity size on the selectivity of the metal ion","Journal of the Chemical Society, Dalton Transactions","2001","","9","1462","","10.1039/b009773j","","","0.71069","MoKα","","0.0772","0.069","","","0.1826","0.1943","","","","","","1.077","","","","has coordinates,has disorder","243893","2020-10-21","18:00:00","" "7702529","9.5178","0.0002","13.9439","0.0002","18.3494","0.0002","90","","93.118","0.001","90","","2431.64","0.07","296","2","296","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C18 H26 Cl2 Cu N4 O10 -","- C18 H26 Cl2 Cu N4 O10 -","- C72 H104 Cl8 Cu4 N16 O40 -","4","2","","Jubert, Caroline; Mohamadou, Aminou; Marrot, Jérôme; Barbier, Jean-Pierre","Structural effects of potentially hexadentate N4O2, N4S2 or N6 ligands involving pyridine, amine and ether or thioether donors: crystal structure of copper(II) and zinc(II) complexes †","Journal of the Chemical Society, Dalton Transactions","2001","","8","1230","","10.1039/b010074i","","","0.71073","MoKα","","0.0578","0.0388","","","0.0979","0.1087","","","","","","1.003","","","","has coordinates","243894","2020-10-21","18:00:00","" "7702530","13.5168","0.0009","9.8812","0.0003","19.824","0.001","90","","109.594","0.005","90","","2494.4","0.2","294","","294","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C18 H26 Cl2 N4 O8 S2 Zn -","- C18 H26 Cl2 N4 O8 S2 Zn -","- C72 H104 Cl8 N16 O32 S8 Zn4 -","4","1","","Jubert, Caroline; Mohamadou, Aminou; Marrot, Jérôme; Barbier, Jean-Pierre","Structural effects of potentially hexadentate N4O2, N4S2 or N6 ligands involving pyridine, amine and ether or thioether donors: crystal structure of copper(II) and zinc(II) complexes †","Journal of the Chemical Society, Dalton Transactions","2001","","8","1230","","10.1039/b010074i","","","0.71073","Mo-Kα","","0.122","0.036","","0.246","","0.064","","","6.763","","","1.131","","","","has coordinates","243894","2020-10-21","18:00:00","" "7702531","9.3266","0.0005","11.677","0.0005","12.2295","0.0005","94.039","0.005","99.52","0.005","107.008","0.005","1246.08","0.11","173","","173","","","","","","","","","6","P -1","-P 1","2","","","","- C18 H28 Cl2 N4 O11 Zn -","- C18 H24 Cl2 N4 O11 Zn -","- C36 H48 Cl4 N8 O22 Zn2 -","2","1","","Jubert, Caroline; Mohamadou, Aminou; Marrot, Jérôme; Barbier, Jean-Pierre","Structural effects of potentially hexadentate N4O2, N4S2 or N6 ligands involving pyridine, amine and ether or thioether donors: crystal structure of copper(II) and zinc(II) complexes †","Journal of the Chemical Society, Dalton Transactions","2001","","8","1230","","10.1039/b010074i","","","0.71073","Mo-Kα","","0.093","0.055","","0.824","","0.08","","","14.957","","","1.332","","","","has coordinates","243894","2020-10-21","18:00:00","" "7702532","10.5701","0.0005","15.8048","0.0009","15.2231","0.0006","90","","98.749","0.005","90","","2513.6","0.2","173","","173","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C18 H30 Cl2 N6 O9 Zn -","- C18 H28 Cl2 N6 O9 Zn -","- C72 H112 Cl8 N24 O36 Zn4 -","4","1","","Jubert, Caroline; Mohamadou, Aminou; Marrot, Jérôme; Barbier, Jean-Pierre","Structural effects of potentially hexadentate N4O2, N4S2 or N6 ligands involving pyridine, amine and ether or thioether donors: crystal structure of copper(II) and zinc(II) complexes †","Journal of the Chemical Society, Dalton Transactions","2001","","8","1230","","10.1039/b010074i","","","0.71073","Mo-Kα","","0.084","0.045","","0.363","","0.066","","","7.097","","","1.224","","","","has coordinates","243894","2020-10-21","18:00:00","" "7702533","7.01","0.001","17.674","0.001","9.648","0.001","90","","102.56","0.01","90","","1166.7","0.2","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C14 H22 Cl6 Si2 Zr2 -","- C7 H11 Cl3 Si Zr -","- C28 H44 Cl12 Si4 Zr4 -","4","1","","Ciruelo, Gemma; Cuenca, Tomás; Gómez, Rafael; Gómez-Sal‡, Pilar; Martín ‡, Avelino","Mono- and di-cyclopentadienyl zirconium derivatives containing the dimethylsilylcyclopentadienyl ligand. Agostic linear Si‒H‒Zr interaction in the molecular structure of [Zr{η5-C5H4(SiMe2H)}Cl3]2 †","Journal of the Chemical Society, Dalton Transactions","2001","","10","1657","","10.1039/b010221k","","","0.71073","MoKα","","0.0482","0.0267","","","0.0618","0.0677","","","","","","1.055","","","","has coordinates","243895","2020-10-21","18:00:00","" "7702534","21.2818","0.0011","12.8206","0.0007","12.6462","0.0007","90","","90","","90","","3450.5","0.3","293","2","293","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C19 H40 Cl2 Cu3 N6 O17 -","- C19 H38 Cl2 Cu3 N6 O17 -","- C76 H152 Cl8 Cu12 N24 O68 -","4","1","","Gao, En-Qing; Zhao, Qi-Hua; Tang, Jin-Kui; Liao, Dai-Zheng; Jiang, Zong-Hui; Yan, Shi-Ping","A new one-dimensional coordination polymer and a new supramolecular dimer made of trinuclear copper(II) complexes: crystal structure and magnetic properties","Journal of the Chemical Society, Dalton Transactions","2001","","9","1537","","10.1039/b100142f","","","0.71073","MoKα","","0.0516","0.0403","","","0.0989","0.1069","","","","","","1.038","","","","has coordinates","243896","2020-10-21","18:00:00","" "7702535","20.2579","0.0013","17.141","0.0011","22.1609","0.0014","90","","102.613","0.001","90","","7509.5","0.8","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C44 H88 Cl4 Cu6 N12 O36 -","- C44 H72 Cl4 Cu6 N12 O36 -","- C176 H288 Cl16 Cu24 N48 O144 -","4","1","","Gao, En-Qing; Zhao, Qi-Hua; Tang, Jin-Kui; Liao, Dai-Zheng; Jiang, Zong-Hui; Yan, Shi-Ping","A new one-dimensional coordination polymer and a new supramolecular dimer made of trinuclear copper(II) complexes: crystal structure and magnetic properties","Journal of the Chemical Society, Dalton Transactions","2001","","9","1537","","10.1039/b100142f","","","0.71073","MoKα","","0.0828","0.0509","","","0.1321","0.156","","","","","","1.014","","","","has coordinates","243896","2020-10-21","18:00:00","" "7702536","8.597","0.002","24.346","0.002","9.197","0.002","90","","106.1","0.03","90","","1849.5","0.7","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Aquacadmium(II)-(-(3,4-toluenediamine-N,N,N',N'-tetraacetato)-cadmium(II)aqua","","- C15 H18 Cd2 N2 O10 -","- C15 H14 Cd2 N2 O10 -","- C60 H56 Cd8 N8 O40 -","4","1","","Sanchiz, Joaquín; Esparza, Pedro; Domínguez, Sixto; Mederos, Alfredo; Saysell, David; Sánchez, Agustin; Ruano, Rafael; Arrieta, Juan Manuel","Crystal structure of the 3-D complex [(H2O)Cd(μ-3,4-TDTA)Cd(H2O)]. Potentiometric and 113Cd NMR studies in aqueous solution (3,4-TDTA = 3,4-toluenediamine-N,N,N ′,N ′-tetraacetate)","Journal of the Chemical Society, Dalton Transactions","2001","","10","1559","","10.1039/b100152n","","","0.71073","MoKα","","0.0443","0.0426","","","0.1307","0.1332","","","","","","1.271","","","","has coordinates","243897","2020-10-21","18:00:00","" "7702537","25.256","0.002","11.738","0.001","27.138","0.002","90","","99.603","0.001","90","","7932.5","1.1","293","","293","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C37.5 H25 Cl O9 P2 Ru3 -","- C37.5 H25 Cl O9 P2 Ru3 -","- C300 H200 Cl8 O72 P16 Ru24 -","8","1","","Bruce, Michael I.; Skelton, Brian W.; White, Allan H.; Zaitseva, Natasha N.","Heterocyclic phosphorus ligands from cluster-bonded allenylidene","Journal of the Chemical Society, Dalton Transactions","2001","","4","355","","10.1039/b100661o","","","0.71073","MoKα","","0.059","0.033","","0.04","","0.035","","","1.032","","","1.106","","","","has coordinates","243899","2020-10-21","18:00:00","" "7702538","11.3115","0.0006","11.4716","0.0007","17.8808","0.001","74.853","0.001","88.528","0.001","63.32","0.001","1989.8","0.2","153","","153","","","","","","","","","8","P -1","-P 1","2","","","","- C37.5 H26 B Cl F4 O9 P2 Ru3 -","- C37.5 H26 B Cl F4 O9 P2 Ru3 -","- C75 H52 B2 Cl2 F8 O18 P4 Ru6 -","2","1","","Bruce, Michael I.; Skelton, Brian W.; White, Allan H.; Zaitseva, Natasha N.","Heterocyclic phosphorus ligands from cluster-bonded allenylidene","Journal of the Chemical Society, Dalton Transactions","2001","","4","355","","10.1039/b100661o","","","0.71073","MoKα","","0.032","0.027","","0.07","","0.034","","","2.476","","","1.281","","","","has coordinates","243899","2020-10-21","18:00:00","" "7702539","18.392","0.004","18.392","0.004","19.655","0.005","90","","90","","120","","5758","2","301","2","301","2","","","","","","","","4","P 63","P 6c","173","","","","- C37 H55 N3 Si3 -","- C37 H55 N3 Si3 -","- C222 H330 N18 Si18 -","6","1","","Renner, Patrick; Galka, Christian H.; Gade, Lutz H.; Radojevic, Sanja; McPartlin, Mary","Synthesis and structural characterization of a novel C3-chiral triamine and its trilithium triamide","Journal of the Chemical Society, Dalton Transactions","2001","","7","964","","10.1039/b100719j","","","0.71073","MoKα","","0.2069","0.0576","","","0.0809","0.1127","","","","","","0.884","","","","has coordinates,has disorder","243900","2020-10-21","18:00:00","" "7702540","11.323","0.002","16.714","0.006","19.535","0.003","90","","90","","90","","3697","1.6","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C37 H52 Li3 N3 Si3 -","- C37 H52 Li3 N3 Si3 -","- C148 H208 Li12 N12 Si12 -","4","1","","Renner, Patrick; Galka, Christian H.; Gade, Lutz H.; Radojevic, Sanja; McPartlin, Mary","Synthesis and structural characterization of a novel C3-chiral triamine and its trilithium triamide","Journal of the Chemical Society, Dalton Transactions","2001","","7","964","","10.1039/b100719j","","","0.71073","MoKα","","0.1112","0.0745","","","0.1817","0.2101","","","","","","1.098","","","","has coordinates,has disorder","243900","2020-10-21","18:00:00","" "7702541","8.9664","0.0001","11.3821","0.0002","38.6113","0.0001","90","","91.5246","0.0006","90","","3939.14","0.08","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C40 H46 Cl La N4 O10 -","- C40 H46 Cl La N4 O10 -","- C160 H184 Cl4 La4 N16 O40 -","4","1","","Platas, Carlos; Avecilla, Fernando; de Blas, Andrés; Rodríguez-Blas, Teresa; Bastida, Rufina; Macías, Alejandro; Rodríguez, Adolfo; Adams, H.","A Schiff-base bibracchial lariat ether selective receptor for lanthanide(III) ions","Journal of the Chemical Society, Dalton Transactions","2001","","11","1699","","10.1039/b100872m","","","0.71073","MoKα","","0.0612","0.0496","","","0.1184","0.1234","","","","","","1.237","","","","has coordinates,has disorder","243901","2020-10-21","18:00:00","" "7702542","19.3199","0.0013","10.7801","0.0007","21.0815","0.0014","90","","114.843","0.001","90","","3984.4","0.5","298","2","298","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C40 H46 Ce Cl N4 O10 -","- C40 H46 Ce Cl N4 O10 -","- C160 H184 Ce4 Cl4 N16 O40 -","4","1","","Platas, Carlos; Avecilla, Fernando; de Blas, Andrés; Rodríguez-Blas, Teresa; Bastida, Rufina; Macías, Alejandro; Rodríguez, Adolfo; Adams, H.","A Schiff-base bibracchial lariat ether selective receptor for lanthanide(III) ions","Journal of the Chemical Society, Dalton Transactions","2001","","11","1699","","10.1039/b100872m","","","0.71073","MoKα","","0.0984","0.0518","","","0.1192","0.1548","","","","","","0.905","","","","has coordinates","243901","2020-10-21","18:00:00","" "7702543","19.3099","0.0011","10.7631","0.0006","21.0674","0.0012","90","","114.91","0.001","90","","3971.2","0.4","298","2","298","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C40 H46 Cl N4 O10 Pr -","- C40 H46 Cl N4 O10 Pr -","- C160 H184 Cl4 N16 O40 Pr4 -","4","1","","Platas, Carlos; Avecilla, Fernando; de Blas, Andrés; Rodríguez-Blas, Teresa; Bastida, Rufina; Macías, Alejandro; Rodríguez, Adolfo; Adams, H.","A Schiff-base bibracchial lariat ether selective receptor for lanthanide(III) ions","Journal of the Chemical Society, Dalton Transactions","2001","","11","1699","","10.1039/b100872m","","","0.71073","MoKα","","0.0931","0.0559","","","0.141","0.185","","","","","","0.947","","","","has coordinates","243901","2020-10-21","18:00:00","" "7702544","14.927","0.007","12.871","0.006","15.254","0.006","90","","102.09","0.02","90","","2866","2","293","2","293","2","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C23 H27 B2 Eu N12 O2 -","- C23 H27 B2 Eu N12 O2 -","- C92 H108 B8 Eu4 N48 O8 -","4","1","","Lawrence, Royston G.; Hamor, Thomas A.; Jones, Christopher J.; Paxton, Keith; Rowley, Natalie M.","Structural studies of some mono- and bi-nuclear heteroleptic trispyrazolyborate complexes containing eight-co-oordinated europium and gadolinium†","Journal of the Chemical Society, Dalton Transactions","2001","","14","2121","","10.1039/b100896j","","","0.7107","MoKa","","0.0373","0.0275","","0.0612","0.0576","","","","1.069","1.074","1.074","","","","","has coordinates","243902","2020-10-21","18:00:00","" "7702545","16.994","0.005","11.179","0.004","18.466","0.007","90","","90.24","0.01","90","","3508","2","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C33 H31 B2 Eu N12 O2 -","- C33 H31 B2 Eu N12 O2 -","- C132 H124 B8 Eu4 N48 O8 -","4","0.5","","Lawrence, Royston G.; Hamor, Thomas A.; Jones, Christopher J.; Paxton, Keith; Rowley, Natalie M.","Structural studies of some mono- and bi-nuclear heteroleptic trispyrazolyborate complexes containing eight-co-oordinated europium and gadolinium†","Journal of the Chemical Society, Dalton Transactions","2001","","14","2121","","10.1039/b100896j","","","0.7107","MoKa","","0.0194","0.0185","","0.0463","0.0459","","","","1.081","1.086","1.086","","","","","has coordinates","243902","2020-10-21","18:00:00","" "7702546","14.164","0.004","19.502","0.005","22.227","0.005","90","","104.08","0.02","90","","5955","3","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C50 H50 B4 Eu2 N24 O4 -","- C50 H50 B4 Eu2 N24 O4 -","- C200 H200 B16 Eu8 N96 O16 -","4","1","","Lawrence, Royston G.; Hamor, Thomas A.; Jones, Christopher J.; Paxton, Keith; Rowley, Natalie M.","Structural studies of some mono- and bi-nuclear heteroleptic trispyrazolyborate complexes containing eight-co-oordinated europium and gadolinium†","Journal of the Chemical Society, Dalton Transactions","2001","","14","2121","","10.1039/b100896j","","","0.7107","MoKa","","0.0943","0.0483","","0.0735","0.0616","","","","0.969","0.968","0.968","","","","","has coordinates","243902","2020-10-21","18:00:00","" "7702547","12.659","0.005","17.638","0.008","11.937","0.006","105.47","0.01","102.25","0.02","75.64","0.02","2457.8","1.9","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C46 H40 B2 Eu2 N12 O8 -","- C46 H40 B2 Eu2 N12 O8 -","- C92 H80 B4 Eu4 N24 O16 -","2","1","","Lawrence, Royston G.; Hamor, Thomas A.; Jones, Christopher J.; Paxton, Keith; Rowley, Natalie M.","Structural studies of some mono- and bi-nuclear heteroleptic trispyrazolyborate complexes containing eight-co-oordinated europium and gadolinium†","Journal of the Chemical Society, Dalton Transactions","2001","","14","2121","","10.1039/b100896j","","","0.7107","MoKa","","0.0456","0.0409","","0.0887","0.0861","","","","1.209","1.212","1.212","","","","","has coordinates","243902","2020-10-21","18:00:00","" "7702548","11.676","0.002","16.091","0.004","18.162","0.004","90","","97.51","0.01","90","","3383","1.3","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C48 H52 B4 Cl8 Gd2 N24 O4 -","- C48 H52 B4 Cl8 Gd2 N24 O4 -","- C96 H104 B8 Cl16 Gd4 N48 O8 -","2","0.5","","Lawrence, Royston G.; Hamor, Thomas A.; Jones, Christopher J.; Paxton, Keith; Rowley, Natalie M.","Structural studies of some mono- and bi-nuclear heteroleptic trispyrazolyborate complexes containing eight-co-oordinated europium and gadolinium†","Journal of the Chemical Society, Dalton Transactions","2001","","14","2121","","10.1039/b100896j","","","0.7107","MoKa","","0.0909","0.0634","","0.1729","0.1549","","","","1.063","1.088","1.088","","","","","has coordinates","243902","2020-10-21","18:00:00","" "7702549","10.266","0.005","10.992","0.005","8.302","0.004","85.41","0.004","73.06","0.005","64.18","0.003","805.5","0.7","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C26 H32 N4 Ni O4 P2 S4 -","- C26 H32 N4 Ni O4 P2 S4 -","- C26 H32 N4 Ni O4 P2 S4 -","1","0.5","","Aragoni, M. Carla; Arca, Massimiliano; Demartin, Francesco; Devillanova, Francesco A.; Graiff, Claudia; Isaia, Francesco; Lippolis, Vito; Tiripicchio, Antonio; Verani, Gaetano","Reactivity of phosphonodithioato NiII complexes: solution equilibria, solid state studies and theoretical calculations on the adduct formation with some pyridine derivatives†","Journal of the Chemical Society, Dalton Transactions","2001","","18","2671","","10.1039/b100991p","","","1.54184","CuKα","","0.0578","0.0405","","","0.1079","0.1167","","","","","","0.926","","","","has coordinates","243903","2020-10-21","18:00:00","" "7702550","6.944","0.002","9.295","0.002","12.503","0.003","75.7","0.02","76.59","0.03","82.95","0.03","758.8","0.3","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C26 H30 N2 Ni O4 P2 S4 -","- C26 H30 N2 Ni O4 P2 S4 -","- C26 H30 N2 Ni O4 P2 S4 -","1","0.5","","Aragoni, M. Carla; Arca, Massimiliano; Demartin, Francesco; Devillanova, Francesco A.; Graiff, Claudia; Isaia, Francesco; Lippolis, Vito; Tiripicchio, Antonio; Verani, Gaetano","Reactivity of phosphonodithioato NiII complexes: solution equilibria, solid state studies and theoretical calculations on the adduct formation with some pyridine derivatives†","Journal of the Chemical Society, Dalton Transactions","2001","","18","2671","","10.1039/b100991p","","","0.71073","MoKα","","0.0726","0.036","","","0.0852","0.0943","","","","","","1.021","","","","has coordinates","243903","2020-10-21","18:00:00","" "7702551","8.5591","0.0014","11.8898","0.0012","18.4841","0.0016","104.286","0.009","97.586","0.012","104.489","0.011","1726.9","0.4","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C31 H34 B10 Mo N O3 P -","- C31 H34 B10 Mo N O3 P -","- C62 H68 B20 Mo2 N2 O6 P2 -","2","1","","Du, Shaowu; Franken, Andreas; Jelliss†, Paul A.; Kautz, Jason A.; Stone, F. Gordon A.; Yu, Pui-Yin","Monocarbollide complexes of molybdenum and tungsten: functionalization through reactions at a cage boron centre ‡","Journal of the Chemical Society, Dalton Transactions","2001","","12","1846","","10.1039/b101003o","","","0.71073","MoKα","","0.0567","0.0376","","","0.0797","0.0877","","","","","","1.038","","","","has coordinates","243904","2020-10-21","18:00:00","" "7702552","10.298","0.004","10.916","0.002","23.439","0.003","78.861","0.014","83.08","0.02","75.48","0.02","2495.4","1.1","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C48 H50 B10 O4 P2 W -","- C48 H50 B10 O4 P2 W -","- C96 H100 B20 O8 P4 W2 -","2","1","","Du, Shaowu; Franken, Andreas; Jelliss†, Paul A.; Kautz, Jason A.; Stone, F. Gordon A.; Yu, Pui-Yin","Monocarbollide complexes of molybdenum and tungsten: functionalization through reactions at a cage boron centre ‡","Journal of the Chemical Society, Dalton Transactions","2001","","12","1846","","10.1039/b101003o","","","0.71073","MoKα","","0.0406","0.0297","","","0.0656","0.0705","","","","","","1.055","","","","has coordinates","243904","2020-10-21","18:00:00","" "7702553","11.916","0.002","13.606","0.002","20.455","0.002","90","","92.272","0.01","90","","3313.7","0.8","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C27 H37 B10 O4 P W -","- C27 H37 B10 O4 P W -","- C108 H148 B40 O16 P4 W4 -","4","1","","Du, Shaowu; Franken, Andreas; Jelliss†, Paul A.; Kautz, Jason A.; Stone, F. Gordon A.; Yu, Pui-Yin","Monocarbollide complexes of molybdenum and tungsten: functionalization through reactions at a cage boron centre ‡","Journal of the Chemical Society, Dalton Transactions","2001","","12","1846","","10.1039/b101003o","","","0.71073","MoKα","","0.0766","0.0438","","","0.0799","0.0818","","","","","","1.052","","","","has coordinates","243904","2020-10-21","18:00:00","" "7702554","23.042","0.003","21.716","0.003","17.268","0.003","90","","129.571","0.014","90","","6660","2","293","2","293","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C27.5 H38 B10 N O3 P W -","- C29.5 H44 B10 N O3 P W -","- C236 H352 B80 N8 O24 P8 W8 -","8","1","","Du, Shaowu; Franken, Andreas; Jelliss†, Paul A.; Kautz, Jason A.; Stone, F. Gordon A.; Yu, Pui-Yin","Monocarbollide complexes of molybdenum and tungsten: functionalization through reactions at a cage boron centre ‡","Journal of the Chemical Society, Dalton Transactions","2001","","12","1846","","10.1039/b101003o","","","0.71073","MoKα","","0.0763","0.0393","","","0.0646","0.0724","","","","","","1.066","","","","has coordinates","243904","2020-10-21","18:00:00","" "7702555","9.679","0.002","18.962","0.004","18.669","0.004","90","","99.23","0.03","90","","3382","1.3","293","2","293","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C27 H34 B10 N O3 P W -","- C27 H34 B10 N O3 P W -","- C108 H136 B40 N4 O12 P4 W4 -","4","1","","Du, Shaowu; Franken, Andreas; Jelliss†, Paul A.; Kautz, Jason A.; Stone, F. Gordon A.; Yu, Pui-Yin","Monocarbollide complexes of molybdenum and tungsten: functionalization through reactions at a cage boron centre ‡","Journal of the Chemical Society, Dalton Transactions","2001","","12","1846","","10.1039/b101003o","","","0.71073","MoKα","","0.093","0.0435","","","0.0805","0.0964","","","","","","1.031","","","","has coordinates","243904","2020-10-21","18:00:00","" "7702556","24.219","0.005","9.127","0.002","13.515","0.002","90","","90","","90","","2987.4","1","299.2","","299.2","","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C20 H26 Cl4 Mn2 N10 O2 -","- C20 H26 Cl4 Mn2 N10 O2 -","- C80 H104 Cl16 Mn8 N40 O8 -","4","1","","Xu, Zhiqiang; Thompson, Laurence K.; Black, Daniel A.; Ralph, Corbin; Miller, David O.; Leech, Michael A.; Howard, Judith A. K.","N‒N Bridged dinuclear complexes with Mn(ii), Ni(ii), Cu(ii), Zn(ii) and Cd(ii); examples with antiferromagnetic and ferromagnetic coupling","Journal of the Chemical Society, Dalton Transactions","2001","","13","2042","","10.1039/b101445p","","","0.7107","MoKα","","0.054","0.034","","0.0295","","0.028","","","1.576","","","1.62","","","","has coordinates","243907","2020-10-21","18:00:00","" "7702557","19.277","0.005","21.233","0.005","12.479","0.003","90","","98.2","0.02","90","","5056","2","299.2","","299.2","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C30 H46.3 Cl4 N15 Ni2 O22.65 -","- C30 H42.15 Cl4 N15 Ni2 O22.65 -","- C120 H168.6 Cl16 N60 Ni8 O90.6 -","4","1","","Xu, Zhiqiang; Thompson, Laurence K.; Black, Daniel A.; Ralph, Corbin; Miller, David O.; Leech, Michael A.; Howard, Judith A. K.","N‒N Bridged dinuclear complexes with Mn(ii), Ni(ii), Cu(ii), Zn(ii) and Cd(ii); examples with antiferromagnetic and ferromagnetic coupling","Journal of the Chemical Society, Dalton Transactions","2001","","13","2042","","10.1039/b101445p","","","1.5418","CuKα","","0.1462","0.11","","0.113","","0.112","","","4.734","","","5.57","","","","has coordinates","243907","2020-10-21","18:00:00","" "7702558","17.6681","0.0011","13.3204","0.0008","22.0456","0.0013","90","","90.343","0.001","90","","5188.3","0.5","193","2","193","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C30 H41.5 Cl4 N24 Ni2 O21.75 -","- C30 H41.5 Cl4 N24 Ni2 O21.75 -","- C120 H166 Cl16 N96 Ni8 O87 -","4","1","","Xu, Zhiqiang; Thompson, Laurence K.; Black, Daniel A.; Ralph, Corbin; Miller, David O.; Leech, Michael A.; Howard, Judith A. K.","N‒N Bridged dinuclear complexes with Mn(ii), Ni(ii), Cu(ii), Zn(ii) and Cd(ii); examples with antiferromagnetic and ferromagnetic coupling","Journal of the Chemical Society, Dalton Transactions","2001","","13","2042","","10.1039/b101445p","","","0.71073","MoKα","","0.0535","0.0415","","","0.1138","0.1216","","","","","","1.027","","","","has coordinates","243907","2020-10-21","18:00:00","" "7702559","17.7623","0.0008","13.3002","0.0006","21.6942","0.001","90","","90.399","0.001","90","","5125","0.4","100","1","100","1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C30 H40 Cl4 Cu2 N24 O21 -","- C30 H40 Cl4 Cu2 N24 O21 -","- C120 H160 Cl16 Cu8 N96 O84 -","4","1","","Xu, Zhiqiang; Thompson, Laurence K.; Black, Daniel A.; Ralph, Corbin; Miller, David O.; Leech, Michael A.; Howard, Judith A. K.","N‒N Bridged dinuclear complexes with Mn(ii), Ni(ii), Cu(ii), Zn(ii) and Cd(ii); examples with antiferromagnetic and ferromagnetic coupling","Journal of the Chemical Society, Dalton Transactions","2001","","13","2042","","10.1039/b101445p","","","0.71073","MoKα","","0.0316","0.0277","","","0.0706","0.0733","","","","","","1.029","","","","has coordinates","243907","2020-10-21","18:00:00","" "7702560","16.088","0.002","16.95","0.004","11.104","0.003","108.37","0.02","101.84","0.02","90.75","0.02","2802.7","1.1","299.2","","299.2","","","","","","","","","6","P -1","-P 1","2","","","","- C36 H43 Br8 N18 O3.5 Zn4 -","- C36 H42.5 Br8 N18 O3.5 Zn4 -","- C72 H85 Br16 N36 O7 Zn8 -","2","1","","Xu, Zhiqiang; Thompson, Laurence K.; Black, Daniel A.; Ralph, Corbin; Miller, David O.; Leech, Michael A.; Howard, Judith A. K.","N‒N Bridged dinuclear complexes with Mn(ii), Ni(ii), Cu(ii), Zn(ii) and Cd(ii); examples with antiferromagnetic and ferromagnetic coupling","Journal of the Chemical Society, Dalton Transactions","2001","","13","2042","","10.1039/b101445p","","","0.7107","MoKα","","0.1825","0.048","","0.0588","","0.047","","","1.19","","","1.42","","","","has coordinates","243907","2020-10-21","18:00:00","" "7702561","23.87","0.003","13.418","0.008","14.721","0.005","90","","119.9","0.01","90","","4087","3","299.2","","299.2","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C24 H40 Cd2 N16 O19 -","- C24 H40 Cd2 N16 O19 -","- C96 H160 Cd8 N64 O76 -","4","0.5","","Xu, Zhiqiang; Thompson, Laurence K.; Black, Daniel A.; Ralph, Corbin; Miller, David O.; Leech, Michael A.; Howard, Judith A. K.","N‒N Bridged dinuclear complexes with Mn(ii), Ni(ii), Cu(ii), Zn(ii) and Cd(ii); examples with antiferromagnetic and ferromagnetic coupling","Journal of the Chemical Society, Dalton Transactions","2001","","13","2042","","10.1039/b101445p","","","0.7107","MoKα","","0.047","0.034","","0.04","","0.04","","","2.873","","","3.11","","","","has coordinates","243907","2020-10-21","18:00:00","" "7702562","14.7657","0.0011","20.3282","0.0015","15.9687","0.0014","90","","104.139","0.01","90","","4648","0.7","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C110 H80 F20 P4 Pt2 -","- C110 H80 F20 P4 Pt2 -","- C220 H160 F40 P8 Pt4 -","2","0.5","","Falvello, Larry R.; Forniés, Juan; Gómez, Julio; Lalinde, Elena; Martín, Antonio; Martínez, Francisco; Moreno, M. Teresa","Some platinum(II) complexes containing bis(diphenylphosphino)acetylene PPh2CCPPh2: synthesis, characterisation and crystal structures†","Journal of the Chemical Society, Dalton Transactions","2001","","14","2132","","10.1039/b101558n","","","0.71073","MoKα","","0.1478","0.0614","","0.1587","0.1239","","","","1.038","1.072","1.072","","","","","has coordinates","243908","2020-10-21","18:00:00","" "7702563","17.323","0.003","20.918","0.004","19.549","0.004","90","","101.74","0.03","90","","6936","2","200","2","200","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C76 H40 F20 P4 Pt2 -","- C76 F20 P4 Pt2 -","- C304 F80 P16 Pt8 -","4","1","","Falvello, Larry R.; Forniés, Juan; Gómez, Julio; Lalinde, Elena; Martín, Antonio; Martínez, Francisco; Moreno, M. Teresa","Some platinum(II) complexes containing bis(diphenylphosphino)acetylene PPh2CCPPh2: synthesis, characterisation and crystal structures†","Journal of the Chemical Society, Dalton Transactions","2001","","14","2132","","10.1039/b101558n","","","0.71073","MoKα","","0.1059","0.0537","","0.1629","0.1175","","","","1.027","1.096","1.096","","","","","has coordinates","243908","2020-10-21","18:00:00","" "7702564","25.7491","0.0008","7.9562","0.0003","19.5543","0.0006","90","","125.809","0.0016","90","","3248.7","0.2","203","","203","","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C72 H54 I3 Nb O2 -","- C72 H54 I3 Nb O2 -","- C144 H108 I6 Nb2 O4 -","2","0.5","","Schweiger, Scott W.; Salberg, Michelle M.; Pulvirenti, April L.; Freeman, Emily E.; Fanwick, Phillip E.; Rothwell, Ian P.","Studies of the alkylation of niobium and tantalum halides containing 2,6-diarylphenoxide ancillary ligation","Journal of the Chemical Society, Dalton Transactions","2001","","13","2020","","10.1039/b101722p","","","0.71073","MO-Kα","","","0.051","","","","0.139","","","","","","1.092","","","","has coordinates","243909","2020-10-21","18:00:00","" "7702565","12.5985","0.0007","13.873","0.0008","17.8161","0.0006","87.288","0.003","73.317","0.003","76.722","0.002","2902.5","0.3","193","","193","","","","","","","","","5","P -1","-P 1","2","","","","- C72 H54 Br3 O2 Ta -","- C72 H54 Br3 O2 Ta -","- C144 H108 Br6 O4 Ta2 -","2","1","","Schweiger, Scott W.; Salberg, Michelle M.; Pulvirenti, April L.; Freeman, Emily E.; Fanwick, Phillip E.; Rothwell, Ian P.","Studies of the alkylation of niobium and tantalum halides containing 2,6-diarylphenoxide ancillary ligation","Journal of the Chemical Society, Dalton Transactions","2001","","13","2020","","10.1039/b101722p","","","0.71073","MO-Kα","","","0.043","","","","0.098","","","","","","1.009","","","","has coordinates","243909","2020-10-21","18:00:00","" "7702566","10.6577","0.0004","14.7497","0.0005","19.165","0.0007","96.494","0.002","93.782","0.002","106.265","0.002","2858.47","0.18","173","","173","","","","","","","","","5","P -1","-P 1","2","","","","- C73 H55 Cl2 O2 Ta -","- C73 H55 Cl2 O2 Ta -","- C146 H110 Cl4 O4 Ta2 -","2","1","","Schweiger, Scott W.; Salberg, Michelle M.; Pulvirenti, April L.; Freeman, Emily E.; Fanwick, Phillip E.; Rothwell, Ian P.","Studies of the alkylation of niobium and tantalum halides containing 2,6-diarylphenoxide ancillary ligation","Journal of the Chemical Society, Dalton Transactions","2001","","13","2020","","10.1039/b101722p","","","0.71073","MO-Kα","","","0.045","","","","0.113","","","","","","1.029","","","","has coordinates","243909","2020-10-21","18:00:00","" "7702567","15.3362","0.0003","12.7656","0.0002","18.5286","0.0003","90","","95.3177","0.0011","90","","3611.84","0.11","150","","150","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C40 H37 Cl2 O2 Si Ta -","- C40 H37 Cl2 O2 Si Ta -","- C160 H148 Cl8 O8 Si4 Ta4 -","4","1","","Schweiger, Scott W.; Salberg, Michelle M.; Pulvirenti, April L.; Freeman, Emily E.; Fanwick, Phillip E.; Rothwell, Ian P.","Studies of the alkylation of niobium and tantalum halides containing 2,6-diarylphenoxide ancillary ligation","Journal of the Chemical Society, Dalton Transactions","2001","","13","2020","","10.1039/b101722p","","","0.71073","MO-Kα","","","0.031","","","","0.073","","","","","","1.047","","","","has coordinates","243909","2020-10-21","18:00:00","" "7702568","9.9783","0.0004","12.5003","0.0006","22.6124","0.0013","97.143","0.003","91.442","0.003","108.89","0.003","2641.4","0.2","193","","193","","","","","","","","","6","P -1","-P 1","2","","","","- C64 H53 Cl2 Nb O2 Si -","- C64 H53 Cl2 Nb O2 Si -","- C128 H106 Cl4 Nb2 O4 Si2 -","2","1","","Schweiger, Scott W.; Salberg, Michelle M.; Pulvirenti, April L.; Freeman, Emily E.; Fanwick, Phillip E.; Rothwell, Ian P.","Studies of the alkylation of niobium and tantalum halides containing 2,6-diarylphenoxide ancillary ligation","Journal of the Chemical Society, Dalton Transactions","2001","","13","2020","","10.1039/b101722p","","","0.71073","MO-Kα","","","0.066","","","","0.116","","","","","","1.02","","","","has coordinates","243909","2020-10-21","18:00:00","" "7702569","9.9773","0.0006","11.4412","0.0006","16.3041","0.0009","101.983","0.003","94.502","0.003","110.754","0.003","1678.77","0.17","193","","193","","","","","","","","","5","P -1","-P 1","2","","","","- C41 H35 Cl2 O2 Ta -","- C41 H35 Cl2 O2 Ta -","- C82 H70 Cl4 O4 Ta2 -","2","1","","Schweiger, Scott W.; Salberg, Michelle M.; Pulvirenti, April L.; Freeman, Emily E.; Fanwick, Phillip E.; Rothwell, Ian P.","Studies of the alkylation of niobium and tantalum halides containing 2,6-diarylphenoxide ancillary ligation","Journal of the Chemical Society, Dalton Transactions","2001","","13","2020","","10.1039/b101722p","","","0.71073","MO-Kα","","","0.043","","","","0.097","","","","","","1.059","","","","has coordinates","243909","2020-10-21","18:00:00","" "7702570","11.1243","0.0005","12.513","0.0006","14.9163","0.0005","99.192","0.003","104.62","0.003","114.392","0.002","1745.74","0.14","193","","193","","","","","","","","","5","P -1","-P 1","2","","","","- C42 H37 Cl2 O2 Ta -","- C42 H37 Cl2 O2 Ta -","- C84 H74 Cl4 O4 Ta2 -","2","1","","Schweiger, Scott W.; Salberg, Michelle M.; Pulvirenti, April L.; Freeman, Emily E.; Fanwick, Phillip E.; Rothwell, Ian P.","Studies of the alkylation of niobium and tantalum halides containing 2,6-diarylphenoxide ancillary ligation","Journal of the Chemical Society, Dalton Transactions","2001","","13","2020","","10.1039/b101722p","","","0.71073","MO-Kα","","","0.034","","","","0.081","","","","","","1.084","","","","has coordinates","243909","2020-10-21","18:00:00","" "7702571","10.0085","0.0002","10.8522","0.0002","11.2929","0.0002","63.9019","0.0008","87.6411","0.0007","68.9612","0.0008","1018.06","0.03","150","","150","","","","","","","","","6","P 1","P 1","1","","","","- C44 H48 Cl O2 Si2 Ta -","- C44 H48 Cl O2 Si2 Ta -","- C44 H48 Cl O2 Si2 Ta -","1","1","","Schweiger, Scott W.; Salberg, Michelle M.; Pulvirenti, April L.; Freeman, Emily E.; Fanwick, Phillip E.; Rothwell, Ian P.","Studies of the alkylation of niobium and tantalum halides containing 2,6-diarylphenoxide ancillary ligation","Journal of the Chemical Society, Dalton Transactions","2001","","13","2020","","10.1039/b101722p","","","0.71073","MO-Kα","","","0.042","","","","0.108","","","","","","1.022","","","","has coordinates","243909","2020-10-21","18:00:00","" "7702572","13.3332","0.0004","15.3768","0.0005","19.2026","0.0005","109.476","0.0015","97.3407","0.0017","102.668","0.0013","3533.92","0.19","203","","203","","","","","","","","","5","P -1","-P 1","2","","","","- C92 H74 Cl Nb O2 -","- C92 H74 Cl Nb O2 -","- C184 H148 Cl2 Nb2 O4 -","2","1","","Schweiger, Scott W.; Salberg, Michelle M.; Pulvirenti, April L.; Freeman, Emily E.; Fanwick, Phillip E.; Rothwell, Ian P.","Studies of the alkylation of niobium and tantalum halides containing 2,6-diarylphenoxide ancillary ligation","Journal of the Chemical Society, Dalton Transactions","2001","","13","2020","","10.1039/b101722p","","","0.71073","MO-Kα","","","0.059","","","","0.131","","","","","","1.043","","","","has coordinates","243909","2020-10-21","18:00:00","" "7702573","13.3027","0.0008","15.3219","0.0009","19.1817","0.001","109.364","0.003","97.258","0.004","102.355","0.003","3519.6","0.4","173","","173","","","","","","","","","5","P -1","-P 1","2","","","","- C92 H74 Cl O2 Ta -","- C92 H74 Cl O2 Ta -","- C184 H148 Cl2 O4 Ta2 -","2","1","","Schweiger, Scott W.; Salberg, Michelle M.; Pulvirenti, April L.; Freeman, Emily E.; Fanwick, Phillip E.; Rothwell, Ian P.","Studies of the alkylation of niobium and tantalum halides containing 2,6-diarylphenoxide ancillary ligation","Journal of the Chemical Society, Dalton Transactions","2001","","13","2020","","10.1039/b101722p","","","0.71073","MO-Kα","","","0.057","","","","0.108","","","","","","1.02","","","","has coordinates","243909","2020-10-21","18:00:00","" "7702574","12.762","0.0003","18.0027","0.0004","28.8284","0.0007","90","","95.5229","0.0014","90","","6592.6","0.3","203","","203","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C75 H78 Nb O2 Si3 -","- C75 H78 Nb O2 Si3 -","- C300 H312 Nb4 O8 Si12 -","4","1","","Schweiger, Scott W.; Salberg, Michelle M.; Pulvirenti, April L.; Freeman, Emily E.; Fanwick, Phillip E.; Rothwell, Ian P.","Studies of the alkylation of niobium and tantalum halides containing 2,6-diarylphenoxide ancillary ligation","Journal of the Chemical Society, Dalton Transactions","2001","","13","2020","","10.1039/b101722p","","","0.71073","MO-Kα","","","0.049","","","","0.11","","","","","","1.033","","","","has coordinates","243909","2020-10-21","18:00:00","" "7702575","23.6191","0.0005","10.9492","0.0002","27.745","0.0006","90","","114.968","0.0008","90","","6504.6","0.2","163","","163","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C77 H77 Nb O2 Si2 -","- C77 H77 Nb O2 Si2 -","- C308 H308 Nb4 O8 Si8 -","4","1","","Schweiger, Scott W.; Salberg, Michelle M.; Pulvirenti, April L.; Freeman, Emily E.; Fanwick, Phillip E.; Rothwell, Ian P.","Studies of the alkylation of niobium and tantalum halides containing 2,6-diarylphenoxide ancillary ligation","Journal of the Chemical Society, Dalton Transactions","2001","","13","2020","","10.1039/b101722p","","","0.71073","MO-Kα","","","0.048","","","","0.121","","","","","","1.07","","","","has coordinates","243909","2020-10-21","18:00:00","" "7702576","11.4726","0.0017","11.9803","0.0019","12.491","0.003","106.078","0.016","97.68","0.016","111.58","0.013","1479.8","0.6","203","","203","","","","","","","","","5","P -1","-P 1","2","","","","- C66 H86 Nb O2 P2 -","- C70 H98 Nb O2 P2 -","- C70 H98 Nb O2 P2 -","1","0.5","","Schweiger, Scott W.; Salberg, Michelle M.; Pulvirenti, April L.; Freeman, Emily E.; Fanwick, Phillip E.; Rothwell, Ian P.","Studies of the alkylation of niobium and tantalum halides containing 2,6-diarylphenoxide ancillary ligation","Journal of the Chemical Society, Dalton Transactions","2001","","13","2020","","10.1039/b101722p","","","0.71073","Mo-Kα","","","0.043","","","","0.117","","","","","","1.13","","","","has coordinates","243909","2020-10-21","18:00:00","" "7702577","11.3325","0.0002","21.2903","0.0003","23.934","0.0004","90","","96.2926","0.0009","90","","5739.82","0.16","203","","203","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C70 H56 Cl3 Nb O2 -","- C70 H56 Cl3 Nb O2 -","- C280 H224 Cl12 Nb4 O8 -","4","1","","Schweiger, Scott W.; Salberg, Michelle M.; Pulvirenti, April L.; Freeman, Emily E.; Fanwick, Phillip E.; Rothwell, Ian P.","Studies of the alkylation of niobium and tantalum halides containing 2,6-diarylphenoxide ancillary ligation","Journal of the Chemical Society, Dalton Transactions","2001","","13","2020","","10.1039/b101722p","","","0.71073","MO-Kα","","","0.049","","","","0.119","","","","","","1.042","","","","has coordinates","243909","2020-10-21","18:00:00","" "7702578","8.6567","0.0003","17.9638","0.0007","10.2052","0.0003","90","","107.121","0.002","90","","1516.66","0.09","173","","173","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C6 H20 Cl4 N3 Ta -","- C6 H20 Cl4 N3 Ta -","- C24 H80 Cl16 N12 Ta4 -","4","1","","Schweiger, Scott W.; Tillison, Dana L.; Thorn, Matt G.; Fanwick, Phillip E.; Rothwell, Ian P.","The isolation and chemistry of niobium and tantalum dimethylamides containing mono- and di-aryloxide ancillary ligands","Journal of the Chemical Society, Dalton Transactions","2001","","16","2401","","10.1039/b101723n","","","0.71073","MO-Kα","","","0.041","","","","0.107","","","","","","1.039","","","","has coordinates","243910","2020-10-21","18:00:00","" "7702579","11.931","0.0006","14.305","0.0004","14.3949","0.0007","90","","90","","90","","2456.82","0.19","173","","173","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C14 H22 Cl6 N4 O Ta2 -","- C14 H22 Cl6 N4 O Ta2 -","- C56 H88 Cl24 N16 O4 Ta8 -","4","1","","Schweiger, Scott W.; Tillison, Dana L.; Thorn, Matt G.; Fanwick, Phillip E.; Rothwell, Ian P.","The isolation and chemistry of niobium and tantalum dimethylamides containing mono- and di-aryloxide ancillary ligands","Journal of the Chemical Society, Dalton Transactions","2001","","16","2401","","10.1039/b101723n","","","0.71073","MO-Kα","","","0.045","","","","0.107","","","","","","1.055","","","","has coordinates","243910","2020-10-21","18:00:00","" "7702580","19.1788","0.0007","7.2144","0.0004","14.3129","0.0006","90","","104.191","0.003","90","","1919.95","0.15","173","","173","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H21 Cl3 N3 Ta -","- C15 H21 Cl3 N3 Ta -","- C60 H84 Cl12 N12 Ta4 -","4","1","","Schweiger, Scott W.; Tillison, Dana L.; Thorn, Matt G.; Fanwick, Phillip E.; Rothwell, Ian P.","The isolation and chemistry of niobium and tantalum dimethylamides containing mono- and di-aryloxide ancillary ligands","Journal of the Chemical Society, Dalton Transactions","2001","","16","2401","","10.1039/b101723n","","","0.71073","MO-Kα","","","0.037","","","","0.085","","","","","","1.054","","","","has coordinates","243910","2020-10-21","18:00:00","" "7702581","30.4539","0.0002","22.0854","0.0004","11.4593","0.0009","90","","90","","90","","7707.4","0.6","150","","150","","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C97 H83 Cl2 N2 Nb O2 -","- C97 H83 Cl2 N2 Nb O2 -","- C388 H332 Cl8 N8 Nb4 O8 -","4","1","","Schweiger, Scott W.; Tillison, Dana L.; Thorn, Matt G.; Fanwick, Phillip E.; Rothwell, Ian P.","The isolation and chemistry of niobium and tantalum dimethylamides containing mono- and di-aryloxide ancillary ligands","Journal of the Chemical Society, Dalton Transactions","2001","","16","2401","","10.1039/b101723n","","","0.71073","MO-Kα","","","0.058","","","","0.095","","","","","","1.008","","","","has coordinates","243910","2020-10-21","18:00:00","" "7702582","30.4709","0.0001","22.0751","0.0002","11.4756","0.0004","90","","90","","90","","7719","0.3","150","","150","","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C97 H83 Cl2 N2 O2 Ta -","- C97 H83 Cl2 N2 O2 Ta -","- C388 H332 Cl8 N8 O8 Ta4 -","4","1","","Schweiger, Scott W.; Tillison, Dana L.; Thorn, Matt G.; Fanwick, Phillip E.; Rothwell, Ian P.","The isolation and chemistry of niobium and tantalum dimethylamides containing mono- and di-aryloxide ancillary ligands","Journal of the Chemical Society, Dalton Transactions","2001","","16","2401","","10.1039/b101723n","","","0.71073","MO-Kα","","","0.046","","","","0.085","","","","","","0.975","","","","has coordinates","243910","2020-10-21","18:00:00","" "7702583","10.0975","0.0002","11.14","0.0002","15.5664","0.0003","80.5543","0.0008","84.6022","0.0008","67.3869","0.0007","1593.55","0.05","150","","150","","","","","","","","","6","P -1","-P 1","2","","","","- C35 H37 Cl2 N2 O2 Ta -","- C35 H38 Cl2 N3 O2 Ta -","- C70 H76 Cl4 N6 O4 Ta2 -","2","1","","Schweiger, Scott W.; Tillison, Dana L.; Thorn, Matt G.; Fanwick, Phillip E.; Rothwell, Ian P.","The isolation and chemistry of niobium and tantalum dimethylamides containing mono- and di-aryloxide ancillary ligands","Journal of the Chemical Society, Dalton Transactions","2001","","16","2401","","10.1039/b101723n","","","0.71073","MO-Kα","","","0.027","","","","0.058","","","","","","1.062","","","","has coordinates","243910","2020-10-21","18:00:00","" "7702584","31.9871","0.0006","10.3174","0.0002","19.321","0.0003","90","","120.872","0.001","90","","5472.95","0.18","153","2","153","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","(μ~2~-η^5^-dimethylaminomethylcyclopentadienyl)-(η^5^-cyclopentadienyl)-iron- (trimethylsilylethynyl-dimethylsulfoxide-platinum(II)) benzene solvate","","- C26 H37 Fe N O Pt S Si -","- C26 H37 Fe N O Pt S Si -","- C208 H296 Fe8 N8 O8 Pt8 S8 Si8 -","8","1","","McAdam, C. John; Blackie, Evan J.; Morgan, Joy L.; Mole, Sarah A.; Robinson, Brian H.; Simpson, Jim","Acetylides of cycloplatinated ferrocenylamines; synthesis and redox chemistry†","Journal of the Chemical Society, Dalton Transactions","2001","","16","2362","","10.1039/b101776o","","","0.71073","MoKα","","0.067","0.0454","","","0.1046","0.1117","","","","","","0.994","","","","has coordinates","243911","2020-10-21","18:00:00","" "7702585","29.924","0.01","10.132","0.003","19.366","0.006","90","","112.81","0.007","90","","5412","3","168","2","168","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","(μ~2~-η^5^-dimethylaminomethylcyclopentadienyl)-(η^5^-cyclopentadienyl)-iron- (ferrocenylethynyl-dimethylsulfoxide-platinum(II)) 2(1/2 water solvate)","","- C27 H33 Fe2 N O2 Pt S -","- C27 H31 Fe2 N O2 Pt S -","- C216 H248 Fe16 N8 O16 Pt8 S8 -","8","1","","McAdam, C. John; Blackie, Evan J.; Morgan, Joy L.; Mole, Sarah A.; Robinson, Brian H.; Simpson, Jim","Acetylides of cycloplatinated ferrocenylamines; synthesis and redox chemistry†","Journal of the Chemical Society, Dalton Transactions","2001","","16","2362","","10.1039/b101776o","","","0.71073","MoKα","","0.0433","0.0335","","","0.0848","0.0927","","","","","","1.014","","","","has coordinates","243911","2020-10-21","18:00:00","" "7702586","12.743","0.004","14.115","0.005","14.295","0.005","77.92","0.04","68.16","0.03","67.43","0.04","2197.2","1.5","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C49 H62 B Cu Fe N3 O2 -","- C49 H62 B Cu Fe N3 O2 -","- C98 H124 B2 Cu2 Fe2 N6 O4 -","2","1","","Costa, Ramon; López, Concepción; Molins, Elies; Espinosa, Enric; Pérez, José","Heterodimetallic copper(ii) compounds containing ferrocenecarboxylato(‒1) and triamines as ligands","Journal of the Chemical Society, Dalton Transactions","2001","","19","2833","","10.1039/b102030g","","","0.71069","MoKα","","0.2771","0.1083","","","0.2806","0.3478","","","","","","0.981","","","","has coordinates","243912","2020-10-21","18:00:00","" "7702587","11.271","0.002","15.369","0.001","15.852","0.007","90","","110.63","0.02","90","","2569.9","1.3","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C20 H34 Cl Cu Fe N3 O7 -","- C20 H34 Cl Cu Fe N3 O7 -","- C80 H136 Cl4 Cu4 Fe4 N12 O28 -","4","1","","Costa, Ramon; López, Concepción; Molins, Elies; Espinosa, Enric; Pérez, José","Heterodimetallic copper(ii) compounds containing ferrocenecarboxylato(‒1) and triamines as ligands","Journal of the Chemical Society, Dalton Transactions","2001","","19","2833","","10.1039/b102030g","","","0.71069","MoKα","","0.2028","0.0572","","","0.1496","0.1764","","","","","","0.924","","","","has coordinates","243912","2020-10-21","18:00:00","" "7702588","13.402","0.005","9.595","0.005","17.249","0.005","90","","92.423","0.005","90","","2216.1","1.6","150","2","150","2","","","","","","","synthesis as described","4","P 1 21/n 1","-P 2yn","14","","","","- C28 H26 N P -","- C28 H26 N P -","- C112 H104 N4 P4 -","4","1","","Coleman, Karl S.; Green, Malcolm L. H.; Pascu, Sofia I.; Rees, Nicholas H.; Cowley, A. R.; Rees, Leigh H.","Palladium(ii) complexes with the bidentate iminophosphine ligand [Ph2PCH2C(Ph)N(2,6-Me2C6H3)]","Journal of the Chemical Society, Dalton Transactions","2001","","22","3384","","10.1039/b102476k","","","0.71073","mokα","","0.0521","0.0476","","0.1186","0.1049","","","","1.189","1.212","1.212","","","","","has coordinates","243915","2020-10-21","18:00:00","" "7702589","11.182","0.001","22.663","0.001","11.314","0.001","90","","117.47","0.02","90","","2543.9","0.6","150","2","150","2","","","","","","","synthesis as described","6","P 1 21/n 1","-P 2yn","14","","","","- C28 H26 Cl2 N P Pd -","- C28 H26 Cl2 N P Pd -","- C112 H104 Cl8 N4 P4 Pd4 -","4","1","","Coleman, Karl S.; Green, Malcolm L. H.; Pascu, Sofia I.; Rees, Nicholas H.; Cowley, A. R.; Rees, Leigh H.","Palladium(ii) complexes with the bidentate iminophosphine ligand [Ph2PCH2C(Ph)N(2,6-Me2C6H3)]","Journal of the Chemical Society, Dalton Transactions","2001","","22","3384","","10.1039/b102476k","","","0.71073","MoKα","","0.0572","0.0563","","0.1133","0.0915","","","","1.675","1.675","1.675","","","","","has coordinates","243915","2020-10-21","18:00:00","" "7702590","9.037","0.002","13.944","0.003","20.419","0.004","90","","97.06","0.03","90","","2553.5","0.9","293","2","293","2","","","","","","","synthesis as described","6","P 1 21/n 1","-P 2yn","14","","","","- C28 H26 Br2 N P Pd -","- C28 H26 Br2 N P Pd -","- C112 H104 Br8 N4 P4 Pd4 -","4","1","","Coleman, Karl S.; Green, Malcolm L. H.; Pascu, Sofia I.; Rees, Nicholas H.; Cowley, A. R.; Rees, Leigh H.","Palladium(ii) complexes with the bidentate iminophosphine ligand [Ph2PCH2C(Ph)N(2,6-Me2C6H3)]","Journal of the Chemical Society, Dalton Transactions","2001","","22","3384","","10.1039/b102476k","","","0.71073","MoKα","","0.0299","0.0246","","0.0659","0.0642","","","","1.006","1.053","1.053","","","","","has coordinates","243915","2020-10-21","18:00:00","" "7702591","20.307","0.006","10.905","0.005","15.256","0.007","90","","130.49","0.02","90","","2569","2","150","","150","","","","","","","","?","6","C 1 c 1","C -2yc","9","","","","- C29 H29 Cl N P Pd -","- C29 H29 Cl N P Pd -","- C116 H116 Cl4 N4 P4 Pd4 -","4","1","","Coleman, Karl S.; Green, Malcolm L. H.; Pascu, Sofia I.; Rees, Nicholas H.; Cowley, A. R.; Rees, Leigh H.","Palladium(ii) complexes with the bidentate iminophosphine ligand [Ph2PCH2C(Ph)N(2,6-Me2C6H3)]","Journal of the Chemical Society, Dalton Transactions","2001","","22","3384","","10.1039/b102476k","","","0.71073","MoKα","","","0.0308","","","","0.0161","","","","","","0.9959","","","","has coordinates","243915","2020-10-21","18:00:00","" "7702592","7.859","0.0007","9.2","0.0013","18.778","0.003","89.044","0.006","84.199","0.008","70.296","0.007","1271.4","0.3","150","","150","","","","","","","","?","5","P -1","-P 1","2","","","","- C30 H32 N P Pd -","- C30 H26 N P Pd -","- C60 H52 N2 P2 Pd2 -","2","1","","Coleman, Karl S.; Green, Malcolm L. H.; Pascu, Sofia I.; Rees, Nicholas H.; Cowley, A. R.; Rees, Leigh H.","Palladium(ii) complexes with the bidentate iminophosphine ligand [Ph2PCH2C(Ph)N(2,6-Me2C6H3)]","Journal of the Chemical Society, Dalton Transactions","2001","","22","3384","","10.1039/b102476k","","","0.71069","MoKα","","","0.0868","","","","0.0704","","","","","","1.1147","","","","has coordinates","243915","2020-10-21","18:00:00","" "7702593","28.0025","0.0004","11.6282","0.0002","19.8002","0.0004","90","","121.23","0.0006","90","","5513.05","0.17","150","","150","","","","","","","","?","7","C 1 2/c 1","-C 2yc","15","","","","- C29 H27 Br Cl2 N P Pd -","- C29 H27 Br Cl2 N P Pd -","- C232 H216 Br8 Cl16 N8 P8 Pd8 -","8","1","","Coleman, Karl S.; Green, Malcolm L. H.; Pascu, Sofia I.; Rees, Nicholas H.; Cowley, A. R.; Rees, Leigh H.","Palladium(ii) complexes with the bidentate iminophosphine ligand [Ph2PCH2C(Ph)N(2,6-Me2C6H3)]","Journal of the Chemical Society, Dalton Transactions","2001","","22","3384","","10.1039/b102476k","","","0.71073","MoKα","","","0.0354","","","","0.0415","","","","","","1.0485","","","","has coordinates","243915","2020-10-21","18:00:00","" "7702594","11.032","0.0009","12.103","0.0007","17.453","0.0014","99.511","0.005","106.438","0.004","90.095","0.005","2201.5","0.3","190","","190","","","","","","","","?","5","P -1","-P 1","2","","","","- C54 H51 N P2 Pd -","- C54 H51 N P2 Pd -","- C108 H102 N2 P4 Pd2 -","2","1","","Coleman, Karl S.; Green, Malcolm L. H.; Pascu, Sofia I.; Rees, Nicholas H.; Cowley, A. R.; Rees, Leigh H.","Palladium(ii) complexes with the bidentate iminophosphine ligand [Ph2PCH2C(Ph)N(2,6-Me2C6H3)]","Journal of the Chemical Society, Dalton Transactions","2001","","22","3384","","10.1039/b102476k","","","0.71069","MoKα","","","0.0564","","","","0.0264","","","","","","1.1317","","","","has coordinates","243915","2020-10-21","18:00:00","" "7702595","16.677","0.003","20.114","0.004","18.724","0.004","90","","90","","90","","6281","2","293","2","293","2","","","","","","","","5","A e a 2","A 2 -2ab","41","","","","- C52 H78 N16 O22 Y2 -","- C52 H60 N16 O22 Y2 -","- C208 H240 N64 O88 Y8 -","4","0.5","","Bligh, S. W. Annie; Choi, Nick; Evagorou, Evagoras G.; McPartlin, Mary; White, Kenneth N.","Dimeric yttrium(iii) and neodymium(iii) macrocyclic complexes: potential catalysts for hydrolysis of double-stranded DNA","Journal of the Chemical Society, Dalton Transactions","2001","","21","3169","","10.1039/b102533n","","","0.71069","MoKα","","0.0794","0.0693","","","0.1658","0.1754","","","","","","1.093","","","","has coordinates,has disorder","243916","2020-10-21","18:00:00","" "7702596","7.7373","0.001","14.014","0.002","9.1101","0.0012","90","","110.472","0.002","90","","925.4","0.2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H20 Cu2 N4 O8 -","- C14 H20 Cu2 N4 O8 -","- C28 H40 Cu4 N8 O16 -","2","0.5","","Zhang, Hua-Xin; Kang, Bei-Sheng; Xu, An-Wu; Chen, Zhong-Ning; Zhou, Zhong-Yuan; Chan, Albert S. C.; Yu, Kai-Bei; Ren, Chen","Supramolecular architectures from the self-assembly of trans-oxamidato-bridged dicopper(II) building blocks and phenyldicarboxylates","Journal of the Chemical Society, Dalton Transactions","2001","","18","2559","","10.1039/b102570h","","","0.71073","MoKα","","0.0366","0.0321","","0.0968","0.0917","","","","1.077","1.132","1.132","","","","","has coordinates","243917","2020-10-21","18:00:00","" "7702597","9.38","0.001","20.613","0.002","12.093","0.001","90","","104.27","0.01","90","","2266","0.4","290","2","290","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C32 H58 Cu4 N8 O21 -","- C32 H40 Cu4 N8 O21 -","- C64 H80 Cu8 N16 O42 -","2","1","","Zhang, Hua-Xin; Kang, Bei-Sheng; Xu, An-Wu; Chen, Zhong-Ning; Zhou, Zhong-Yuan; Chan, Albert S. C.; Yu, Kai-Bei; Ren, Chen","Supramolecular architectures from the self-assembly of trans-oxamidato-bridged dicopper(II) building blocks and phenyldicarboxylates","Journal of the Chemical Society, Dalton Transactions","2001","","18","2559","","10.1039/b102570h","","","0.71073","MoKα","","0.05","0.0352","","0.0881","0.0841","","","","0.935","1.037","1.037","","","","","has coordinates","243917","2020-10-21","18:00:00","" "7702598","15.951","0.002","7.8879","0.0008","14.826","0.0015","90","","90","","90","","1865.4","0.4","293","2","293","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C14 H20 Cu2 N4 O8 -","- C14 H18 Cu2 N4 O8 -","- C56 H72 Cu8 N16 O32 -","4","1","","Zhang, Hua-Xin; Kang, Bei-Sheng; Xu, An-Wu; Chen, Zhong-Ning; Zhou, Zhong-Yuan; Chan, Albert S. C.; Yu, Kai-Bei; Ren, Chen","Supramolecular architectures from the self-assembly of trans-oxamidato-bridged dicopper(II) building blocks and phenyldicarboxylates","Journal of the Chemical Society, Dalton Transactions","2001","","18","2559","","10.1039/b102570h","","","0.71073","MoKα","","0.0472","0.0361","","0.0843","0.0782","","","","0.944","1.002","1.002","","","","","has coordinates","243917","2020-10-21","18:00:00","" "7702599","8.954","0.001","9.981","0.001","17.05","0.002","90.01","0.01","98.83","0.01","103.09","0.01","1465.6","0.3","173","2","173","2","","","","","","","","9","P -1","-P 1","2","","","","- C58 H46 Au2 F6 Fe N2 O6 P2 S4 -","- C58 H46 Au2 F6 Fe N2 O6 P2 S4 -","- C58 H46 Au2 F6 Fe N2 O6 P2 S4 -","1","0.5","","Barranco, Eva M.; Crespo, Olga; Gimeno, M. Concepción; Jones, Peter G.; Laguna, Antonio; Sarroca, Cristina","1,1′-Bis(2-pyridylthio)ferrocene: a new ligand in gold and silver chemistry","Journal of the Chemical Society, Dalton Transactions","2001","","17","2523","","10.1039/b102636b","","","0.71073","MoKα","","0.0507","0.043","","","0.1097","0.1128","","","","","","1.023","","","","has coordinates","243919","2020-10-21","18:00:00","" "7702600","9.2447","0.0016","12.7873","0.0018","13.5004","0.0018","82.283","0.01","78.168","0.012","74.357","0.01","1498.9","0.4","173","2","173","2","","","","","","","","7","P -1","-P 1","2","CORTADO","","","- C62 H30 Au2 F30 Fe N2 S2 -","- C62 H16 Au2 F30 Fe N2 S2 -","- C62 H16 Au2 F30 Fe N2 S2 -","1","0.5","","Barranco, Eva M.; Crespo, Olga; Gimeno, M. Concepción; Jones, Peter G.; Laguna, Antonio; Sarroca, Cristina","1,1′-Bis(2-pyridylthio)ferrocene: a new ligand in gold and silver chemistry","Journal of the Chemical Society, Dalton Transactions","2001","","17","2523","","10.1039/b102636b","","","0.71073","MoKα","","0.0423","0.0323","","0.0763","0.0738","","","","0.956","1.022","1.022","","","","","has coordinates","243919","2020-10-21","18:00:00","" "7702601","28.074","0.009","13.025","0.004","26.836","0.009","90","","113.83","0.02","90","","8976","5","173","2","173","2","","","","","","","","9","C 1 2/c 1","-C 2yc","15","","","","- C67 H53 Ag2 Cl15 F6 Fe3 N6 O6 S8 -","- C67 H55 Ag2 Cl15 F6 Fe3 N6 O6 S8 -","- C268 H220 Ag8 Cl60 F24 Fe12 N24 O24 S32 -","4","0.5","","Barranco, Eva M.; Crespo, Olga; Gimeno, M. Concepción; Jones, Peter G.; Laguna, Antonio; Sarroca, Cristina","1,1′-Bis(2-pyridylthio)ferrocene: a new ligand in gold and silver chemistry","Journal of the Chemical Society, Dalton Transactions","2001","","17","2523","","10.1039/b102636b","","","0.71073","MoKα","","0.1006","0.0615","","","0.1464","0.1619","","","","","","0.905","","","","has coordinates","243919","2020-10-21","18:00:00","" "7702602","7.8993","0.0008","15.994","0.002","17.501","0.001","113.434","0.002","93.048","0.002","92.736","0.002","2020.1","0.3","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C12 H36 O18 Re4 -","- C12 H36 O18 Re4 -","- C36 H108 O54 Re12 -","3","1.5","","Seisenbaeva, Gulaim A.; Shevelkov, Andrei V.; Tegenfeldt, Jörgen; Kloo, Lars; Drobot, Dmitrii V.; Kessler, Vadim G.","Homo- and hetero-metallic rhenium oxomethoxide complexes with a M4(µ-O)2(µ-OMe)4 planar core—a new family of metal alkoxides displaying a peculiar structural disorder. Preparation and X-ray single crystal study","Journal of the Chemical Society, Dalton Transactions","2001","","19","2762","","10.1039/b103287a","","","0.71069","MoKα","","0.0574","0.0348","","","0.0664","0.0701","","","","","","0.832","","","","has coordinates","243921","2020-10-21","18:00:00","" "7702603","7.9141","0.0004","16.0535","0.0008","17.5938","0.0009","113.322","0.001","93.355","0.001","92.754","0.001","2042.93","0.18","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C12 H36 Mo O18 Re3 -","- C12 H36 Mo0.993333 O17.8 Re3.014 -","- C36 H108 Mo2.98 O53.4 Re9.042 -","3","1.5","","Seisenbaeva, Gulaim A.; Shevelkov, Andrei V.; Tegenfeldt, Jörgen; Kloo, Lars; Drobot, Dmitrii V.; Kessler, Vadim G.","Homo- and hetero-metallic rhenium oxomethoxide complexes with a M4(µ-O)2(µ-OMe)4 planar core—a new family of metal alkoxides displaying a peculiar structural disorder. Preparation and X-ray single crystal study","Journal of the Chemical Society, Dalton Transactions","2001","","19","2762","","10.1039/b103287a","","","0.71069","MoKα","","0.0953","0.0685","","","0.1575","0.1632","","","","","","0.897","","","","has coordinates","243921","2020-10-21","18:00:00","" "7702604","7.905","0.002","15.997","0.004","17.519","0.006","113.41","0.02","92.92","0.02","92.71","0.03","2024.9","1.1","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C12 H36 Mo2.4 O18 Re1.6 -","- C12 H36 Mo1.98 O17.8 Re2.02667 -","- C36 H108 Mo5.94 O53.4 Re6.08 -","3","1.5","","Seisenbaeva, Gulaim A.; Shevelkov, Andrei V.; Tegenfeldt, Jörgen; Kloo, Lars; Drobot, Dmitrii V.; Kessler, Vadim G.","Homo- and hetero-metallic rhenium oxomethoxide complexes with a M4(µ-O)2(µ-OMe)4 planar core—a new family of metal alkoxides displaying a peculiar structural disorder. Preparation and X-ray single crystal study","Journal of the Chemical Society, Dalton Transactions","2001","","19","2762","","10.1039/b103287a","","","0.71069","MoKα","","0.0745","0.0534","","","0.1214","0.1242","","","","","","0.816","","","","has coordinates","243921","2020-10-21","18:00:00","" "7702605","9.716","0.004","15.888","0.007","12.128","0.006","90","","101.059","0.009","90","","1837.4","1.4","295","2","295","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H42 Nb4 O24 Re2 -","- C14 H42 Nb4 O24 Re2 -","- C28 H84 Nb8 O48 Re4 -","2","0.5","","Seisenbaeva, Gulaim A.; Shevelkov, Andrei V.; Tegenfeldt, Jörgen; Kloo, Lars; Drobot, Dmitrii V.; Kessler, Vadim G.","Homo- and hetero-metallic rhenium oxomethoxide complexes with a M4(µ-O)2(µ-OMe)4 planar core—a new family of metal alkoxides displaying a peculiar structural disorder. Preparation and X-ray single crystal study","Journal of the Chemical Society, Dalton Transactions","2001","","19","2762","","10.1039/b103287a","","","0.71073","MoKα","","0.1016","0.0552","","","0.1422","0.1564","","","","","","0.875","","","","has coordinates","243921","2020-10-21","18:00:00","" "7702606","9.8256","0.0017","15.938","0.003","12.265","0.002","90","","101.344","0.003","90","","1883.2","0.6","295","2","295","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H42 O24 Re2 Ta4 -","- C14 H42 O24 Re2 Ta4 -","- C28 H84 O48 Re4 Ta8 -","2","0.5","","Seisenbaeva, Gulaim A.; Shevelkov, Andrei V.; Tegenfeldt, Jörgen; Kloo, Lars; Drobot, Dmitrii V.; Kessler, Vadim G.","Homo- and hetero-metallic rhenium oxomethoxide complexes with a M4(µ-O)2(µ-OMe)4 planar core—a new family of metal alkoxides displaying a peculiar structural disorder. Preparation and X-ray single crystal study","Journal of the Chemical Society, Dalton Transactions","2001","","19","2762","","10.1039/b103287a","","","0.71073","MoKα","","0.1122","0.0677","","","0.1548","0.1698","","","","","","0.926","","","","has coordinates","243921","2020-10-21","18:00:00","" "7702607","9.347","0.003","11.033","0.002","8.607","0.002","101.65","0.02","92.07","0.02","75.28","0.02","840.7","0.4","296.2","","","","","","","","","","","6","P -1","-P 1","2","","","","- C16 H11 Cu2 N2 Na O9 -","- C16 H11 Cu2 N2 Na O9 -","- C32 H22 Cu4 N4 Na2 O18 -","2","1","","Ikeda, Kazuhide; Ohba, Masaaki; ÅŒkawa, Hisashi","Dinuclear CuII and NiII complexes of 3-formylsalicylic acid oxime: cis/trans topology and extension of a cis-CuII2 complex to a pentanuclear CuIICuIIMnIICuIICuII complex","Journal of the Chemical Society, Dalton Transactions","2001","","20","3119","","10.1039/b103384k","","","0.7107","MoKα","","","0.0339","","","","0.0485","","","","","","1.917","","","","has coordinates","243922","2020-10-21","18:00:00","" "7702608","7.779","0.004","15.561","0.004","11.124","0.002","90","","99.07","0.02","90","","1329.7","0.8","296.2","","","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C16 H34 N2 Ni2 O20 -","- C16 H32 N2 Ni2 O20 -","- C32 H64 N4 Ni4 O40 -","2","0.5","","Ikeda, Kazuhide; Ohba, Masaaki; ÅŒkawa, Hisashi","Dinuclear CuII and NiII complexes of 3-formylsalicylic acid oxime: cis/trans topology and extension of a cis-CuII2 complex to a pentanuclear CuIICuIIMnIICuIICuII complex","Journal of the Chemical Society, Dalton Transactions","2001","","20","3119","","10.1039/b103384k","","","0.7107","MoKα","","","0.0322","","","","0.0428","","","","","","1.743","","","","has coordinates","243922","2020-10-21","18:00:00","" "7702609","11.2151","0.0007","13.1298","0.0007","8.2073","0.0004","94.744","0.002","99.76","0.002","77.517","0.003","1161.56","0.11","183.2","","","","","","","","","","","6","P -1","-P 1","2","","","","- C38 H48 Cu4 Mn N6 O26 -","- C38 H48 Cu4 Mn N6 O26 -","- C38 H48 Cu4 Mn N6 O26 -","1","0.5","","Ikeda, Kazuhide; Ohba, Masaaki; ÅŒkawa, Hisashi","Dinuclear CuII and NiII complexes of 3-formylsalicylic acid oxime: cis/trans topology and extension of a cis-CuII2 complex to a pentanuclear CuIICuIIMnIICuIICuII complex","Journal of the Chemical Society, Dalton Transactions","2001","","20","3119","","10.1039/b103384k","","","0.7107","MoKα","","","0.0335","","","","0.0389","","","","","","1.27","","","","has coordinates","243922","2020-10-21","18:00:00","" "7702610","13.97","0.004","11.088","0.003","17.488","0.005","90","","96.19","0.02","90","","2693.1","1.3","173","","173","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C38 H82 N2 O20 Ti4 -","- C38 H82 N2 O20 Ti4 -","- C76 H164 N4 O40 Ti8 -","2","0.5","","Weymann-Schildknetch, Sandrine; Henry, Marc","Mechanistic aspects of the hydrolysis and condensation of titanium alkoxides complexed by tripodal ligands†","Journal of the Chemical Society, Dalton Transactions","2001","","16","2425","","10.1039/b103398k","","","1.5418","Cu-Kα","","","0.043","","","0.063","","","","","1.406","1.406","","","","","has coordinates","243923","2020-10-21","18:00:00","" "7702611","13.351","0.005","13.158","0.004","13.182","0.005","90","","102.44","0.02","90","","2261.3","1.4","173","","173","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C28 H62 N2 O20 Ti4 -","- C28 H62 N2 O22 Ti4 -","- C112 H248 N8 O88 Ti16 -","4","0.5","","Weymann-Schildknetch, Sandrine; Henry, Marc","Mechanistic aspects of the hydrolysis and condensation of titanium alkoxides complexed by tripodal ligands†","Journal of the Chemical Society, Dalton Transactions","2001","","16","2425","","10.1039/b103398k","","","1.5418","Cu-Kα","","","0.048","","","0.07","","","","","1.439","1.439","","","","","has coordinates","243923","2020-10-21","18:00:00","" "7702612","11.057","0.003","14.115","0.004","18.362","0.005","70.45","0.02","81.54","0.02","86.3","0.02","2670.8","1.3","173","","173","","","","","","","","","5","P -1","-P 1","2","","","","- C80 H168 N4 O38 Ti8 -","- C80 N4 O38 Ti8 -","- C80 N4 O38 Ti8 -","1","0.5","","Weymann-Schildknetch, Sandrine; Henry, Marc","Mechanistic aspects of the hydrolysis and condensation of titanium alkoxides complexed by tripodal ligands†","Journal of the Chemical Society, Dalton Transactions","2001","","16","2425","","10.1039/b103398k","","","0.71073","Mo-Kα","","","0.078","","","0.093","","","","","1.181","1.181","","","","","has coordinates","243923","2020-10-21","18:00:00","" "7702613","10.434","0.002","11.215","0.002","12.8942","0.0015","89.639","0.012","73.372","0.011","66.079","0.013","1311.2","0.4","293","2","293","2","","","","","","","synthesized by H. Grove","7","P -1","-P 1","2","","","","- C18 H24 Cl4 Cu2 N4 O3 S2 -","- C18 H24 Cl4 Cu2 N4 O3 S2 -","- C36 H48 Cl8 Cu4 N8 O6 S4 -","2","1","","Grove, Hilde; Sletten, Jorunn; Julve, Miguel; Lloret, Francesc","Solid state polymerization causing transition to a ferromagnetic state. Crystal structures and magnetic properties of [Cu2(dpp)(H2O)(dmso)Cl4]·dmso and [Cu2(dpp)Cl4]n (dpp = 2,3-bis(2-pyridyl)pyrazine)","Journal of the Chemical Society, Dalton Transactions","2001","","17","2487","","10.1039/b103588f","","","0.71073","MoKα","","0.0499","0.0353","","0.0861","0.0776","","","","1.07","1.084","1.084","","","","","has coordinates","243924","2020-10-21","18:00:00","" "7702614","15.1964","0.0003","15.0813","0.0008","7.2346","0.0004","90","","91.876","0.003","90","","1657.15","0.13","173","2","173","2","","","","","","","synthesized by H. Grove","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H10 Cl4 Cu2 N4 -","- C14 H10 Cl4 Cu2 N4 -","- C56 H40 Cl16 Cu8 N16 -","4","1","","Grove, Hilde; Sletten, Jorunn; Julve, Miguel; Lloret, Francesc","Solid state polymerization causing transition to a ferromagnetic state. Crystal structures and magnetic properties of [Cu2(dpp)(H2O)(dmso)Cl4]·dmso and [Cu2(dpp)Cl4]n (dpp = 2,3-bis(2-pyridyl)pyrazine)","Journal of the Chemical Society, Dalton Transactions","2001","","17","2487","","10.1039/b103588f","","","0.71073","MoKα","","0.0997","0.0445","","0.1164","0.0676","","","","0.975","1.077","1.077","","","","","has coordinates","243924","2020-10-21","18:00:00","" "7702615","7.361","0.003","19.112","0.002","11.851","0.002","90","","95.09","0.02","90","","1660.7","0.8","296","2","296","2","","","","","","","","6","P 1 n 1","P -2yac","7","[CoCl~2~(NITmepy)]","Dichloro(2-(2-pyridyl)-4,4,5,5-tetramethylimidazoline-1-oxyl-3-oxide)cobalt( II)","","- C13 H18 Cl2 Co N3 O2 -","- C13 H18 Cl2 Co N3 O2 -","- C52 H72 Cl8 Co4 N12 O8 -","4","2","","Yamamoto, Youhei; Suzuki, Takayoshi; Kaizaki, Sumio","Syntheses, structures, magnetic, and spectroscopic properties of cobalt(ii), nickel(ii) and zinc(ii) complexes containing 2-(6-methyl)pyridyl-substituted nitronyl and imino nitroxide†","Journal of the Chemical Society, Dalton Transactions","2001","","19","2943","","10.1039/b103647p","","","0.71069","MoKα","","0.1343","0.0376","","","0.0863","0.1101","","","","","","0.958","","","","has coordinates","243925","2020-10-21","18:00:00","" "7702616","7.3499","0.0018","19.4867","0.0015","12.055","0.002","90","","95.491","0.017","90","","1718.7","0.5","296","2","296","2","","","","","","","","6","P 1 n 1","P -2yac","7","[CoBr~2~(NITmepy)]","Dibromo(2-(2-pyridyl)-4,4,5,5-tetramethylimidazoline-1-oxyl-3-oxide)cobalt(I I)","","- C13 H18 Br2 Co N3 O2 -","- C13 H18 Br2 Co N3 O2 -","- C52 H72 Br8 Co4 N12 O8 -","4","2","","Yamamoto, Youhei; Suzuki, Takayoshi; Kaizaki, Sumio","Syntheses, structures, magnetic, and spectroscopic properties of cobalt(ii), nickel(ii) and zinc(ii) complexes containing 2-(6-methyl)pyridyl-substituted nitronyl and imino nitroxide†","Journal of the Chemical Society, Dalton Transactions","2001","","19","2943","","10.1039/b103647p","","","0.71069","MoKα","","0.1471","0.0434","","","0.1009","0.1275","","","","","","0.965","","","","has coordinates","243925","2020-10-21","18:00:00","" "7702617","15.6132","0.0018","13.2356","0.0019","15.866","0.003","90","","95.909","0.011","90","","3261.3","0.9","296","2","296","2","","","","","","","","6","P 1 21/a 1","-P 2yab","14","[CoCl~2~(IMmepy)]","Dichloro(2-(2-pyridyl)-4,4,5,5-tetramethylimidazoline-1-oxy)cobalt(II)","","- C13 H18 Cl2 Co N3 O -","- C13 H18 Cl2 Co N3 O -","- C104 H144 Cl16 Co8 N24 O8 -","8","2","","Yamamoto, Youhei; Suzuki, Takayoshi; Kaizaki, Sumio","Syntheses, structures, magnetic, and spectroscopic properties of cobalt(ii), nickel(ii) and zinc(ii) complexes containing 2-(6-methyl)pyridyl-substituted nitronyl and imino nitroxide†","Journal of the Chemical Society, Dalton Transactions","2001","","19","2943","","10.1039/b103647p","","","0.71069","MoKα","","0.1724","0.0398","","","0.0875","0.114","","","","","","0.962","","","","has coordinates","243925","2020-10-21","18:00:00","" "7702618","7.38","0.003","19.103","0.003","11.853","0.002","90","","95.74","0.02","90","","1662.7","0.8","296","2","296","2","","","","","","","","6","P 1 n 1","P -2yac","7","[ZnCl~2~(NITmepy)]","Dichloro(2-(2-pyridyl)-4,4,5,5-tetramethylimidazoline-1-oxyl-3-oxide)zinc(II )","","- C13 H18 Cl2 N3 O2 Zn -","- C13 H18 Cl2 N3 O2 Zn -","- C52 H72 Cl8 N12 O8 Zn4 -","4","2","","Yamamoto, Youhei; Suzuki, Takayoshi; Kaizaki, Sumio","Syntheses, structures, magnetic, and spectroscopic properties of cobalt(ii), nickel(ii) and zinc(ii) complexes containing 2-(6-methyl)pyridyl-substituted nitronyl and imino nitroxide†","Journal of the Chemical Society, Dalton Transactions","2001","","19","2943","","10.1039/b103647p","","","0.71069","MoKα","","0.096","0.0338","","","0.0817","0.0987","","","","","","1.001","","","","has coordinates","243925","2020-10-21","18:00:00","" "7702619","15.6669","0.0014","13.2652","0.0018","15.8854","0.0018","90","","95.677","0.008","90","","3285.2","0.7","293","2","296","2","","","","","","","","6","P 1 21/a 1","-P 2yab","14","[ZnCl~2~(IMmepy)]","Dichloro(2-(2-pyridyl)-4,4,5,5-tetramethylimidazoline-1-oxy)zinc(II)","","- C13 H18 Cl2 N3 O Zn -","- C13 H18 Cl2 N3 O Zn -","- C104 H144 Cl16 N24 O8 Zn8 -","8","2","","Yamamoto, Youhei; Suzuki, Takayoshi; Kaizaki, Sumio","Syntheses, structures, magnetic, and spectroscopic properties of cobalt(ii), nickel(ii) and zinc(ii) complexes containing 2-(6-methyl)pyridyl-substituted nitronyl and imino nitroxide†","Journal of the Chemical Society, Dalton Transactions","2001","","19","2943","","10.1039/b103647p","","","0.71069","MoKα","","0.2104","0.0429","","","0.0924","0.1276","","","","","","0.912","","","","has coordinates","243925","2020-10-21","18:00:00","" "7702620","10.2119","0.0019","10.892","0.003","14.5148","0.0017","90","","99.292","0.011","90","","1593.3","0.6","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","[{NiCl(IMmepy)}~2~(μ-Cl)~2~]","Bis(μ-chloro)bis(chloro(2-(6'-methyl-2'-pyridyl)-4,4,5,5- tetramethylimidazoline-1-oxy)nickel(II))","","- C13 H18 Cl2 N3 Ni O -","- C13 H18 Cl2 N3 Ni O -","- C52 H72 Cl8 N12 Ni4 O4 -","4","1","","Yamamoto, Youhei; Suzuki, Takayoshi; Kaizaki, Sumio","Syntheses, structures, magnetic, and spectroscopic properties of cobalt(ii), nickel(ii) and zinc(ii) complexes containing 2-(6-methyl)pyridyl-substituted nitronyl and imino nitroxide†","Journal of the Chemical Society, Dalton Transactions","2001","","19","2943","","10.1039/b103647p","","","0.71069","MoKα","","0.0563","0.03","","","0.0759","0.0847","","","","","","1.04","","","","has coordinates","243925","2020-10-21","18:00:00","" "7702621","11.904","0.004","17.073","0.003","15.216","0.002","90","","94.728","0.019","90","","3081.9","1.2","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","[Ni(NCS)~2~(IMmepy)~2~]","Bis(thiocyanato)bis(2-(6'-methyl-2'-pyridyl)-4,4,5,5- tetramethylimidazoline-1-oxy)nickel(II)","","- C28 H36 N8 Ni O2 S2 -","- C28 H36 N8 Ni O2 S2 -","- C112 H144 N32 Ni4 O8 S8 -","4","1","","Yamamoto, Youhei; Suzuki, Takayoshi; Kaizaki, Sumio","Syntheses, structures, magnetic, and spectroscopic properties of cobalt(ii), nickel(ii) and zinc(ii) complexes containing 2-(6-methyl)pyridyl-substituted nitronyl and imino nitroxide†","Journal of the Chemical Society, Dalton Transactions","2001","","19","2943","","10.1039/b103647p","","","0.71069","MoKα","","0.1454","0.0435","","","0.1024","0.1283","","","","","","0.97","","","","has coordinates","243925","2020-10-21","18:00:00","" "7702622","8.015","0.004","9.16","0.007","11.942","0.009","81.2","","71.09","","74.88","0.01","798.5","0.9","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C12 H8 N2 O9 P2 V Zn2 -","- C12 H8 N2 O9 P2 V Zn2 -","- C24 H16 N4 O18 P4 V2 Zn4 -","2","1","","Zhang, Xian-Ming; Tong, Ming-Liang; Feng, Shou-Hua; Chen, Xiao-Ming","The unique dual role of zinc atoms in a mixed zinc‒vanadium phosphate [Zn(phen)Zn(VO)(PO4)2]","Journal of the Chemical Society, Dalton Transactions","2001","","14","2069","","10.1039/b103875n","","","0.71073","MoKα","","0.0755","0.0488","","","0.1137","0.1264","","","","","","1.013","","","","has coordinates","243927","2020-10-21","18:00:00","" "7702623","9.901","0.001","26.277","0.003","10.51","0.003","90","","105.93","0.02","90","","2629.4","0.9","200","2","200","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C25 H30 Cu N4 O10 -","- C25 H30 Cu N4 O10 -","- C100 H120 Cu4 N16 O40 -","4","1","","Mao, Zong-Wan; Heinemann, Frank W.; Liehr, Günther; Eldik, Rudi van","Complex-formation reactions of Cu(ii) and Zn(ii) 2,2′-bipyridine and 1,10-phenanthroline complexes with bicarbonate. Identification of different carbonate coordination modes","Journal of the Chemical Society, Dalton Transactions","2001","","24","3652","","10.1039/b103942n","","","0.71073","MoKα","","0.0752","0.0533","","0.1413","0.1275","","","","1.016","1.07","1.07","","","","","has coordinates","243928","2020-10-21","18:00:00","" "7702624","11.007","0.002","11.683","0.002","13.345","0.002","78.18","0.01","75.83","0.02","70.37","0.03","1553","0.5","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","","","- C25 H38 Cu N4 O14 -","- C25 H38 Cu N4 O14 -","- C50 H76 Cu2 N8 O28 -","2","1","","Mao, Zong-Wan; Heinemann, Frank W.; Liehr, Günther; Eldik, Rudi van","Complex-formation reactions of Cu(ii) and Zn(ii) 2,2′-bipyridine and 1,10-phenanthroline complexes with bicarbonate. Identification of different carbonate coordination modes","Journal of the Chemical Society, Dalton Transactions","2001","","24","3652","","10.1039/b103942n","","","0.71073","MoKα","","0.0585","0.0447","","0.1219","0.1128","","","","1.075","1.105","1.105","","","","","has coordinates","243928","2020-10-21","18:00:00","" "7702625","12.488","0.001","12.832","0.001","30.367","0.004","90.05","0.01","91.93","0.01","94.78","0.01","4846.5","0.8","295","2","295","2","","","","","","","","6","P -1","-P 1","2","","","","- C49 H40.5 Cl2 Cu2 N8 O15.25 -","- C49 H32 Cl2 Cu2 N8 O15.25 -","- C196 H128 Cl8 Cu8 N32 O61 -","4","2","","Mao, Zong-Wan; Heinemann, Frank W.; Liehr, Günther; Eldik, Rudi van","Complex-formation reactions of Cu(ii) and Zn(ii) 2,2′-bipyridine and 1,10-phenanthroline complexes with bicarbonate. Identification of different carbonate coordination modes","Journal of the Chemical Society, Dalton Transactions","2001","","24","3652","","10.1039/b103942n","","","0.71073","MoKα","","0.2095","0.0882","","0.2367","0.1707","","","","1.031","1.19","1.19","","","","","has coordinates","243928","2020-10-21","18:00:00","" "7702626","11.44","0.01","21.57","0.01","20.26","0.01","90","","91.4","0.1","90","","4998","6","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C52 H41 Cl2 Cu2 N9 O13 -","- C52 H41 Cl2 Cu2 N9 O13 -","- C208 H164 Cl8 Cu8 N36 O52 -","4","1","","Mao, Zong-Wan; Heinemann, Frank W.; Liehr, Günther; Eldik, Rudi van","Complex-formation reactions of Cu(ii) and Zn(ii) 2,2′-bipyridine and 1,10-phenanthroline complexes with bicarbonate. Identification of different carbonate coordination modes","Journal of the Chemical Society, Dalton Transactions","2001","","24","3652","","10.1039/b103942n","","","0.71073","MoKα","","0.0887","0.0453","","","0.0968","0.1188","","","","","","1.051","","","","has coordinates","243928","2020-10-21","18:00:00","" "7702627","10.976","0.002","14.009","0.002","16.347","0.003","90","","107.84","0.01","90","","2392.7","0.7","295","2","295","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C41 H48 N10 O17 Zn2 -","- C41 H32 N10 O17 Zn2 -","- C82 H64 N20 O34 Zn4 -","2","1","","Mao, Zong-Wan; Heinemann, Frank W.; Liehr, Günther; Eldik, Rudi van","Complex-formation reactions of Cu(ii) and Zn(ii) 2,2′-bipyridine and 1,10-phenanthroline complexes with bicarbonate. Identification of different carbonate coordination modes","Journal of the Chemical Society, Dalton Transactions","2001","","24","3652","","10.1039/b103942n","","","0.71073","MoKα","","0.1178","0.0606","","0.1508","0.122","","","","1.052","1.135","1.135","","","","","has coordinates","243928","2020-10-21","18:00:00","" "7702628","12.4984","0.0002","13.1225","0.0003","15.9587","0.0003","90.213","0.001","91.173","0.001","101.733","0.001","2562.08","0.09","143","2","143","2","","","","","","","","7","P -1","-P 1","2","","","","- C51 H46 Au2 Cl2 O4 P2 S2 -","- C51 H46 Au2 Cl2 O4 P2 S2 -","- C102 H92 Au4 Cl4 O8 P4 S4 -","2","1","","Römbke, Patric; Schier, Annette; Schmidbaur, Hubert","Gold(I) organosulfinate and organosulfonate complexes","Journal of the Chemical Society, Dalton Transactions","2001","","17","2482","","10.1039/b104001b","","","0.71073","MoKα","","0.0342","0.0307","","","0.0717","0.0737","","","","","","1.057","","","","has coordinates","243929","2020-10-21","18:00:00","" "7702629","18.7637","0.0002","16.5719","0.0002","17.9879","0.0002","90","","111.59","0.001","90","","5200.92","0.11","143","2","143","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C26 H24 Au Cl2 O3 P S -","- C26 H24 Au Cl2 O3 P S -","- C208 H192 Au8 Cl16 O24 P8 S8 -","8","1","","Römbke, Patric; Schier, Annette; Schmidbaur, Hubert","Gold(I) organosulfinate and organosulfonate complexes","Journal of the Chemical Society, Dalton Transactions","2001","","17","2482","","10.1039/b104001b","","","0.71073","MoKα","","0.031","0.0276","","","0.0633","0.0646","","","","","","1.148","","","","has coordinates","243929","2020-10-21","18:00:00","" "7702635","20.9212","0.001","20.9212","0.001","20.9212","0.001","90","","90","","90","","9157.1","0.8","293","2","293","2","","","","","","","","7","I 2 3","I 2 2 3","197","","","","- C18 H48 Cl3 F6 Mo3 P7 Se4 -","- C18 H48 Cl3 F6 Mo3 P7 Se4 -","- C144 H384 Cl24 F48 Mo24 P56 Se32 -","8","0.333333","","Llusar, Rosa; Uriel, Santiago; Vicent, Cristian","Transition metal incorporation into seleno-bridged cubane type clusters of molybdenum and tungsten. X-Ray crystal structures of the first [Mo3CuSe4] derivatives†","Journal of the Chemical Society, Dalton Transactions","2001","","19","2813","","10.1039/b104262a","","","0.71073","MoKα","","0.0521","0.0503","","","0.1427","0.1436","","","","","","1.207","","","","has coordinates","243931","2020-10-21","18:00:00","" "7702636","21.0599","0.0005","21.0599","0.0005","21.0599","0.0005","90","","90","","90","","9340.5","0.4","293","2","293","2","","","","","","","","7","I 2 3","I 2 2 3","197","","","","- C18 H48 Br3 F6 P7 Se4 W3 -","- C18 H48 Br3 F6.03 P7.005 Se4 W3 -","- C144 H384 Br24 F48.24 P56.04 Se32 W24 -","8","0.333333","","Llusar, Rosa; Uriel, Santiago; Vicent, Cristian","Transition metal incorporation into seleno-bridged cubane type clusters of molybdenum and tungsten. X-Ray crystal structures of the first [Mo3CuSe4] derivatives†","Journal of the Chemical Society, Dalton Transactions","2001","","19","2813","","10.1039/b104262a","","","0.71073","MoKα","","0.0363","0.0297","","","0.0919","0.0955","","","","","","1.126","","","","has coordinates","243931","2020-10-21","18:00:00","" "7702637","12.607","0.006","15.879","0.008","21.314","0.011","90","","90.18","0.014","90","","4267","4","293","2","293","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C18 H48 Cl4 Cu F6 Mo3 P7 Se4 -","- C18 H48 Cl4 Cu F6 Mo3 P7 Se4 -","- C72 H192 Cl16 Cu4 F24 Mo12 P28 Se16 -","4","1","","Llusar, Rosa; Uriel, Santiago; Vicent, Cristian","Transition metal incorporation into seleno-bridged cubane type clusters of molybdenum and tungsten. X-Ray crystal structures of the first [Mo3CuSe4] derivatives†","Journal of the Chemical Society, Dalton Transactions","2001","","19","2813","","10.1039/b104262a","","","0.71073","MoKα","","0.1237","0.0615","","","0.1181","0.1299","","","","","","0.763","","","","has coordinates,has disorder","243931","2020-10-21","18:00:00","" "7702638","12.799","0.0005","23.8115","0.0009","16.5128","0.0006","90","","90.781","0.001","90","","5032","0.3","293","2","293","2","","","","","","","","9","P 1 21/n 1","-P 2yn","14","","","","- C19 H48 Br4 Cl2 Cu F6 Mo3 P7 Se4 -","- C19 H48 Br4 Cl2 Cu F6 Mo3 P7 Se4 -","- C76 H192 Br16 Cl8 Cu4 F24 Mo12 P28 Se16 -","4","1","","Llusar, Rosa; Uriel, Santiago; Vicent, Cristian","Transition metal incorporation into seleno-bridged cubane type clusters of molybdenum and tungsten. X-Ray crystal structures of the first [Mo3CuSe4] derivatives†","Journal of the Chemical Society, Dalton Transactions","2001","","19","2813","","10.1039/b104262a","","","0.71073","MoKα","","0.0994","0.0489","","","0.1261","0.145","","","","","","0.996","","","","has coordinates","243931","2020-10-21","18:00:00","" "7702639","29.3712","0.001","16.9227","0.0005","17.6075","0.0009","90","","105.453","0.002","90","","8435.3","0.6","173","2","173","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C48 H56 Cl O3 P2 Re -","- C48 H56 Cl O3 P2 Re -","- C384 H448 Cl8 O24 P16 Re8 -","8","1","","Kovacs, Michael S.; Hein, Peter; Sattarzadeh, Sherwin; Patrick, Brian O.; Emge, Thomas J.; Orvig, Chris","Complexes of phosphine–phenolate ligands with the [ReO]3+ and [Re(HNNC5H4N)(NNC5H4N)]2+ cores","Journal of the Chemical Society, Dalton Transactions","2001","","20","3015","","10.1039/b104274m","","","0.71069","MoKα","","0.0651","0.0384","","","0.0995","0.1109","","","","","","0.968","","","","has coordinates,has disorder","243932","2020-10-21","18:00:00","" "7702640","9.5519","0.0003","18.9971","0.0006","21.8244","0.0014","90","","90","","90","","3960.2","0.3","173","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C44 H41 N2 O5 P2 Re -","- C44 H41 N2 O5 P2 Re -","- C176 H164 N8 O20 P8 Re4 -","4","1","","Kovacs, Michael S.; Hein, Peter; Sattarzadeh, Sherwin; Patrick, Brian O.; Emge, Thomas J.; Orvig, Chris","Complexes of phosphine–phenolate ligands with the [ReO]3+ and [Re(HNNC5H4N)(NNC5H4N)]2+ cores","Journal of the Chemical Society, Dalton Transactions","2001","","20","3015","","10.1039/b104274m","","","0.71069","MoKα","","0.0488","0.0319","","","0.0692","0.0777","","","","","","0.618","","","","has coordinates","243932","2020-10-21","18:00:00","" "7702641","14.944","0.0008","16.1173","0.0007","19.0034","0.0014","81.996","0.002","77.802","0.002","78.955","0.002","4367.6","0.4","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C46 H38 Cl N6 O2 P2 Re -","- C46 H38 Cl N6 O2 P2 Re -","- C184 H152 Cl4 N24 O8 P8 Re4 -","4","2","","Kovacs, Michael S.; Hein, Peter; Sattarzadeh, Sherwin; Patrick, Brian O.; Emge, Thomas J.; Orvig, Chris","Complexes of phosphine–phenolate ligands with the [ReO]3+ and [Re(HNNC5H4N)(NNC5H4N)]2+ cores","Journal of the Chemical Society, Dalton Transactions","2001","","20","3015","","10.1039/b104274m","","","0.71069","MoKα","","0.0569","0.0418","","","0.0985","0.1061","","","","","","1.132","","","","has coordinates","243932","2020-10-21","18:00:00","" "7702642","12.294","0.002","14.5","0.004","14.999","0.005","90","0.02","90","0.02","90","0.02","2673.8","1.2","153","5","153","5","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C28 H23 Cl N6 O P Re -","- C28 H23 Cl N6 O P Re -","- C112 H92 Cl4 N24 O4 P4 Re4 -","4","1","","Kovacs, Michael S.; Hein, Peter; Sattarzadeh, Sherwin; Patrick, Brian O.; Emge, Thomas J.; Orvig, Chris","Complexes of phosphine–phenolate ligands with the [ReO]3+ and [Re(HNNC5H4N)(NNC5H4N)]2+ cores","Journal of the Chemical Society, Dalton Transactions","2001","","20","3015","","10.1039/b104274m","","","1.54184","CuKα","","0.026","0.0257","","","0.0675","0.0676","","","","","","1.009","","","","has coordinates","243932","2020-10-21","18:00:00","" "7702643","22.861","0.003","7.5781","0.0008","10.9377","0.0012","90","","108.025","0.002","90","","1801.9","0.4","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","(E)-Fc-==-Fc-CHO","","","- C23 H17 Fe2 O -","- C23 H17 Fe2 O -","- C92 H68 Fe8 O4 -","4","0.5","","Mata, José A.; Peris, Eduardo","Syntheses, crystal structures and electrochemical studies of bi- and trimetallic conjugated ferrocene-based complexes","Journal of the Chemical Society, Dalton Transactions","2001","","24","3634","","10.1039/b104433h","","","0.71073","MoKα","","0.0728","0.0571","","","0.1577","0.1664","","","","","","1.079","","","","has coordinates","243934","2020-10-21","18:00:00","" "7702644","10.4406","0.0008","15.073","0.0012","20.1531","0.0016","83.488","0.002","77.095","0.002","84.63","0.002","3063.8","0.4","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C34 H25 Cr Fe2 N O5 -","- C34 H25 Cr Fe2 N O5 -","- C136 H100 Cr4 Fe8 N4 O20 -","4","2","","Mata, José A.; Peris, Eduardo","Syntheses, crystal structures and electrochemical studies of bi- and trimetallic conjugated ferrocene-based complexes","Journal of the Chemical Society, Dalton Transactions","2001","","24","3634","","10.1039/b104433h","","","0.71073","MoKα","","0.0929","0.0416","","","0.0835","0.1062","","","","","","0.906","","","","has coordinates","243934","2020-10-21","18:00:00","" "7702645","10.4088","0.0011","15.1733","0.0015","20.49","0.002","83.278","0.002","77.073","0.002","85","0.002","3126.2","0.5","293","2","293","2","","","","","","","","6","P -1","-P 1","2","Fc-==-Fc-==-Py-Mo(CO)5","","","- C34 H25 Fe2 Mo N O5 -","- C34 H25 Fe2 Mo N O5 -","- C136 H100 Fe8 Mo4 N4 O20 -","4","2","","Mata, José A.; Peris, Eduardo","Syntheses, crystal structures and electrochemical studies of bi- and trimetallic conjugated ferrocene-based complexes","Journal of the Chemical Society, Dalton Transactions","2001","","24","3634","","10.1039/b104433h","","","0.71073","MoKα","","0.2101","0.0467","","","0.0819","0.1201","","","","","","0.794","","","","has coordinates","243934","2020-10-21","18:00:00","" "7702646","10.4332","0.0006","15.1577","0.0008","20.3793","0.0011","83.056","0.001","76.951","0.001","84.614","0.001","3109.2","0.3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","(E,E)-Fc-==-Fc-==-Py-W(CO)5","","","- C34 H25 Fe2 N O5 W -","- C34 H25 Fe2 N O5 W -","- C136 H100 Fe8 N4 O20 W4 -","4","2","","Mata, José A.; Peris, Eduardo","Syntheses, crystal structures and electrochemical studies of bi- and trimetallic conjugated ferrocene-based complexes","Journal of the Chemical Society, Dalton Transactions","2001","","24","3634","","10.1039/b104433h","","","0.71073","MoKα","","0.0761","0.0409","","","0.0928","0.1002","","","","","","0.902","","","","has coordinates","243934","2020-10-21","18:00:00","" "7702647","8.712","0.003","9.094","0.002","34.48","0.02","90","","92","0.04","90","","2730.1","1.9","293","","293","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C19 H32 F12 N2 P2 Pd S2 -","- C19 H32 F12 N2 P2 Pd S2 -","- C76 H128 F48 N8 P8 Pd4 S8 -","4","1","","Atkinson, Ian M.; Chartres, Jy D.; Groth, Andrew M.; Lindoy, Leonard F.; Lowe, Mark P.; Meehan, George V.; Skelton, Brian W.; White, Allan H.","New linked macrocyclic systems. Interaction of palladium(ii) and platinum(ii) with tri-linked N2S2-donor macrocycles and their single-ring analogues","Journal of the Chemical Society, Dalton Transactions","2001","","19","2801","","10.1039/b104492n","","","0.71073","MoKα","","0.05","0.044","","0.053","","0.052","","","1.207","","","1.33","","","","has coordinates","243935","2020-10-21","18:00:00","" "7702648","7.467","0.0015","15.906","0.003","16.692","0.003","90","","100.37","0.03","90","","1950.1","0.7","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","1,4-bis((PEt3)2Platinumiodide)benzene","","","- C30 H64 I2 P4 Pt2 -","- C30 H64 I2 P4 Pt2 -","- C60 H128 I4 P8 Pt4 -","2","0.5","","Gardinier, James R.; Clérac, Rodolphe; Gabbaï, François P.","Preparation, structural studies, and magnetic properties of coordination complexes of bimetallic arylplatinum compounds and pyridyl nitronyl nitroxide radicals","Journal of the Chemical Society, Dalton Transactions","2001","","23","3453","","10.1039/b104579m","","","0.71073","MoKα","","0.0258","0.0254","","","0.0618","0.0621","","","","","","1.257","","","","has coordinates","243936","2020-10-21","18:00:00","" "7702649","10.2652","0.0015","10.2652","0.0015","38.177","0.008","90","","90","","90","","4022.9","1.2","110","2","110","2","","","","","","","","5","P 43 21 2","P 4nw 2abw","96","1,4-bis(bis(PEt3)platinumiodide)benzene","","","- C30 H64 I2 P4 Pt2 -","- C30 H64 I2 P4 Pt2 -","- C120 H256 I8 P16 Pt8 -","4","0.5","","Gardinier, James R.; Clérac, Rodolphe; Gabbaï, François P.","Preparation, structural studies, and magnetic properties of coordination complexes of bimetallic arylplatinum compounds and pyridyl nitronyl nitroxide radicals","Journal of the Chemical Society, Dalton Transactions","2001","","23","3453","","10.1039/b104579m","","","0.71073","MoKα","","0.0316","0.031","","","0.0755","0.0759","","","","","","1.155","","","","has coordinates","243936","2020-10-21","18:00:00","" "7702650","13.772","0.003","14.307","0.003","36.198","0.007","90","","93.3","0.03","90","","7120","3","110","2","110","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C55 H102 F12 N6 O6 P6 Pt2 -","- C55 H102 F12 N6 O6 P6 Pt2 -","- C220 H408 F48 N24 O24 P24 Pt8 -","4","1","","Gardinier, James R.; Clérac, Rodolphe; Gabbaï, François P.","Preparation, structural studies, and magnetic properties of coordination complexes of bimetallic arylplatinum compounds and pyridyl nitronyl nitroxide radicals","Journal of the Chemical Society, Dalton Transactions","2001","","23","3453","","10.1039/b104579m","","","0.71073","MoKα","","0.0557","0.044","","","0.1055","0.1131","","","","","","1.099","","","","has coordinates,has disorder","243936","2020-10-21","18:00:00","" "7702651","11.634","0.002","23.791","0.005","14.159","0.003","90","","107.15","0.03","90","","3744.7","1.4","183","2","183","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C56 H100 Cl4 F12 N6 O4 P6 Pt2 -","- C56 H100 Cl4 F12 N6 O4 P6 Pt2 -","- C112 H200 Cl8 F24 N12 O8 P12 Pt4 -","2","0.5","","Gardinier, James R.; Clérac, Rodolphe; Gabbaï, François P.","Preparation, structural studies, and magnetic properties of coordination complexes of bimetallic arylplatinum compounds and pyridyl nitronyl nitroxide radicals","Journal of the Chemical Society, Dalton Transactions","2001","","23","3453","","10.1039/b104579m","","","0.71073","MoKα","","0.1177","0.0809","","","0.1513","0.16","","","","","","1.083","","","","has coordinates","243936","2020-10-21","18:00:00","" "7702654","9.9115","0.0002","16.1184","0.0003","19.2407","0.0005","90","","103.543","0.005","90","","2988.38","0.13","294","","294","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C24 H33 Cl2 N7 O8 Zn -","- C24 H30 Cl2 N7 O8 Zn -","- C96 H120 Cl8 N28 O32 Zn4 -","4","1","","Mohamadou, Aminou; Gérard, Christian","Synthesis and characterisation of zinc(ii) complexes of tripodal N7 ligands involving pyridine and amine or amide nitrogen donors. Crystal structure of a zinc(ii) complex","Journal of the Chemical Society, Dalton Transactions","2001","","22","3320","","10.1039/b104777a","","","0.71073","Mo-Kα","","0.085","0.047","","0.132","","0.07","","","2.485","","","1.27","","","","has coordinates","243939","2020-10-21","18:00:00","" "7702655","7.3724","0.0001","27.1686","0.0006","13.3039","0.0003","90","","100.696","0.005","90","","2618.44","0.1","294","","294","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H28 Cl N7 O7 -","- C24 H25 Cl N7 O7 -","- C96 H100 Cl4 N28 O28 -","4","1","","Mohamadou, Aminou; Gérard, Christian","Synthesis and characterisation of zinc(ii) complexes of tripodal N7 ligands involving pyridine and amine or amide nitrogen donors. Crystal structure of a zinc(ii) complex","Journal of the Chemical Society, Dalton Transactions","2001","","22","3320","","10.1039/b104777a","","","0.71073","Mo-Kα","","0.123","0.056","","0.203","","0.07","","","3.124","","","1.01","","","","has coordinates","243939","2020-10-21","18:00:00","" "7702667","8.799","0.002","9.907","0.002","13.853","0.003","98.37","0.03","101.74","0.03","102.62","0.03","1130.7","0.5","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C38 H46 Ag2 F12 N10 P2 -","- C19 H20 Ag F6 N5 P -","- C38 H40 Ag2 F12 N10 P2 -","2","1","","Liu, Hong-Ke; Hu, Jun; Wang, Tian-Wei; Yu, Xiao-Lan; Liu, Jun; Kang, Beisheng","Synthesis and crystal structures of silver(i), palladium(ii), zinc(ii) and cobalt(ii) complexes of the ditoptic ligand 1,3-bis(imidazol-1-ylmethyl)-2,4,6-trimethylbenzene","Journal of the Chemical Society, Dalton Transactions","2001","","23","3534","","10.1039/b104833n","","","0.71073","MoKα","","0.1057","0.0757","","0.2532","0.2062","","","","1.001","1.119","1.119","","","","","has coordinates","243941","2020-10-21","18:00:00","" "7702668","11.7708","0.0015","14.3618","0.0019","14.4184","0.0019","96.71","0.002","113.302","0.002","94.745","0.002","2201","0.5","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C71 H100 Cl4 N17.5 O8 Pd2 -","- C71 H80 Cl4 N17.5 O8 Pd2 -","- C71 H80 Cl4 N17.5 O8 Pd2 -","1","0.5","","Liu, Hong-Ke; Hu, Jun; Wang, Tian-Wei; Yu, Xiao-Lan; Liu, Jun; Kang, Beisheng","Synthesis and crystal structures of silver(i), palladium(ii), zinc(ii) and cobalt(ii) complexes of the ditoptic ligand 1,3-bis(imidazol-1-ylmethyl)-2,4,6-trimethylbenzene","Journal of the Chemical Society, Dalton Transactions","2001","","23","3534","","10.1039/b104833n","","","0.71073","MoKα","","0.1352","0.068","","","0.1791","0.203","","","","","","1.04","","","","has coordinates","243941","2020-10-21","18:00:00","" "7702669","11.96","0.002","12.15","0.002","15.71","0.003","90","","90","","90","","2282.9","0.7","293","2","293","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C21 H30 N4 O4 Zn -","- C42 H38 N8 O8 Zn2 -","- C84 H76 N16 O16 Zn4 -","2","0.25","","Liu, Hong-Ke; Hu, Jun; Wang, Tian-Wei; Yu, Xiao-Lan; Liu, Jun; Kang, Beisheng","Synthesis and crystal structures of silver(i), palladium(ii), zinc(ii) and cobalt(ii) complexes of the ditoptic ligand 1,3-bis(imidazol-1-ylmethyl)-2,4,6-trimethylbenzene","Journal of the Chemical Society, Dalton Transactions","2001","","23","3534","","10.1039/b104833n","","","0.71073","MoKα","","0.0941","0.0756","","","0.2518","0.277","","","","","","1.023","","","","has coordinates","243941","2020-10-21","18:00:00","" "7702670","11.43","0.002","11.79","0.002","11.82","0.002","84.9","0.03","87.8","0.03","65.8","0.03","1447.1","0.6","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C42 H58 Cl2 Co N10 O10 -","- C42 H50 Cl2 Co N10 O10 -","- C42 H50 Cl2 Co N10 O10 -","1","0.5","","Liu, Hong-Ke; Hu, Jun; Wang, Tian-Wei; Yu, Xiao-Lan; Liu, Jun; Kang, Beisheng","Synthesis and crystal structures of silver(i), palladium(ii), zinc(ii) and cobalt(ii) complexes of the ditoptic ligand 1,3-bis(imidazol-1-ylmethyl)-2,4,6-trimethylbenzene","Journal of the Chemical Society, Dalton Transactions","2001","","23","3534","","10.1039/b104833n","","","0.71073","MoKα","","0.1121","0.0832","","","0.251","0.2749","","","","","","1.013","","","","has coordinates,has disorder","243941","2020-10-21","18:00:00","" "7702671","12.306","0.001","16.143","0.002","12.149","0.001","90","","114.89","0.01","90","","2189.3","0.4","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","CuSal-N-Cyclopentyl","bis-{(cyclopentyl)[(2-oxo-1H-benzo-1-ylidene)methyl]-aminato}copper(II) (1)","","- C24 H28 Cu N2 O2 -","- C24 H28 Cu N2 O2 -","- C96 H112 Cu4 N8 O8 -","4","1","","Aguilar-Martínez, Martha; Saloma-Aguilar, Ricardo; Macías-Ruvalcaba, Norma; Cetina-Rosado, Raúl; Navarrete-Vázquez, Agustina; Gómez-Vidales, Virginia; Zentella-Dehesa, Arturo; Toscano, Rubén A.; Hernández-Ortega, Simón; Fernández-G., Juan M.","Synthesis, crystal structures, spectroscopic and electrochemical properties of homologous series of copper(II) complexes of Schiff bases derived from cycloalkylamines","Journal of the Chemical Society, Dalton Transactions","2001","","16","2346","","10.1039/b104892a","","","0.71073","MoKα","","0.1015","0.0571","","","0.1324","0.1652","","","","","","1.037","","","","has coordinates","243942","2020-10-21","18:00:00","" "7702672","19.543","0.002","10.067","0.002","12.624","0.002","90","","96.53","0.02","90","","2467.5","0.7","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","CuSal-N-Cycloheptyl","bis-{(cycloheptyl)[(2-oxo-1H-benzo-1-ylidene)methyl]-aminato}copper(II) (2)","","- C28 H36 A2 Cu N O -","- C28 H36 Cu N2 O2 -","- C112 H144 Cu4 N8 O8 -","4","1","","Aguilar-Martínez, Martha; Saloma-Aguilar, Ricardo; Macías-Ruvalcaba, Norma; Cetina-Rosado, Raúl; Navarrete-Vázquez, Agustina; Gómez-Vidales, Virginia; Zentella-Dehesa, Arturo; Toscano, Rubén A.; Hernández-Ortega, Simón; Fernández-G., Juan M.","Synthesis, crystal structures, spectroscopic and electrochemical properties of homologous series of copper(II) complexes of Schiff bases derived from cycloalkylamines","Journal of the Chemical Society, Dalton Transactions","2001","","16","2346","","10.1039/b104892a","","","0.71073","MoKα","","0.0738","0.0411","","0.0936","0.0846","","","","","","","0.874","","","","has coordinates","243942","2020-10-21","18:00:00","" "7702673","12.937","0.002","17.112","0.002","13.358","0.002","90","","109.84","0.01","90","","2781.6","0.7","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","CuSal-N-Cyclooctyl","bis-{(cyclooctyl)[(2-oxo-1H-benzo-1-ylidene)methyl]-aminato}copper(II) (3)","","- C30 H40 Cu N2 O2 -","- C30 H40 Cu N2 O2 -","- C120 H160 Cu4 N8 O8 -","4","1","","Aguilar-Martínez, Martha; Saloma-Aguilar, Ricardo; Macías-Ruvalcaba, Norma; Cetina-Rosado, Raúl; Navarrete-Vázquez, Agustina; Gómez-Vidales, Virginia; Zentella-Dehesa, Arturo; Toscano, Rubén A.; Hernández-Ortega, Simón; Fernández-G., Juan M.","Synthesis, crystal structures, spectroscopic and electrochemical properties of homologous series of copper(II) complexes of Schiff bases derived from cycloalkylamines","Journal of the Chemical Society, Dalton Transactions","2001","","16","2346","","10.1039/b104892a","","","0.71073","MoKα","","0.1516","0.0693","","","0.1714","0.2093","","","","","","0.849","","","","has coordinates,has disorder","243942","2020-10-21","18:00:00","" "7702674","12.316","0.002","20.085","0.004","10.531","0.002","90","","91.17","0.02","90","","2604.5","0.8","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Cu-1,2-N-Cyclopentyl","bis-{(cyclopentyl)[2-oxo-1H-naphth-1-ylidene)methyl]-aminato}copper(II) (4)","","- C32 H32 Cu N2 O2 -","- C32 H32 Cu N2 O2 -","- C128 H128 Cu4 N8 O8 -","4","1","","Aguilar-Martínez, Martha; Saloma-Aguilar, Ricardo; Macías-Ruvalcaba, Norma; Cetina-Rosado, Raúl; Navarrete-Vázquez, Agustina; Gómez-Vidales, Virginia; Zentella-Dehesa, Arturo; Toscano, Rubén A.; Hernández-Ortega, Simón; Fernández-G., Juan M.","Synthesis, crystal structures, spectroscopic and electrochemical properties of homologous series of copper(II) complexes of Schiff bases derived from cycloalkylamines","Journal of the Chemical Society, Dalton Transactions","2001","","16","2346","","10.1039/b104892a","","","0.71073","MoKα","","0.1387","0.0675","","","0.1438","0.1877","","","","","","1.022","","","","has coordinates","243942","2020-10-21","18:00:00","" "7702675","9.239","0.001","9.14","0.001","17.19","0.001","90","","96.037","0.006","90","","1443.5","0.2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Cu-1,2-N-Cycloheptyl","bis-{(cycloheptyl)[2-oxo-1H-naphth-1-ylidene)methyl]-aminato}copper(II) (5)","","- C36 H40 Cu N2 O2 -","- C36 H40 Cu N2 O2 -","- C72 H80 Cu2 N4 O4 -","2","0.5","","Aguilar-Martínez, Martha; Saloma-Aguilar, Ricardo; Macías-Ruvalcaba, Norma; Cetina-Rosado, Raúl; Navarrete-Vázquez, Agustina; Gómez-Vidales, Virginia; Zentella-Dehesa, Arturo; Toscano, Rubén A.; Hernández-Ortega, Simón; Fernández-G., Juan M.","Synthesis, crystal structures, spectroscopic and electrochemical properties of homologous series of copper(II) complexes of Schiff bases derived from cycloalkylamines","Journal of the Chemical Society, Dalton Transactions","2001","","16","2346","","10.1039/b104892a","","","0.71073","MoKα","","0.0648","0.0414","","","0.096","0.1075","","","","","","1.06","","","","has coordinates","243942","2020-10-21","18:00:00","" "7702676","13.739","0.004","14.054","0.003","17.212","0.003","93.26","0.02","101.15","0.03","98.57","0.04","3211.7","1.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","Cu-1,2-N-cyclooctyl","bis-{(cyclooctyl)[(2-oxo-1H-naphth-1-ylidene)methyl]-aminato}copper(II) (6)","","- C76 H88 Cu2 N4 O4 -","- C76 H88 Cu2 N4 O4 -","- C152 H176 Cu4 N8 O8 -","2","1","","Aguilar-Martínez, Martha; Saloma-Aguilar, Ricardo; Macías-Ruvalcaba, Norma; Cetina-Rosado, Raúl; Navarrete-Vázquez, Agustina; Gómez-Vidales, Virginia; Zentella-Dehesa, Arturo; Toscano, Rubén A.; Hernández-Ortega, Simón; Fernández-G., Juan M.","Synthesis, crystal structures, spectroscopic and electrochemical properties of homologous series of copper(II) complexes of Schiff bases derived from cycloalkylamines","Journal of the Chemical Society, Dalton Transactions","2001","","16","2346","","10.1039/b104892a","","","0.71073","MoKα","","0.1381","0.0554","","","0.1198","0.1446","","","","","","0.796","","","","has coordinates,has disorder","243942","2020-10-21","18:00:00","" "7702677","17.1449","0.0014","12.0556","0.0018","20.686","0.002","90","","114.01","0.08","90","","3906","3","173","2","173","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C21.5 H48 B10 Cl I Mo N4 -","- C21.5 H48 B10 Cl I Mo N4 -","- C86 H192 B40 Cl4 I4 Mo4 N16 -","4","1","","Du, Shaowu; Kautz, Jason A.; McGrath, Thomas D.; Stone, F. Gordon A.","Reactivity of the molybdenacarbaborane anion [2,2,2,2-(CO)4-closo-2,1-MoCB10H11]‒: metal oxidation versus cage substitution†","Journal of the Chemical Society, Dalton Transactions","2001","","19","2791","","10.1039/b105158j","","","0.71073","MoKα","","0.1053","0.0567","","","0.0874","0.0998","","","","","","1.07","","","","has coordinates","243943","2020-10-21","18:00:00","" "7702678","15.4517","0.0014","10.6686","0.0015","29.866","0.003","90","","97.233","0.014","90","","4884.2","1","293","2","293","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C44 H48 B10 I Mo N O4 P2 -","- C44 H48 B10 I Mo N O4 P2 -","- C176 H192 B40 I4 Mo4 N4 O16 P8 -","4","1","","Du, Shaowu; Kautz, Jason A.; McGrath, Thomas D.; Stone, F. Gordon A.","Reactivity of the molybdenacarbaborane anion [2,2,2,2-(CO)4-closo-2,1-MoCB10H11]‒: metal oxidation versus cage substitution†","Journal of the Chemical Society, Dalton Transactions","2001","","19","2791","","10.1039/b105158j","","","0.71073","MoKα","","0.0803","0.0499","","","0.0886","0.0997","","","","","","1.165","","","","has coordinates","243943","2020-10-21","18:00:00","" "7702679","14.071","0.002","10.9453","0.0016","16.439","0.003","90","","115.577","0.014","90","","2283.7","0.7","293","2","293","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C10 H21 B10 I Mo O3 S3 -","- C10 H21 B10 I Mo O3 S3 -","- C40 H84 B40 I4 Mo4 O12 S12 -","4","1","","Du, Shaowu; Kautz, Jason A.; McGrath, Thomas D.; Stone, F. Gordon A.","Reactivity of the molybdenacarbaborane anion [2,2,2,2-(CO)4-closo-2,1-MoCB10H11]‒: metal oxidation versus cage substitution†","Journal of the Chemical Society, Dalton Transactions","2001","","19","2791","","10.1039/b105158j","","","0.71073","MoKα","","0.0728","0.0476","","","0.09","0.0989","","","","","","1.108","","","","has coordinates","243943","2020-10-21","18:00:00","" "7702680","8.8257","0.0009","10.69","0.001","30.297","0.004","90","","95.612","0.01","90","","2844.7","0.5","173","2","173","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C13 H27 B10 Cl2 I Mo O3 S4 -","- C13 H27 B10 Cl2 I Mo O3 S4 -","- C52 H108 B40 Cl8 I4 Mo4 O12 S16 -","4","1","","Du, Shaowu; Kautz, Jason A.; McGrath, Thomas D.; Stone, F. Gordon A.","Reactivity of the molybdenacarbaborane anion [2,2,2,2-(CO)4-closo-2,1-MoCB10H11]‒: metal oxidation versus cage substitution†","Journal of the Chemical Society, Dalton Transactions","2001","","19","2791","","10.1039/b105158j","","","0.71073","MoKα","","0.1001","0.0526","","","0.0857","0.098","","","","","","1.089","","","","has coordinates","243943","2020-10-21","18:00:00","" "7702681","10.964","0.002","13.556","0.003","13.928","0.003","105.93","0.03","102.38","0.03","102.18","0.03","1862.3","0.9","173","2","173","2","","","","","","","","8","P -1","-P 1","2","","","","- C17.5 H36 B10 Cl3 I Mo O3 S6 -","- C17.502 H36 B10 Cl3 I Mo O3.002 S6 -","- C35.004 H72 B20 Cl6 I2 Mo2 O6.004 S12 -","2","1","","Du, Shaowu; Kautz, Jason A.; McGrath, Thomas D.; Stone, F. Gordon A.","Reactivity of the molybdenacarbaborane anion [2,2,2,2-(CO)4-closo-2,1-MoCB10H11]‒: metal oxidation versus cage substitution†","Journal of the Chemical Society, Dalton Transactions","2001","","19","2791","","10.1039/b105158j","","","0.71073","MoKα","","0.0688","0.0634","","","0.1614","0.1652","","","","","","1.196","","","","has coordinates,has disorder","243944","2020-10-21","18:00:00","" "7702682","16.475","0.003","16.546","0.003","17.215","0.003","90","","90","","90","","4692.7","1.5","150","2","293","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C21 H24 Cl3 N2 Tl -","- C21 H24 Cl3 N2 Tl -","- C168 H192 Cl24 N16 Tl8 -","8","2","","Cole, Marcus L.; Davies, Aaron J.; Jones, Cameron","Synthesis and characterisation of the first carbene‒thallium complexes: molecular structure of [TlCl3{CN(Mes)C2H2N(Mes)}], Mes = C6H2Me3-2,4,6†","Journal of the Chemical Society, Dalton Transactions","2001","","17","2451","","10.1039/b105322c","","","0.71073","MoKα","","0.0306","0.0224","","","0.0489","0.0505","","","","","","1.01","","","","has coordinates","243946","2020-10-21","18:00:00","" "7702686","10.2126","0.0008","9.6558","0.0005","22.902","0.002","90","","94.674","0.005","90","","2250.9","0.3","173","2","173","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C20.5 H17 B Mn N6 O3 Tl -","- C20.5 H17 B Mn N6 O3 Tl -","- C82 H68 B4 Mn4 N24 O12 Tl4 -","4","1","","Guo, ShengLi; Bats, Jan W.; Bolte, Michael; Wagner, Matthias","Tl(i) complexes of cymantrene-based tris(1-pyrazolyl)borates: polymers and macrocycles","Journal of the Chemical Society, Dalton Transactions","2001","","24","3572","","10.1039/b105692c","","","0.71073","MoKα","","0.0426","0.0322","","","0.0574","0.0603","","","","","","1.149","","","","has coordinates,has disorder","243951","2020-10-21","18:00:00","" "7702687","15.2801","0.001","15.2801","0.001","45.333","0.007","90","","90","","90","","10584.4","1.9","144","2","144","2","","","","","","","","7","I 41/a :2","-I 4ad","88","","","","- C25 H23 B Mn N6 O3 Tl -","- C25 H17 B Mn N6 O3 Tl -","- C400 H272 B16 Mn16 N96 O48 Tl16 -","16","1","","Guo, ShengLi; Bats, Jan W.; Bolte, Michael; Wagner, Matthias","Tl(i) complexes of cymantrene-based tris(1-pyrazolyl)borates: polymers and macrocycles","Journal of the Chemical Society, Dalton Transactions","2001","","24","3572","","10.1039/b105692c","","","0.71073","MoKα","","0.1703","0.0873","","","0.1997","0.2182","","","","","","1.825","","","","has coordinates,has disorder","243951","2020-10-21","18:00:00","" "7702721","17.917","0.003","16.457","0.003","29.134","0.004","90","","104.467","0.003","90","","8318","2","150","2","150","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C74 H94 B2 F8 N10 O16 Zn4 -","- C74 H86 B2 F8 N10 O16 Zn4 -","- C296 H344 B8 F32 N40 O64 Zn16 -","4","1","","Adams, Harry; Bradshaw, Darren; Fenton, David E.","A new carbonate bridged tetranuclear zinc(ii) complex of an asymmetric tetrapodal compartmental ligand","Journal of the Chemical Society, Dalton Transactions","2001","","23","3407","","10.1039/b108432c","","","0.71073","MoKα","","0.1561","0.0772","","","0.1954","0.2352","","","","","","0.977","","","","has coordinates,has disorder","243986","2020-10-21","18:00:00","" "7702757","13.5783","0.001","15.1526","0.0011","17.5303","0.0013","76.265","0.002","75.313","0.002","69.484","0.002","3223.4","0.4","160","2","160","2","","","","","","","","6","P -1","-P 1","2","","","","- C55 H95 K2 Li N6 O20 -","- C55 H95 K2 Li N6 O20 -","- C110 H190 K4 Li2 N12 O40 -","2","1","","Liddle, Stephen T.; Clegg, William","Formation of [M(15-crown-5)2]2[Li(NHPy)3] (M = K or Cs): the first structurally authenticated examples of a monomeric lithium species coordinated by three amide anions","Journal of the Chemical Society, Dalton Transactions","2001","","24","3549","","10.1039/b109903p","","","0.71073","MoKα","","0.1655","0.0899","","","0.2467","0.2941","","","","","","1.027","","","","has coordinates,has disorder","244004","2020-10-21","18:00:00","" "7702758","14.2706","0.0009","14.6824","0.0009","18.2599","0.0011","77.781","0.002","71.818","0.002","68.921","0.002","3370.3","0.4","220","2","220","2","","","","","","","","6","P -1","-P 1","2","","","","- C55 H95 Cs2 Li N6 O20 -","- C55 H95 Cs2 Li N6 O20 -","- C110 H190 Cs4 Li2 N12 O40 -","2","1","","Liddle, Stephen T.; Clegg, William","Formation of [M(15-crown-5)2]2[Li(NHPy)3] (M = K or Cs): the first structurally authenticated examples of a monomeric lithium species coordinated by three amide anions","Journal of the Chemical Society, Dalton Transactions","2001","","24","3549","","10.1039/b109903p","","","0.71073","MoKα","","0.1194","0.0651","","","0.182","0.2108","","","","","","0.884","","","","has coordinates","244004","2020-10-21","18:00:00","" "8000211","6.30245","","6.30245","","6.30245","","90","","90","","90","","250.339","","","","","","","","","","","","","3","F m -3 m","-F 4 2 3","225","","(Sn0.966 Mn0.034) Te","","- Mn0.034 Sn0.966 Te -","- Mn0.0341 Sn0.9659 Te -","- Mn0.1364 Sn3.8636 Te4 -","4","0.0208333","","Iwanowski, R.J.; Paszkowicz, W.; Lawniczak-Jablonska, K.; Heinonen, M.H.; Witkowska, B.; Feldhaus, J.","Mn - Te bond in the rocksalt Sn1-x Mnx Te alloys and octahedral radius of Mn : X-ray absorption- and diffraction study","Chemical Physics Letters","2001","336","","226","233","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "8100830","11.908","0.0009","11.9649","0.0009","30.1603","0.0002","90","","90","","90","","4296.6","0.6","295","","295","","","","","","","","","3","P b c a","","61","","","","- C27 H26 S -","- C27 H26 S -","- C216 H208 S8 -","8","1","","Rahmani, Hossein; Taeb, Abbas; Tadjarodi, Azadeh; Pirelahi, Hooshang","Crystal structure of 4-ethyl-3,5-dimethyl-2,4,6-triphenyl-4H-thiopyran, C~27~H~26~S and of 4-tert-butyl-3,5-dimethyl-2,4,6-triphenyl-4H-thiopyran, C~29~H~30~S","Zeitschrift für Kristallographie - New Crystal Structures","2001","216","1","47","50","","","","","","","","","","","","","","","","","","","","","","has coordinates","103177","2020-10-21","18:00:00","" "8100831","8.6745","0.0007","13.1767","0.001","20.4932","0.0007","90","","90.5367","0.0006","90","","2345.9","0.3","295","","295","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C29 H30 S -","- C29 H30 S -","- C116 H120 S4 -","4","1","","Rahmani, Hossein; Taeb, Abbas; Tadjarodi, Azadeh; Pirelahi, Hooshang","Crystal structure of 4-ethyl-3,5-dimethyl-2,4,6-triphenyl-4H-thiopyran, C~27~H~26~S and of 4-tert-butyl-3,5-dimethyl-2,4,6-triphenyl-4H-thiopyran, C~29~H~30~S","Zeitschrift für Kristallographie - New Crystal Structures","2001","216","1","47","50","","","","","","","","","","","","","","","","","","","","","","has coordinates","202018","2020-10-21","18:00:00","" "8100832","8.877","0.017","11.574","0.005","19.72","0.02","90","","90","","90","","2026","4","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C23 H27 N3 O2 -","- C23 H27 N3 O2 -","- C92 H108 N12 O8 -","4","1","","Eriksson, Lars; Wadsten, Tommy; Werner, Per-Erik","Crystal structure of (3aS-cis)-1,2,3,3a,8,8a-hexahydro-1,3a,8-trimethylpyrrolo [2,3-b]indol-5-yl 3,4-dihydro-2(1H)-isoquinolinecarboxylate, C~23~H~27~N~3~O~2~","Zeitschrift für Kristallographie - New Crystal Structures","2001","216","1","145","146","","","","","","","","","","","","","","","","","","","","","","has coordinates","202018","2020-10-21","18:00:00","" "8100833","8.804","0.003","11.005","0.004","21.222","0.008","90","","90","","90","","2056.2","1.3","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C25 H23 N O3 -","- C25 H23 N O3 -","- C100 H92 N4 O12 -","4","1","","Tinant, Bernard; Declercq, Jean-Paul; Cérésiat, Marcel; Marchand-Brynaert, Jacqueline","Crystal structure of (2S,7R)-N-benzhydryl-2-(1'-hydroxyethyl)-6-phenyl- 5,6-dehydromorpholin-3-one, C~25~H~23~NO~3~","Zeitschrift für Kristallographie - New Crystal Structures","2001","216","1","51","52","10.1524/ncrs.2001.216.14.51","","","","","","","","","","","","","","","","","","","","","has coordinates","256522","2020-10-21","18:00:00","" "8100834","18.153","0.006","9.754","0.003","13.682","0.005","90","","121.71","0.04","90","","2060.9","1.2","293","2","293","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C23 H27 N O3 -","- C23 H27 N O3 -","- C92 H108 N4 O12 -","4","1","","Tinant, Bernard; Declercq, Jean-Paul; Cérésiat, Marcel; Marchand-Brynaert, Jacqueline","Crystal structure of (6R,7S)-N-benzhydryl-6-hydroxy-7-methyl-2-tert- butyl-4,5,6,7-tetrahydro-4-aza-oxepin-5-one, C~23~H~27~NO~3~","Zeitschrift für Kristallographie - New Crystal Structures","2001","216","1","53","54","","","","","","","","","","","","","","","","","","","","","","has coordinates","202018","2020-10-21","18:00:00","" "8100835","13.8695","0.0002","5.4546","0.0001","20.1581","0.0004","90","","96.961","0.001","90","","1513.77","0.05","120","2","120","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C16 H18 O2 Se2 -","- C16 H18 O2 Se2 -","- C64 H72 O8 Se8 -","4","1","","Laitinen, Risto S.; Oilunkaniemi, Raija; Ahlgren, Markku","Crystal structure of bis(2-phenoxyethyl) diselenide, C~16~H~18~O~2~Se~2~","Zeitschrift für Kristallographie - New Crystal Structures","2001","216","1","55","56","","","","","","","","","","","","","","","","","","","","","","has coordinates","202018","2020-10-21","18:00:00","" "8100836","7.066","0.009","21.069","0.005","7.663","0.001","90","","93.69","0.01","90","","1138.5","0.3","293","2","293","2","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","8-chloro-10,10-dioxo-5H-pyrrolo[1,2-b][1,2,5]benzothiadiazepin-4-one","","- C11 H7 Cl N2 O3 S -","- C11 H7 Cl N2 O3 S -","- C44 H28 Cl4 N8 O12 S4 -","4","1","","Ettorre, Alessandro; Sivestri, Romano; Artico, Marino; Massa, Silvio; La Colla, Paolo","Crystal structure of 7-chloropyrrolo[1,2-b][1,2,5]benzothiadiazepin-10(11H)-one-5,5-dioxide, C~11~H~7~N~2~O~3~ClS","Zeitschrift für Kristallographie - New Crystal Structures","2001","216","1","57","58","10.1524/ncrs.2001.216.14.57","","","","","","","0.049","","","0.06","","","","","","","","","","","has coordinates","205817","2020-10-21","18:00:00","" "8100837","11.68","0.001","12.146","0.002","21.517","0.006","90","","90","","90","","3052","1","295","","295","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C5 H16 Cl6 N2 Te -","- C5 H16 Cl6 N2 Te -","- C20 H64 Cl24 N8 Te4 -","4","1","","Baldé, Lamine; Julien, René; Silvestre, Jean-Pierre; Jouan, Michel","Crystal structure of cadaverine (1,5-pentanediamine)hexachlorotellurate (IV), [C~5~N~2~H~16~][TeCl~6~]","Zeitschrift für Kristallographie - New Crystal Structures","2001","216","1","59","60","","","","","","","","0.0268","","","0.027","","","","","","","","","","","has coordinates","183086","2020-10-21","18:00:00","" "8100838","9.548","0.002","11.235","0.002","16.844","0.003","104.897","0.01","93.845","0.01","108.979","0.01","1628.6","0.6","296.2","","296.2","","","","","","","","","6","P -1","-P 1","2","","bis(2,2'-bipyridyl) bis(2-chloro-4-nitrophenolate) cadmium(II)","","- C32 H22 Cd Cl2 N6 O6 -","- C32 H22 Cd Cl2 N6 O6 -","- C64 H44 Cd2 Cl4 N12 O12 -","2","1","","Evans, Cara C.; Le Fur, Yvette; Masse, René","Crystal structure of bis(2,2'-bipyridyl)-bis(2-chloro-4-nitrophenolato)- cadmium(II), C~32~H~22~CdCl~2~N~6~O~6~","Zeitschrift für Kristallographie - New Crystal Structures","2001","216","1","61","62","","","","","","","","","","","","","","","","","","","","","","has coordinates","176466","2020-10-21","18:00:00","" "8100839","7.1141","0.0016","7.5721","0.001","9.3142","0.0016","92.183","0.013","111.815","0.016","107.638","0.015","437.39","0.17","291","1","291","2","","","","","","","","5","P -1","-P 1","2","","","","- C6 H3 Cs N2 O6 -","- C6 H3 Cs N2 O6 -","- C12 H6 Cs2 N4 O12 -","2","1","","Kolev, Tsonko; Kleb, Dirk Christian; Denitsa, Yancheva; Schürmann, Markus; Preut, Hans; Bleckmann, Paul","Crystal structure of cesium 4,6-dinitroresorcinolate, CsC~6~H~3~O~2~ (NO~3~)~2~","Zeitschrift für Kristallographie - New Crystal Structures","2001","216","1","63","64","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00","" "8100840","14.6707","0.0014","8.1155","0.0009","10.494","0.001","90","","90","","90","","1249.4","0.2","291","1","291","1","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C16 H9 N O4 -","- C16 H9 N O4 -","- C64 H36 N4 O16 -","4","1","","Kolev, Tsonko; Yancheva, Denitsa; Kleb, D.-Chr.; Schürmann, Markus; Preut, Hans; Bleckmann, Paul","Crystal structure of 4-benzoylpyridinium-1-squarate, C~16~H~9~NO~4~","Zeitschrift für Kristallographie - New Crystal Structures","2001","216","1","65","66","","","","","","","","","","","","","","","","","","","","","","has coordinates","202018","2020-10-21","18:00:00","" "8100841","13.271","0.001","17.354","0.002","13.778","0.001","90","","104.415","0.008","90","","3073.4","0.5","296.2","","296.2","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","Tetrakis(2-thiophenecarboxylato-O,O')-di-(triphenylphosphino-O)-di-copper(II) dichloromethane- solvate'","","","- C28.55 H22.11 Cl1.11 Cu O5 P S2 -","- C28.55 H22.1 Cl1.1 Cu O5 P S2 -","- C114.2 H88.4 Cl4.4 Cu4 O20 P4 S8 -","4","1","","Horn, E.; Kurosawa, K.; Tamura, H.; Nakahodo, T.","Crystal structure of tetrakis(2-thiophenecarboxylato-O,O')-di (triphenylphosphino-O)dicopper(II) dichloromethane solvate, [Cu(C~5~H~3~O~2~S)~2~(C~18~H~15~O~2~S)]~2~ · 1.1CH~2~Cl~2~","Zeitschrift für Kristallographie - New Crystal Structures","2001","216","1","77","79","10.1524/ncrs.2001.216.14.77","","","","","","","0.0685","","","0.0767","","","","","","","","","","","has coordinates","209540","2020-10-21","18:00:00","" "8100842","14.975","0.002","10.908","0.002","26.307","0.002","90","","94.387","0.008","90","","4284","1","296.2","","296.2","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","1,19(1,2,3)10,28(1,2)-tetrabenzena-3,6,9,11,14,17,21,24,27,29,32,35-dodecaoxa- 37,38-dithiabicyclo[17.17.2]hexatriacontaphan","","","- C44 H54 O12 S2 -","- C44 H54 O12 S2 -","- C176 H216 O48 S8 -","4","1","","Nabeshima, T.; Nishida, D.; Horn, E.","Crystal structure of 1,19(1,3,2),10,28(1,2)-tetrabenzena3,6,9,11,14, 17,21,24,27,29,32,35-dodecaoxa-37,38-dithiobicyclo [17.17.2]hexatriacontaphane, C~44~H~54~O~12~S~2~","Zeitschrift für Kristallographie - New Crystal Structures","2001","216","1","80","82","","","","","","","","0.0537","","","0.0503","","","","","","","","","","","has coordinates","176466","2020-10-21","18:00:00","" "8100843","13.95","0.002","16.005","0.004","7.678","0.001","90.01","0.02","112.8","0.01","90","0.02","1580.2","0.5","296.2","","296.2","","","","","","","","","7","C 1 2 1","C 2y","5","","","","- C9 H18 B F4 Mn N2 O4 -","- C9.01 H18 B F4 Mn N2 O4 -","- C36.04 H72 B4 F16 Mn4 N8 O16 -","4","1","","Horn, E.; Horiuchi, A.","Crystal structure of aquo-(N,N,N',N'-1,1,4,4-tetramethylethenediamine)- tricarbonyl-manganese(I) tetrafluoroborate, [(H~2~O)(CO)~3~(C~6~H~16~N~2~) Mn](BF~4~)","Zeitschrift für Kristallographie - New Crystal Structures","2001","216","1","73","76","","","","","","","","0.0485","","","0.046","","","","","","","","","","","has coordinates","176466","2020-10-21","18:00:00","" "8100844","13.077","0.004","5.476","0.002","16.137","0.002","90","","110.96","0.02","90","","1079","0.5","173","","173","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C26 H24 P2 -","- C26 H24 P2 -","- C52 H48 P4 -","2","0.5","","Tiekink, E. R. T.","The crystal structure of 1,2-bis(diphenylphosphino)ethane at 173 K, [Ph~2~PCH~2~CH~2~PPh~2~]","Zeitschrift für Kristallographie - New Crystal Structures","2001","216","1","69","70","","","","","","","","","","","","","","","","","","","","","","has coordinates","202018","2020-10-21","18:00:00","" "8100845","7.3302","0.0006","7.3884","0.0006","10.647","0.0009","92.707","0.001","91.985","0.002","119.1","0.001","502.18","0.07","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H20 Mn N2 O14 -","- C14 H20 Mn N2 O14 -","- C14 H20 Mn N2 O14 -","1","0.5","","Kristiansson, Olof","Crystal structure of bis(4-nitrobenzoate)tetraaquamanganese(II) dihydrate, [Mn(p-NO~2~C~6~H~4~COO)~2~(H~2~O)~4~] · 2H~2~O, and of bis(4-nitrobenzoate)tetraaquanickel(II) dihydrate, [Ni(p-NO~2~C~6~H~4~COO)~2~(H~2~O)~4~] · 2H~2~O","Zeitschrift für Kristallographie - New Crystal Structures","2001","216","1","86","88","","","","","","","","","","","","","","","","","","","","","","has coordinates","176728","2020-10-21","18:00:00","" "8100846","7.2279","0.0007","7.3401","0.0007","10.5996","0.001","91.114","0.002","92.357","0.002","119.14","0.001","490.25","0.08","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H20 N2 Ni O14 -","- C14 H20 N2 Ni O14 -","- C14 H20 N2 Ni O14 -","1","0.5","","Kristiansson, Olof","Crystal structure of bis(4-nitrobenzoate)tetraaquamanganese(II) dihydrate, [Mn(p-NO~2~C~6~H~4~COO)~2~(H~2~O)~4~] · 2H~2~O, and of bis(4-nitrobenzoate) tetraaquanickel(II) dihydrate, [Ni(p-NO~2~C~6~H~4~COO)~2~(H~2~O)~4~] · 2H~2~O","Zeitschrift für Kristallographie - New Crystal Structures","2001","216","1","86","88","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00","" "8100847","7.932","0.001","10.312","0.001","18.524","0.002","90","","90","","90","","1515.2","0.3","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H21 N O4 -","- C16 H21 N O4 -","- C64 H84 N4 O16 -","4","1","","Henkel, Sonja; Kleban, Martin; Jäger, Volker","Crystal structure of (3aS,4S,5R,6S,6aS)-1-benzyl-4,5,6-trihydroxy- 4,5-O-isopropylidene-3,3a,4,5,6,6a-hexahydro-1H-cyclopent[c]-isoxazole, C~16~H~21~NO~4~","Zeitschrift für Kristallographie - New Crystal Structures","2001","216","1","89","90","","","","","","","","0.0482","","","0.1281","","","","","","","","","","","has coordinates","202018","2020-10-21","18:00:00","" "8100848","9.854","0.003","13.353","0.003","14.949","0.003","90","","90","","90","","1967","0.8","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C19 H23 N O7 -","- C19 H23 N O7 -","- C76 H92 N4 O28 -","4","1","","Frey, Wolfgang; Hilgers, Petra; Kleban, Martin; Jäger, Volker","Crystal structure of (3aR,4R,5S,6S,6aR)-4,5,6-triacetoxy-1-benzyl- 3,3a,4,5,6,6a-hexahydro-1H-cyclopent[c]-isoxazole, C~19~H~23~NO~7~","Zeitschrift für Kristallographie - New Crystal Structures","2001","216","1","91","92","","","","","","","","0.0585","","","0.1193","","","","","","","","","","","has coordinates","176466","2020-10-21","18:00:00","" "8100849","9.5652","0.0011","7.5975","0.0011","12.4961","0.0014","90","","90.552","0.009","90","","908.1","0.2","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C18 H21 N O7 -","- C18 H21 N O7 -","- C36 H42 N2 O14 -","2","1","","Frey, Wolfgang; Hilgers, Petra; Jäger, Volker","Crystal structure of (3aS,4R,5S,6R,6aS)-4,5,6-triacetoxy-1-phenyl- 3,3a,4,5,6,6a-hexahydro-1H-cyclo-pent[c]-isoxazole, C~18~H~21~NO~7~","Zeitschrift für Kristallographie - New Crystal Structures","2001","216","1","93","94","","","","","","","","0.0376","","","0.0853","","","","","","","","","","","has coordinates","176728","2020-10-21","18:00:00","" "8100850","5.7551","0.0007","5.7518","0.0008","34.459","0.005","90","","90","","90","","1140.7","0.3","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C12 H15 N O4 -","- C12 H15 N O4 -","- C48 H60 N4 O16 -","4","1","","Frey, Wolfgang; Hilgers, Petra; Jäger, Volker","Crystal structure of (3aS,4R,5S,6R,6aS)-4,5,6-trihydroxy-1-phenyl- 3,3a,4,5,6,6a-hexahydro-1H-cycopent[c]-isoxazole, C~12~H~15~N~1~O~4~","Zeitschrift für Kristallographie - New Crystal Structures","2001","216","1","95","96","","","","","","","","0.0391","","","0.1041","","","","","","","","","","","has coordinates","202018","2020-10-21","18:00:00","" "8100851","12.652","0.003","18.983","0.004","9.102","0.003","97.26","0.02","107.38","0.02","102.22","0.02","1996.4","1","296.2","","296.2","","","","","","","","","6","P -1","-P 1","2","","","","- C84 H76 Cu2 N4 O20 P4 -","- C84 H76 Cu2 N4 O20 P4 -","- C84 H76 Cu2 N4 O20 P4 -","1","0.5","","Zhang, M.; Li, S.-L.; Horn, E.","Crystal structure of tetrakis-(μ~2~-3-(triphenylphosphonio) propionato-O,O')- dinitrato-dicopper(II) dinitrate, (C~84~H~76~Cu~2~N~2~O~14~P~4~)(NO~3~)~2~","Zeitschrift für Kristallographie - New Crystal Structures","2001","216","1","83","85","","","","","","","","0.052","","","0.061","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00","" "8100852","12.3078","0.0001","12.3078","0.0001","13.5109","0.0002","90","","90","","90","","2046.66","0.04","173","2","293","2","","","","","","","","6","P 41 2 2","P 4w 2c","91","","","","- C12 H22 F6 N2 O4 S2 -","- C12 H22 F6 N2 O4 S2 -","- C48 H88 F24 N8 O16 S8 -","4","0.5","","Zheng, Chong; Yao, Qingwei","Crystal structure of (R,R)-N,N'-bis(trifluoromethane-sulfonyl)-2,2, 5,5-tetramethyl-3,4-hexanediamine, C~12~H~22~F~6~N~2~O~4~S~2~","Zeitschrift für Kristallographie - New Crystal Structures","2001","216","1","99","100","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00","" "8100853","7.1014","0.0004","8.6896","0.0007","10.1265","0.0008","70.175","0.003","88.517","0.005","66.283","0.004","534.02","0.07","298","","","","","","","","","","","4","P -1","-P 1","2","","7-phenyl-1,4-diazepin-5-one monohydrate","","- C11 H14 N2 O2 -","- C11 H14 N2 O2 -","- C22 H28 N4 O4 -","2","1","","Chemmache, M.; Essassi, E.M.; Pierrot, M.","Crystal structure of 7-phenyl-1,4-diazepin-5-one monohydrate, C~11~H~12~N~2~O · H~2~O","Zeitschrift für Kristallographie - New Crystal Structures","2001","216","1","101","102","","","","","","","","","","","","","","","","","","","","","","has coordinates","202018","2020-10-21","18:00:00","" "8100854","6.279","0.002","9.308","0.003","10.219","0.003","90","","90","0.05","90","","597.2","0.3","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C8 H13 Br2 N O4 -","- C8 H13 Br2 N O4 -","- C16 H26 Br4 N2 O8 -","2","1","","Crisma, M.; Possenti, M.; Lazzari, D.; Soverini, M.; De Lucchi, O.","Crystal structure of 2α-(1,2-dibromoisopropyl)-5α-nitro- 5β-methyl-1,3-dioxane, C~8~H~13~NO~4~Br~2~","Zeitschrift für Kristallographie - New Crystal Structures","2001","216","1","103","104","","","","","","","","","","","","","","","","","","","","","","has coordinates","176728","2020-10-21","18:00:00","" "8100855","13.1","0.003","14.59","0.003","15.19","0.003","97.76","0.03","113.35","0.03","101.9","0.03","2531.1","0.9","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C28 H37 N3 O4 -","- C55 H70 N6 O7 -","- C110 H140 N12 O14 -","2","1","","Sander, J.; Huch, V.; Veith, M.; Hegetschweiler, K.","Crystal structure of 1,3,5-tris(benzylamino)-1,3,5-trideoxy-cis-inositol— methanol (2/1), (C~6~H~5~CH~2~NH)~3~C~6~H~9~(OH)~3~ · 0.5CH~3~OH","Zeitschrift für Kristallographie - New Crystal Structures","2001","216","1","105","107","","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","198678","2020-10-21","18:00:00","" "8100856","7.927","0.002","12.819","0.003","10.171","0.002","90","","98.24","0.03","90","","1022.9","0.4","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C4 H12 Cl2 N2 O8 -","- C4 H12 Cl2 N2 O8 -","- C16 H48 Cl8 N8 O32 -","4","1","","Kuppert, D.; Sander, J.; Hegetschweiler, K.","Crystal structure of rac-3-ammoniopyrrolidinium perchlorate, C~4~H~12~Cl~2~N~2~O~8~","Zeitschrift für Kristallographie - New Crystal Structures","2001","216","1","111","112","","","","","","","","","","","","","","","","","","","","","","has coordinates","176728","2020-10-21","18:00:00","" "8100857","8.109","0.002","10.052","0.002","10.287","0.002","99.92","0.03","97.65","0.03","101.81","0.03","796.1","0.3","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C20 H15 N3 O2 -","- C20 H15 N3 O2 -","- C40 H30 N6 O4 -","2","1","","Heinz, U.; Sander, J.; Hegetschweiler, K.","Crystal structure of 2-[5-(2-hydroxyphenyl)-1-phenyl-1H-1,2,4-triazol- 3-yl]phenol, C~20~H~15~N~3~O~2~","Zeitschrift für Kristallographie - New Crystal Structures","2001","216","1","113","114","","","","","","","","","","","","","","","","","","","","","","has coordinates","202018","2020-10-21","18:00:00","" "8100858","15.743","0.006","9.262","0.005","23.545","0.009","90","","105.133","0.008","90","","3314","3","243","2","243","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C27 H46 Co N3 O17 -","- C27 H46 Co N3 O17 -","- C108 H184 Co4 N12 O68 -","4","1","","Winter, W.; Sander, J.; Hegetschweiler, K.","Crystal structure of1,3,5-tris{[(E)-(2-hydroxyphenyl)- methylidene] amino}-1,3,5-trideoxy-cis-inositolato(3-)-cobalt(III) undecanehydrate, [Co(H~‒3~ thici)] · 11H~2~O","Zeitschrift für Kristallographie - New Crystal Structures","2001","216","1","108","110","","","","","","","","","","","","","","","","","","","","","","has coordinates","198678","2020-10-21","18:00:00","" "8100859","7.511","0.002","9.557","0.001","24.411","0.005","90","","90","","90","","1752.3","0.6","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C19 H32 O3 -","- C19 H32 O3 -","- C76 H128 O12 -","4","1","","Peters, E.-M.; Peters, K.; Michieletto, I.; Fabris, F.; De Lucchi, O.","Crystal structure of (2R,3S)-2exo-[1R-(2S-isopropyl-5R-methylcyclohexyloxy)]- 2endo,3exo-dihydroxymethyl-bicyclo[2.2.1]hept-5-ene, (CH~2 ~OH)~ 2~C~7~H~7~OC~6~H~9~(CH~3~)(C~3~H~7~)","Zeitschrift für Kristallographie - New Crystal Structures","2001","216","1","117","118","","","","","","","","","","","","","","","","","","","","","","has coordinates","202018","2020-10-21","18:00:00","" "8100860","19.52","0.001","11.3663","0.0006","12.171","0.0004","90","","113.952","0.003","90","","2467.8","0.2","123","","","","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C18 H45 B3 N6 -","- C18 H45 B3 N6 -","- C72 H180 B12 N24 -","4","1","","Toury, Berangere; Miele, Philippe; Cornu, David; Lecocq, Sylvain; Bonnetot, Bernard","Crystal structure of 2,4,6-tri(diisopropylamino)borazine, C~18~H~45~B~3~N~6~","Zeitschrift für Kristallographie - New Crystal Structures","2001","216","1","115","116","","","","","","","","","","","","","","","","","","","","","","has coordinates","202018","2020-10-21","18:00:00","" "8100861","13.227","0.005","5.083","0.001","22.472","0.007","90","","106.16","0.03","90","","1451.2","0.8","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C17 H17 N O3 -","- C17 H17 N O3 -","- C68 H68 N4 O12 -","4","1","","Peters, E.-M.; Peters, K.; Tasler, S.; Endress, H.; Bringmann, G.","Crystal structure of ethyl 1-methoxy-9-methyl-9H-carbazol-3-carboxylate, C~12~NH~6~(OCH~3~)(CH~3~)CO~2~(C~2~H~5~)","Zeitschrift für Kristallographie - New Crystal Structures","2001","216","1","119","120","","","","","","","","","","","","","","","","","","","","","","has coordinates","202018","2020-10-21","18:00:00","" "8100862","11.859","0.002","11.583","0.002","15.194","0.004","90","","102.84","0.02","90","","2034.9","0.7","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C26 H19 N O2 -","- C26 H19 N O2 -","- C104 H76 N4 O8 -","4","1","","Irngartinger, Hermann; Oeser, Thomas; Dábrowski, Janusz","Crystal structure of 3-(3-oxo-3-naphthyl-propenylamino)-1-naphthyl- prop-2-en-1-one, C~26~H~19~NO~2 ~and of 1-{(4,4-dimethyl)3-oxopent- 1-enylamino}-4,4-dimethyl-pent-1-en-3-one, C~14~H~23~NO~2~, two bisacylvinylamines with bifurcated hydrogen bonding","Zeitschrift für Kristallographie - New Crystal Structures","2001","216","1","126","128","","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","176728","2020-10-21","18:00:00","" "8100863","21.94","0.014","12.254","0.004","11.411","0.003","90","","90","","90","","3068","2","295","2","295","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C14 H23 N O2 -","- C14 H23 N O2 -","- C112 H184 N8 O16 -","8","1","","Irngartinger, Hermann; Oeser, Thomas; Dábrowski, Janusz","Crystal structure of 3-(3-oxo-3-naphthyl-propenylamino)-1-naphthyl- prop-2-en-1-one, C~26~H~19~NO~2 ~and of 1-{(4,4-dimethyl)3-oxopent- 1-enylamino}-4,4-dimethyl-pent-1-en-3-one, C~14~H~23~NO~2~, two bisacylvinylamines with bifurcated hydrogen bonding","Zeitschrift für Kristallographie - New Crystal Structures","2001","216","1","126","128","","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","130149","2020-10-21","18:00:00","" "8100864","10.011","0.004","10.2653","0.0016","17.139","0.008","72.32","0.02","80.76","0.05","81.11","0.03","1645.8","1","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C42 H47 N -","- C42 H47 N -","- C84 H94 N2 -","2","1","","Matos Beja, A.; Ramos Silva, M.; Paixão, J. A.; Alte da Veiga, L.; Sobral, A. J. F. N.; Rebanda, N. G. C. L.; Rocha Gonsalves, A. M. d'A.","Crystal structure of N-n-dodecyl-bis(anthrylmethyl)amine, C~42~H~47~N","Zeitschrift für Kristallographie - New Crystal Structures","2001","216","1","129","131","","","","","","","","","","","","","","","","","","","","","","has coordinates","202018","2020-10-21","18:00:00","" "8100865","11.131","0.001","7.964","0.001","14.845","0.002","90","","91.27","0.01","90","","1315.6","0.3","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C14 H20 B N -","- C14 H20 B N -","- C56 H80 B4 N4 -","4","1","","Peters, E.-M.; Peters, K.; Groetsch, S.; Christl, M.","Crystal structure of (1α,2β,8α)-2-methyl-8-phenyl- 2-azabicyclo[4.2.0]oct-5-ene(N-B)boran, (C~6~H~5~)C~7~H~9~N(CH~3~) (BH~3~)","Zeitschrift für Kristallographie - New Crystal Structures","2001","216","1","121","122","","","","","","","","","","","","","","","","","","","","","","has coordinates","200433","2020-10-21","18:00:00","" "8100866","8.366","0.002","8.832","0.003","9.41","0.003","101.75","0.02","100.83","0.02","105.18","0.02","635.2","0.3","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C24 H20 Cl2 Cu2 N4 Na2 O4 -","- C24 H20 Cl2 Cu2 N4 Na2 O4 -","- C24 H20 Cl2 Cu2 N4 Na2 O4 -","1","0.5","","Zheng, Y.-Q.; Lin, J.-L.; Sun, J.","Crystal structure of disodium di-μ-hydroxo-bis(chloro-1,10-phenanthroline- N,N'-copper(II)) dihydroxide, Na~2~[Cu~2~Cl~2~(Phen)~2~(OH)~2~](OH)~2~","Zeitschrift für Kristallographie - New Crystal Structures","2001","216","1","135","136","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00","" "8100867","7.065","0.002","12.272","0.003","20.242","0.005","90","","94.88","0.01","90","","1748.7","0.8","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C14 H18 Cl Cu N3 O5 -","- C14 H18 Cl Cu N3 O5 -","- C56 H72 Cl4 Cu4 N12 O20 -","4","1","","Zheng, Yue-Qing; Kong, Zu-Ping; Lin, Jian-Li; Zhou, Lin-Xia","Crystal structure of chloro(glycinato-N,O)(1,10-phenanthroline-N,N')- copper(II) trihydrate, [CuCl(C~2~H~4~NO~2~)(C~12~H~8~N~2~)] · 3H~2~O","Zeitschrift für Kristallographie - New Crystal Structures","2001","216","1","137","138","","","","","","","","","","","","","","","","","","","","","","has coordinates","176728","2020-10-21","18:00:00","" "8100868","17.167","0.003","10.022","0.002","6.468","0.0013","90","","107.88","0.03","90","","1059.1","0.4","293","2","293","2","","","","","","","","4","C 1 2/m 1","-C 2y","12","","","","- C8 H30 Co3 O20 -","- C8 H30 Co3 O20 -","- C16 H60 Co6 O40 -","2","0.25","","Zheng, Y.-Q.; Lin, J.-L.","Crystal structure of tricobalt dihydroxide disuccinate decahydrate, Co~3~(OH)~2~(C~4~H~4~O~4~)~2~ · 10H~2~O","Zeitschrift für Kristallographie - New Crystal Structures","2001","216","1","139","140","","","","","","","","","","","","","","","","","","","","","","has coordinates","176728","2020-10-21","18:00:00","" "8100869","9.767","0.001","16.724","0.002","27.337","0.003","90","","93.47","0.01","90","","4457.1","0.9","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C24 H36 N6 -","- C24 H36 N6 -","- C192 H288 N48 -","8","2","","Peters, E.-M.; Peters, K.; Librera, C. P.; Adam, W.","Crystal structure of (3aα,8aα,13aβ)-3a,4,8a,9,13a, 14-hexamethyl-1,2,3, 3a,6,7,8,8a,11,12,13,13a-tris(cyclopenta[4,5:4', 5':4'',5'']pyrazolo) [1,5-a:1',5'-c:1'',5''-e]triazine, C~24~H~36~N~6~","Zeitschrift für Kristallographie - New Crystal Structures","2001","216","1","123","125","","","","","","","","","","","","","","","","","","","","","","has coordinates","176728","2020-10-21","18:00:00","" "8100870","10.623","0.005","13.717","0.005","13.11","0.005","90","0.005","91.852","0.005","90","0.005","1909.3","1.3","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C8 H28 F10 N4 O3 Ti2 -","- C8 H28 F10 N4 O3 Ti2 -","- C32 H112 F40 N16 O12 Ti8 -","4","1","","Dadachov, M.S.; Tang, L.Q.; Zou, X.D.","Crystal structure of dipiperazine decafluorooxodititanate dihydrate, (C~4~H~12~N~2~)~2~[Ti~2~F~10~O] · 2H~2~O","Zeitschrift für Kristallographie - New Crystal Structures","2001","216","1","141","142","","","","","","","","","","","","","","","","","","","","","","has coordinates","176728","2020-10-21","18:00:00","" "8100871","7.559","0.001","19.943","0.002","12.99","0.002","90","","93.62","0.02","90","","1954.3","0.4","291","1","291","1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C22 H24 N2 O2 -","- C22 H24 N2 O2 -","- C88 H96 N8 O8 -","4","1","","Kolev, Tsonko; Yancheva, Denitsa; Kleb, D.-Chr.; Schürmann, Markus; Glavcheva, Zornitza; Preut, Hans; Bleckmann, Paul","Crystal structure of 2-{3-[2-(3-ethoxy-4-methoxy-phenyl)-vinyl]-5, 5-dimethyl-cyclohex-2-enylidene}-malononitrile, C~22~H~24~N~2~O~2~","Zeitschrift für Kristallographie - New Crystal Structures","2001","216","1","67","68","","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","176728","2020-10-21","18:00:00","" "8100872","14.857","0.003","16.266","0.003","17.769","0.003","90","","90","","90","","4294.1","1.4","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C16 H54 Mo7 N4 Na2 O31 -","- C16 H54 Mo7 N4 Na2 O31 -","- C64 H216 Mo28 N16 Na8 O124 -","4","1","","Klinga, Martti; Turpeinen, Urho; Hämäläinen, Reijo","Crystal structure of catena-poly[(dimethyl(2-hydroxyethyl)ammonium)- {sodium-μ-[aquatris(dimethyl(2-hydroxyethyl)ammonium)-sodiumheptamolybdato (VI)-O',O'',O''':O'''',O''''',O'''''']}diwater], {(C~4~H~12~NO)[(C~4~H~12~NO) ~3~(H~2~O)Na~2~Mo~7~O~24~] · 2H~2~O}~n~","Zeitschrift für Kristallographie - New Crystal Structures","2001","216","1","132","134","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00","" "8100873","10.008","0.0008","11.1636","0.0006","18.0294","0.0015","90","","106.091","0.009","90","","1935.4","0.2","193","2","193","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C26 H62 Cu2 Li2 N2 O4 Si2 -","- C26 H62 Cu2 Li2 N2 O4 Si2 -","- C52 H124 Cu4 Li4 N4 O8 Si4 -","2","0.5","","Bosold, Ferdinand; Marsch, Michael; Harms, Klaus; Boche, Gernot","Crystal structure of bis[bis(diethylether)lithium (trimethylsilyl)- methyl-cyanocuprate], [(C~4~H~10~O)~2~Li(C~3~H~9~)SiCH~2~CuCN]~2~","Zeitschrift für Kristallographie - New Crystal Structures","2001","216","1","143","144","","","","","","","","","","","","","","","","","","","","","","has coordinates","176728","2020-10-21","18:00:00","" "8100874","8.838","0.006","10.768","0.008","7.933","0.009","107.88","0.09","100.59","0.09","105.98","0.06","660","1","293","","293","","","","","","","","","6","P -1","-P 1","2","","","","- C18 H40 Cl2 Co N6 O12 -","- C4.5 H10 Cl0.25 Co0.25 N1.5 O2 -","- C18 H40 Cl Co N6 O8 -","4","2","","Horn, E.; Roy, T. G.; Hazari, S. K. S.; Dey, B. K.; Dey, L.; Tiekink, E. R. T.","Crystal structure of trans-dinitrito(3,10-C-meso-3,5,7,7,10,12,14, 14-octamethyl-1,4,8,11-tetraazacyclotetradecane)cobalt(III) perchlorate, [Co(Me~8~[14]ane)(NO~2~)~2~]ClO~4~","Zeitschrift für Kristallographie - New Crystal Structures","2001","216","1","71","72","","","","","","","","","","","","","","","","","","","","","","has coordinates","103177","2020-10-21","18:00:00","" "8100875","15.193","0.003","12.835","0.003","17.096","0.003","90","","114.29","0.03","90","","3038.6","1.1","200","2","200","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C34 H34 B F4 P2 Rh -","- C34 H34 B F4 P2 Rh -","- C136 H136 B4 F16 P8 Rh4 -","4","1","","Kempe, Rhett; Spannenberg, Anke; Heller, Detlef","Crystal structure of 1,3-bis(diphenylphosphino)-propane rhodium(I)- norborna-2,5-diene tetrafluoroborate, C~34~H~34~BF~4~P~2~Rh, and of 1,3-bis(diphenylphosphino)-propane rhodium(I)-(Z,Z)-cycloocta-1,5- diene tetrafluoroborate, C~35~H~38~BF~4~P~2~Rh","Zeitschrift für Kristallographie - New Crystal Structures","2001","216","1","153","156","","","","","","","","0.0329","","","0.0537","","","","","","","","","","","has coordinates","176728","2020-10-21","18:00:00","" "8100876","10.343","0.002","15.15","0.002","20.432","0.003","90","","99.76","0.02","90","","3155.3","0.9","200","2","200","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C35 H38 B F4 P2 Rh -","- C35 H38 B F4 P2 Rh -","- C140 H152 B4 F16 P8 Rh4 -","4","1","","Kempe, Rhett; Spannenberg, Anke; Heller, Detlef","Crystal structure of 1,3-bis(diphenylphosphino)-propane rhodium(I)- norborna-2,5-diene tetrafluoroborate, C~34~H~34~BF~4~P~2~Rh, and of 1,3-bis(diphenylphosphino)-propane rhodium(I)-(Z,Z)-cycloocta-1,5- diene tetrafluoroborate, C~35~H~38~BF~4~P~2~Rh","Zeitschrift für Kristallographie - New Crystal Structures","2001","216","1","153","156","","","","","","","","0.0349","","","0.0577","","","","","","","","","","","has coordinates","176728","2020-10-21","18:00:00","" "8100877","9.342","0.002","10.279","0.003","16.964","0.003","74.88","0.02","82.13","0.02","83.63","0.02","1553","0.6","200","2","200","2","","","","","","","","7","P -1","-P 1","2","","","","- C33 H32 B F4 O2 P2 Rh -","- C33 H32 B F4 O2 P2 Rh -","- C66 H64 B2 F8 O4 P4 Rh2 -","2","1","","Kempe, Rhett; Spannenberg, Anke; Heller, Detlef; Kadyrov, Renat; Fehring, Volker","Crystal structure of 1,2-bis(diphenylphosphinoxy)-ethane rhodium(I)- norborna-2,5-diene tetrafluoroborate, C~33~H~32~BF~4~O~2~P~2~Rh, and of 1,2-bis(diphenylphosphinoxy)-ethane rhodium(I)-(Z,Z)-cycloocta- 1,5-diene tetrafluoroborate, C~34~H~36~BF~4~O~2~P~2~Rh · C~4~H~8~O · 1/4CH~2~Cl~2~","Zeitschrift für Kristallographie - New Crystal Structures","2001","216","1","157","160","","","","","","","","0.0421","","","0.0951","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00","" "8100878","9.629","0.002","24.925","0.005","16.639","0.003","90","","92.31","0.03","90","","3990.2","1.4","200","2","200","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C38.25 H44.5 B Cl0.5 F4 O3 P2 Rh -","- C38.25 H36 B Cl0.5 F4 O3 P2 Rh -","- C153 H144 B4 Cl2 F16 O12 P8 Rh4 -","4","1","","Kempe, Rhett; Spannenberg, Anke; Heller, Detlef; Kadyrov, Renat; Fehring, Volker","Crystal structure of 1,2-bis(diphenylphosphinoxy)-ethane rhodium(I)- norborna-2,5-diene tetrafluoroborate, C~33~H~32~BF~4~O~2~P~2~Rh, and of 1,2-bis(diphenylphosphinoxy)-ethane rhodium(I)-(Z,Z)-cycloocta- 1,5-diene tetrafluoroborate, C~34~H~36~BF~4~O~2~P~2~Rh · C~4~H~8~O · 1/4CH~2~Cl~2~","Zeitschrift für Kristallographie - New Crystal Structures","2001","216","1","157","160","","","","","","","","0.0603","","","0.1695","","","","","","","","","","","has coordinates","176466","2020-10-21","18:00:00","" "8100879","19.225","0.004","10.487","0.002","17.636","0.004","90","","90","","90","","3555.6","1.3","293","2","293","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C35 H60 B F4 P2 Rh -","- C35 H60 B F4 P2 Rh -","- C140 H240 B4 F16 P8 Rh4 -","4","1","","Kempe, Rhett; Spannenberg, Anke; Heller, Detlef","Crystal structure of 1,4-bis(dicyclohexylphosphino)-butane rhodium (I)-norborna-2,5-diene tetrafluoroborate, C~35~H~60~BF~4~P~2~Rh, and of 1,4-bis(dicyclohexylphosphino)-butane rhodium(I)-(Z,Z)-cycloocta- 1,5-diene tetrafluoroborate, C~36~H~64~BF~4~P~2~Rh","Zeitschrift für Kristallographie - New Crystal Structures","2001","216","1","161","164","","","","","","","","0.054","","","0.0987","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00","" "8100880","19.737","0.004","10.058","0.002","20.706","0.004","90","","115.86","0.03","90","","3698.8","1.3","200","2","200","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C36 H64 B F4 P2 Rh -","- C36 H64 B F4 P2 Rh -","- C144 H256 B4 F16 P8 Rh4 -","4","1","","Kempe, Rhett; Spannenberg, Anke; Heller, Detlef","Crystal structure of 1,4-bis(dicyclohexylphosphino)-butane rhodium (I)-norborna-2,5-diene tetrafluoroborate, C~35~H~60~BF~4~P~2~Rh, and of 1,4-bis(dicyclohexylphosphino)-butane rhodium(I)-(Z,Z)-cycloocta- 1,5-diene tetrafluoroborate, C~36~H~64~BF~4~P~2~Rh","Zeitschrift für Kristallographie - New Crystal Structures","2001","216","1","161","164","","","","","","","","0.044","","","0.1124","","","","","","","","","","","has coordinates","176728","2020-10-21","18:00:00","" "8100881","18.829","0.004","10.142","0.002","17.411","0.003","90","","90","","90","","3324.9","1.1","200","2","200","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C33 H56 B F4 P2 Rh -","- C33 H56 B F4 P2 Rh -","- C132 H224 B4 F16 P8 Rh4 -","4","1","","Kempe, Rhett; Spannenberg, Anke; Drexler, Hans-Joachim; Heller, Detlef","Crystal structure of 1,2-bis(dicyclohexylphosphino)-ethane rhodium (I)-norborna-2,5-diene tetrafluoroborate, C~33~H~56~BF~4~P~2~Rh and of 1,2-bis(dicyclohexylphosphino)-ethane rhodium(I)-(Z,Z)-cycloocta- 1,5-diene tetrafluoroborate, C~34~H~60~BF~4~P~2~Rh · 1/2CH~3~OH","Zeitschrift für Kristallographie - New Crystal Structures","2001","216","1","165","168","","","","","","","","0.033","","","0.0836","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00","" "8100882","20.009","0.004","10.335","0.002","19.638","0.004","90","","114.51","0.03","90","","3695.1","1.3","200","2","200","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C34.5 H62 B F4 O0.5 P2 Rh -","- C34.5 H62 B F4 O0.5 P2 Rh -","- C138 H248 B4 F16 O2 P8 Rh4 -","4","1","","Kempe, Rhett; Spannenberg, Anke; Drexler, Hans-Joachim; Heller, Detlef","Crystal structure of 1,2-bis(dicyclohexylphosphino)-ethane rhodium (I)-norborna-2,5-diene tetrafluoroborate, C~33~H~56~BF~4~P~2~Rh and of 1,2-bis(dicyclohexylphosphino)-ethane rhodium(I)-(Z,Z)-cycloocta- 1,5-diene tetrafluoroborate, C~34~H~60~BF~4~P~2~Rh · 1/2CH~3~OH","Zeitschrift für Kristallographie - New Crystal Structures","2001","216","1","165","168","","","","","","","","0.0463","","","0.1129","","","","","","","","","","","has coordinates","198678","2020-10-21","18:00:00","" "8100883","12.159","0.002","10.661","0.002","14.813","0.002","90","","90","","90","","1920.1","0.6","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C7 H7 N3 O6 -","- C7 H7 N3 O6 -","- C56 H56 N24 O48 -","8","1","","Frey, Wolfgang; Kantlehner, Willi; Ziegler, Georg; Scherr, Oliver","Crystal structure of tris(diformylamino)methane, C~7~H~7~N~3~O~6~","Zeitschrift für Kristallographie - New Crystal Structures","2001","216","1","97","98","","","","","","","","0.0427","","","0.1068","","","","","","","","","","","has coordinates","202018","2020-10-21","18:00:00","" "8100884","14.094","0.009","21.592","0.012","13.66","0.007","107.52","0.04","101.97","0.05","80.8","0.05","3857","4","193","2","193","2","","","","","","","","8","P 1","P 1","1","","","","- C72 H86 Cl F12 Fe N2 O5 P4 -","- C72 H68 Cl F12 Fe N2 O5 P4 -","- C144 H136 Cl2 F24 Fe2 N4 O10 P8 -","2","2","","Pajunen, A.; Mutikainen, I.; Haikarainen, A.; Sipilä, J.","Crystal structure of chloro{2,2'-[(R,R)-cyclohexane-1,2-diylbis (nitrilomethylidyne)]-bis[6-tert-butyl-4-(triphenylphosphoniomethyl) phenolato]-O,N,N',O'}-iron(III) bis(hexafluorophosphate) tris(ethanol) solvate, [Fe(C~66~H~68~N~2~O~2~P~2~)Cl](PF~6~)~2~ · 3C~2~H~6~O","Zeitschrift für Kristallographie - New Crystal Structures","2001","216","1","147","150","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00","" "8100885","7.911","0.003","8.25","0.003","9.978","0.003","88.99","0.02","86.6","0.02","75.91","0.02","630.5","0.4","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C28 H32 N6 O2 -","- C28 H32 N6 O2 -","- C28 H32 N6 O2 -","1","0.5","","Uzoukwu, Bieluonwu A.; Gloe, Karsten; Duddeck, Helmut; Rademacher, Otto","Crystal structure of N,N'-ethylenbis(4-propanoyl-2,4-dihydro-5-methyl 2-phenyl-3H-pyrazol-3-oneimine), C~28~H~32~N~6~O~2~","Zeitschrift für Kristallographie - New Crystal Structures","2001","216","1","151","152","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00","" "8100886","14.496","0.002","13.338","0.002","14.722","0.002","90","","90","","90","","2846.3","0.5","296.2","","296.2","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C10 H18 Br N2 O3 Re -","- C10 H18 Br N2 O3 Re -","- C80 H144 Br8 N16 O24 Re8 -","8","1","","Horn, E.; Onai, S.","Crystal structure of aquo-(N,N,N',N'-1,1,4,4-tetramethylethenediamine)- tricarbonyl-manganese(I) tetrafluoroborate, [(H~2~O)(CO)~3~(C~6~H~16~N~2~)Mn](BF~4~)","Zeitschrift für Kristallographie - New Crystal Structures","2001","216","1","73","76","10.1524/ncrs.2001.216.14.73","","","","","","","0.0419","","","0.0504","","","","","","","","","","","has coordinates","209540","2020-10-21","18:00:00","" "8100887","13.01","0.003","15.264","0.003","13.136","0.003","90","","118.03","0.03","90","","2302.6","0.8","200","2","200","2","","","","","","","","8","P 1 21 1","P 2yb","4","","","","- C51 H55 B F4 N O2 P2 Rh -","- C51 H55 B F4 N O2 P2 Rh -","- C102 H110 B2 F8 N2 O4 P4 Rh2 -","2","1","","Drexler, H.-J.; Spannenberg, A.; Heller, D.","Crystal structure of (S)-2,3-O,N-bis(diphenylphosphino)-1-(naphthoxy)- 2-hydroxy-3-cyclohexylamino-propane rhodium(I)-(Z,Z)-cycloocta-1,5- diene tetrafluoroborate, C~51~H~55~BF~4~NO~2~P~2~Rh","Zeitschrift für Kristallographie - New Crystal Structures","2001","216","1","169","171","","","","","","","","","","","","","","","","","","","","","","has coordinates","176728","2020-10-21","18:00:00","" "8100888","4.8085","0.0007","5.3115","0.0007","5.6116","0.0008","65.307","0.006","76.451","0.006","63.859","0.007","116.68","0.03","293","2","293","2","","","","","","","","4","P 1","P 1","1","","","","- H3 Hg I O6 -","- H3 Hg I O6 -","- H3 Hg I O6 -","1","1","","Mormann, Thomas J.; Jeitschko, Wolfgang","Crystal structure of mercury(II) trihydrogenhexaoxoiodate(VII), HgH~3~IO~6~","Zeitschrift für Kristallographie - New Crystal Structures","2001","216","1","1","2","10.1524/ncrs.2001.216.14.1","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00","" "8100889","9.599","0.002","9.599","0.002","9.599","0.002","90","","90","","90","","884.5","0.3","293","2","293","2","","","","","","","","3","P a -3","-P 2ac 2ab 3","205","","","","- Li7 N4 V -","- Li14 N8 V2 -","- Li56 N32 V8 -","4","0.166667","","Niewa, Rainer; Kniep, Rüdiger","Redetermination of the crystal structure of heptalithium tetranitridovanadate(V), Li~7~[VN~4~]","Zeitschrift für Kristallographie - New Crystal Structures","2001","216","1","5","6","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00","" "8100890","9.52","0.004","9.52","0.004","15.438","0.006","90","","90","","120","","1211.7","0.9","293","2","293","2","","","","","","","","5","P 61","P 61","169","","","","- B Cu Li O11 P2 -","- B Cu Li O11 P2 -","- B6 Cu6 Li6 O66 P12 -","6","1","","Boy, I.; Kniep, R.","Crystal structure of lithium copper(II) monoaqua catena-[monoboro- diphosphate] dihydrate, LiCu(H~2~O)[BP~2~O~8~] · 2H~2~O","Zeitschrift für Kristallographie - New Crystal Structures","2001","216","1","7","8","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00","" "8100891","9.469","0.002","9.469","0.002","15.667","0.002","90","","90","","120","","1216.5","0.4","293","2","293","2","","","","","","","","5","P 61","P 61","169","","","","- B Li O11 P2 Zn -","- B Li O11 P2 Zn -","- B6 Li6 O66 P12 Zn6 -","6","1","","Boy, I.; Kniep, R.","Crystal structure of lithium zinc diaqua catena-[monoboro-diphosphate]- monohydrate, LiZn(H~2~O)~2~[BP~2~O~8~] · H~2~O","Zeitschrift für Kristallographie - New Crystal Structures","2001","216","1","9","10","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00","" "8100892","6.8917","0.0016","7.0432","0.0016","8.0687","0.0018","87.36","0.03","88.79","0.03","70.08","0.03","367.82","0.14","293","2","293","2","","","","","","","","4","P -1","-P 1","2","Caesium-nickel(II)silicate","","","- Cs6 Ni O8 Si2 -","- Cs6 Ni O8 Si2 -","- Cs6 Ni O8 Si2 -","1","0.5","","Hansing, J.; Amann, Peter; Möller, Angela","Crystal structure of caesium μ-oxonickel(II)bissilicate, Cs~6~ [NiSi~2~O~8~]","Zeitschrift für Kristallographie - New Crystal Structures","2001","216","1","17","17","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00","" "8100893","5.012","0.004","5.012","0.004","12.99","0.01","90","","90","","120","","282.7","","293","2","293","2","","","","","","","","2","R -3 c :H","-R 3 2""c","167","","","","- F3 Ga -","- F3 Ga -","- F18 Ga6 -","6","0.166667","","Roos, Meike; Meyer, Gerd","Refinement of the crystal structure of gallium trifluoride, GaF~3~","Zeitschrift für Kristallographie - New Crystal Structures","2001","216","1","18","18","","","","","","","","","","","","","","","","","","","","","","has coordinates","176728","2020-10-21","18:00:00","" "8100894","6.8683","0.0009","7.2737","0.0011","10.1668","0.0014","90","","90.789","0.016","90","","507.86","0.12","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- Cl6 Ho Na3 -","- Cl6 Ho Na3 -","- Cl12 Ho2 Na6 -","2","0.5","","Böcker, Marlies; Gerlitzki, Niels; Meyer, Gerd","Crystal structure of trisodium holmium(III) hexachloride, Na~3~HoCl~6~","Zeitschrift für Kristallographie - New Crystal Structures","2001","216","1","19","19","","","","","","","","","","","","","","","","","","","","","","has coordinates","176728","2020-10-21","18:00:00","" "8100895","6.081","0.0012","6.081","0.0012","4.8653","0.001","90","","90","","120","","155.81","0.05","293","2","293","2","","","","","","","","4","P -3 m 1","-P 3 2""","164","","","","- F6 H8 N2 Sn -","- F6 H18 N2 Sn -","- F6 H18 N2 Sn -","1","0.0833333","","Meyer, Gerd; Böhmer, Norbert","Refinement of the crystal structure of diammonium hexafluorostannate (IV), (NH~4~)~2~SnF~6~","Zeitschrift für Kristallographie - New Crystal Structures","2001","216","1","20","20","","","","","","","","","","","","","","","","","","","","","","has coordinates","176466","2020-10-21","18:00:00","" "8100896","4.413","0.001","13.887","0.002","8.83","0.001","90","","90","","90","","541.1","0.2","293","2","293","2","","","","","","","","3","P m m n :2","-P 2ab 2a","59","","","","- Cu2 Sn5 Yb4 -","- Cu2 Sn5 Yb4 -","- Cu4 Sn10 Yb8 -","2","0.25","","Fornasini, Maria L.; Zanicchi, Gilda; Mazzone, Donata; Riani, Paola","Crystal structure of ytterbium copper stannide, Yb~4~Cu~2~Sn~5~","Zeitschrift für Kristallographie - New Crystal Structures","2001","216","1","21","22","","","","","","","","0.0322","","","0.0625","","","","","","","","","","","has coordinates","176728","2020-10-21","18:00:00","" "8100897","15.081","0.002","15.081","0.002","15.081","0.002","90","","90","","90","","3430","0.8","293","2","293","2","","","","","","","","3","P -4 3 n","P -4n 2 3","218","","","","- Cs4 Si Te4 -","- Cs4 Si Te4 -","- Cs32 Si8 Te32 -","8","0.333333","","Schlirf, Jens; Deiseroth, Hans Jörg","Crystal structure of cesium ortho-tellurosilicate, Cs~4~SiTe~4~","Zeitschrift für Kristallographie - New Crystal Structures","2001","216","1","25","26","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00","" "8100898","16.28","0.003","13.528","0.003","9.621","0.002","90","","96.7","0.03","90","","2104.4","0.7","293","2","293","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- Cs6 Ge2 Se6 -","- Cs6 Ge2 Se6 -","- Cs24 Ge8 Se24 -","4","0.5","","Schlirf, Jens; Deiseroth, Hans Jörg","Crystal structure of hexacesium hexaselenido-digermanate(III), Cs~6~Ge~2~Se~6~","Zeitschrift für Kristallographie - New Crystal Structures","2001","216","1","27","28","","","","","","","","","","","","","","","","","","","","","","has coordinates","176728","2020-10-21","18:00:00","" "8100899","9.377","0.001","9.377","0.001","15.848","0.001","90","","90","","120","","1206.8","0.2","293","2","293","2","","","","","","","","5","P 61 2 2","P 61 2 (0 0 5)","178","","","","- B Na Ni O11 P2 -","- B Na Ni O11 P2 -","- B6 Na6 Ni6 O66 P12 -","6","0.5","","Boy, Insan; Schäfer, Gerd; Kniep, Rüdiger","Crystal structure of sodium nickel diaqua catena-[monoboro-diphosphate] monohydrate, NaNi(H~2~O)~2~[BP~2~O~8~] · H~2~O, at 293 K and 198 K","Zeitschrift für Kristallographie - New Crystal Structures","2001","216","1","11","12","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00","" "8100900","9.3578","0.001","9.3578","0.001","15.8325","0.001","90","","90","","120","","1200.7","0.2","198","2","198","2","","","","","","","","5","P 61 2 2","P 61 2 (0 0 5)","178","","","","- B Na Ni O11 P2 -","- B Na Ni O11 P2 -","- B6 Na6 Ni6 O66 P12 -","6","0.5","","Boy, Insan; Schäfer, Gerd; Kniep, Rüdiger","Crystal structure of sodium nickel diaqua catena-[monoboro-diphosphate] monohydrate, NaNi(H~2~O)~2~[BP~2~O~8~] · H~2~O, at 293 K and 198 K","Zeitschrift für Kristallographie - New Crystal Structures","2001","216","1","11","12","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00","" "8100901","9.467","0.002","9.467","0.002","15.861","0.002","90","","90","","120","","1231.1","0.4","293","2","293","2","","","","","","","","5","P 61 2 2","P 61 2 (0 0 5)","178","","","","- B Fe Na O11 P2 -","- B Fe Na O11 P2 -","- B6 Fe6 Na6 O66 P12 -","6","0.5","","Boy, Insan; Schäfer, Gerd; Kniep, Rüdiger","Crystal structure of sodium iron(II) diaqua catena-[monoboro-diphosphate] monohydrate, NaFe(H~2~O)~2~[BP~2~O~8~] · H~2~O, and of potassium iron(II) diaqua catena-[monoboro-diphosphate] hemihydrate, KFe(H~2~O) ~2~[BP~2~O~8~] · 0.5H~2~O","Zeitschrift für Kristallographie - New Crystal Structures","2001","216","1","13","14","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00","" "8100902","9.523","0.001","9.523","0.001","15.998","0.001","90","","90","","120","","1256.4","0.2","293","2","293","2","","","","","","","","5","P 61 2 2","P 61 2 (0 0 5)","178","","","","- B Fe K O11 P2 -","- B Fe K O10.5 P2 -","- B6 Fe6 K6 O63 P12 -","6","0.5","","Boy, Insan; Schäfer, Gerd; Kniep, Rüdiger","Crystal structure of sodium iron(II) diaqua catena-[monoboro-diphosphate] monohydrate, NaFe(H~2~O)~2~[BP~2~O~8~] · H~2~O, and of potassium iron(II) diaqua catena-[monoboro-diphosphate] hemihydrate, KFe(H~2~O) ~2~[BP~2~O~8~] · 0.5H~2~O","Zeitschrift für Kristallographie - New Crystal Structures","2001","216","1","13","14","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00","" "8100903","5.1765","0.0009","4.3565","0.0012","9.4307","0.0015","90","","101.555","0.014","90","","208.37","0.08","293","2","293","2","","","","","","","","2","P 1 21/m 1","-P 2yb","11","","","","- Ba Sb2 -","- Ba Sb2 -","- Ba2 Sb4 -","2","0.5","","Eisenmann, Brigitte; Gieck, Christine; Rößler, Ute","Crystal structure of barium diantimonide, BaSb~2~","Zeitschrift für Kristallographie - New Crystal Structures","2001","216","1","36","36","","","","","","","","","","","","","","","","","","","","","","has coordinates","176728","2020-10-21","18:00:00","" "8100904","11.425","0.002","16.244","0.003","5.487","0.002","90","","90","","90","","1018.3","0.5","293","2","293","2","","","","","","","","3","A b m 2","A 2 -2b","39","","","","- Bi2 O5 Se -","- Bi2 O5 Se -","- Bi16 O40 Se8 -","8","","","Rademacher, O.; Göbel, H.; Ruck, M.; Oppermann, H.","Crystal structure of dibismuth selenium pentoxide, Bi~2~SeO~5~","Zeitschrift für Kristallographie - New Crystal Structures","2001","216","1","29","30","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00","" "8100905","14.4557","0.0016","5.8975","0.0006","4.9371","0.0005","90","","90","","90","","420.9","0.08","293","2","293","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- Hg O6 V2 -","- Hg O6 V2 -","- Hg4 O24 V8 -","4","0.5","","Mormann, Thomas J.; Jeitschko, Wolfgang","Redetermination of the crystal structure of high-temperature modification of the mercury(II) hexaoxodivanadate(V), β-HgV~2~O~6~","Zeitschrift für Kristallographie - New Crystal Structures","2001","216","1","3","4","","","","","","","","","","","","","","","","","","","","","","has coordinates","176466","2020-10-21","18:00:00","" "8100906","7.2339","0.0006","9.7966","0.0006","5.9233","0.0005","90","","71.483","0.008","90","","398.04","0.05","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Sodium scandium borate","","","- B2 Na O5 Sc -","- B2 Na O5 Sc -","- B8 Na4 O20 Sc4 -","4","1","","Petra, Becker; Peter, Held","Crystal structure of sodium scandium borate, NaScB~2~O~5~","Zeitschrift für Kristallographie - New Crystal Structures","2001","216","1","35","35","","","","","","","","","","","","","","","","","","","","","","has coordinates","176466","2020-10-21","18:00:00","" "8100907","10.408","0.003","8.094","0.002","9.099","0.002","90","","116.64","0.02","90","","685.1","0.3","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","NaGaH^3(BP^2O^10)","","","- B4 Ga4 H12 Na4 O40 P8 -","- B Ga H3 Na O10 P2 -","- B4 Ga4 H12 Na4 O40 P8 -","4","0.5","","Huang, Ya-Xi; Mao, Shao-Yu; Mi, Jin-Xiao; Wei, Zan-Bin; Zhao, Jing-Tai; Kniep, Rüdiger","Crystal structure of sodium gallium [monohydrogenmonophosphatedihydrogenmonoborate-monophosphate], NaGa[BP~2~O~7~(OH)~3~]","Zeitschrift für Kristallographie - New Crystal Structures","2001","216","1","15","16","10.1524/ncrs.2001.216.14.15","","","","","","","","","","","","","","","","","","","","","has coordinates","209540","2020-10-21","18:00:00","" "8100908","7.3984","0.0003","7.3984","0.0003","7.5594","0.0002","90","","90","","120","","358.3","0","","","293","2","","","","","","","","4","P 63/m c m","-P_6c_2","193","Tungsten bronze","","","- Nb0.134 O3 Rb0.31 W0.864 -","- Nb0.13 O3 Rb0.31 W0.87 -","- Nb0.78 O18 Rb1.86 W5.22 -","6","0.25","","Gesing, Thorsten M.; Rüscher, Claus H.; Hussain, Altaf","Crystal structure of rubidium niobium tungsten bronzes, Rb~x~Nb~y~W~1‒y~O~3~ (x ≈ 0.3; y = 0.13, 0.19)","Zeitschrift für Kristallographie - New Crystal Structures","2001","216","1","37","38","","","","","","","","0.005","","","","","","","","","","","","","","has coordinates","176466","2020-10-21","18:00:00","" "8100909","7.3887","0.0016","7.3887","0.0016","7.5615","0.0012","90","","90","","120","","357.5","0.1","","","293","2","","","","","","","","4","P 63/m c m","-P_6c_2","193","","","","- Nb0.19 O3 Rb0.3 W0.81 -","- Nb0.19 O3 Rb0.296667 W0.81 -","- Nb1.14 O18 Rb1.78 W4.86 -","6","0.25","","Gesing, Thorsten M.; Rüscher, Claus H.; Hussain, Altaf","Crystal structure of rubidium niobium tungsten bronzes, Rb~x~Nb~y~W~1‒y~O~3~ (x ≈ 0.3; y = 0.13, 0.19)","Zeitschrift für Kristallographie - New Crystal Structures","2001","216","1","37","38","","","","","","","","0.017","","","","","","","","","","","","","","has coordinates","176466","2020-10-21","18:00:00","" "8100910","12.863","0.008","7.422","0.009","14.782","0.01","90","","125.02","0.05","90","","1155.7","1.8","293","2","293","2","","","","","","","","3","C 1 c 1","C -2yc","9","","","","- Cd4 Ge Se6 -","- Cd4 Ge Se6 -","- Cd16 Ge4 Se24 -","4","1","","Hesse, K.-F.; Czank, M.; Nemcsics, A.","Crystal structure of cadmium germanium selenide, Cd~4~GeSe~6~","Zeitschrift für Kristallographie - New Crystal Structures","2001","216","1","39","40","10.1524/ncrs.2001.216.14.39","","","","","","","0.0634","","","0.1705","","","","","","","","","","","has coordinates","209540","2020-10-21","18:00:00","" "8100911","6.216","0.001","8.671","0.001","6.788","0.001","90","","99.09","0.01","90","","361.27","0.09","293","2","293","2","","","","","","","","4","P 1 21/m 1","-P 2yb","11","Trisodium gallium borate","","","- B4 Ga Na3 O9 -","- B4 Ga Na3 O9 -","- B8 Ga2 Na6 O18 -","2","0.5","","Becker, P.; Fröhlich, R.","Crystal structure of trisodium gallium borate, Na~3~GaB~4~O~9~, a new anhydrous borate structure type","Zeitschrift für Kristallographie - New Crystal Structures","2001","216","1","31","32","","","","","","","","","","","","","","","","","","","","","","has coordinates","176728","2020-10-21","18:00:00","" "8100912","12.7904","0.0006","11.605","0.0004","7.9968","0.0004","90","","90","","90","","1186.99","0.09","293","2","293","2","","","","","","","","5","P n a 21","P 2c -2n","33","Potassium samarium nitrate hydrate","","","- H4 K N4 O14 Sm -","- H4 K N4 O14 Sm -","- H16 K4 N16 O56 Sm4 -","4","1","","Held, P.; Bohatý, L.","Crystal structure of potassium samarium nitrate hydrate, K[Sm(NO~3~) ~4~(H~2~O)~2~]","Zeitschrift für Kristallographie - New Crystal Structures","2001","216","1","33","34","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00","" "8100913","12.952","","12.952","","12.952","","90","","90","","90","","2172.75","","293","","","","","","","","","","","3","P n -3 :2","-P 2ab 2bc 3","201","","","","- Cl14 Mo6 Sn -","- Cl14 Mo6 Sn -","- Cl56 Mo24 Sn4 -","4","0.166667","","Flemström, A; Lidin, S","Crystal structure of tin octa-μ-chloro-hexachloro-octahedro- molybdate(II), Sn[(Mo~6~Cl~8~)Cl~6~)]","Zeitschrift für Kristallographie - New Crystal Structures","2001","216","1","41","41","","","","","","","","","","","","","","","","","","","","","","has coordinates","189240","2020-10-21","18:00:00","" "8100914","8.038","0.001","8.038","0.001","3.8254","0.0004","90","","90","","90","","247.16","0.05","293","2","293","2","","","","","","","","3","P 4/m b m","-P 4 2ab","127","","","","- Au2 Ca2 Pb -","- Au2 Ca2 Pb -","- Au4 Ca4 Pb2 -","2","0.125","","Fornasini, Maria L.; Merlo, Franco; Pani, Marcella","Crystal structure of calcium gold plumbide (2/2/1), Ca~2~Au~2~Pb","Zeitschrift für Kristallographie - New Crystal Structures","2001","216","1","23","23","","","","","","","","0.0251","","","0.0538","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00","" "8100915","8.037","0.002","8.037","0.002","7.465","0.002","90","","90","","90","","482.2","0.2","293","2","293","2","","","","","","","","3","P 42/m n m","-P 4n 2n","136","","","","- Au2 Pb Yb2 -","- Au2 Pb Yb2 -","- Au8 Pb4 Yb8 -","4","0.25","","Fornasini, Maria L.; Merlo, Franco; Pani, Marcella","Crystal structure of ytterbium gold plumbide (2/2/1), Yb~2~Au~2~Pb","Zeitschrift für Kristallographie - New Crystal Structures","2001","216","1","24","24","","","","","","","","0.0363","","","0.0691","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00","" "8100916","8.626","0.002","5.86","0.001","10.759","0.002","90","","90","","90","","543.85","0.19","293","2","293","2","","","","","","","","3","P n m a","-P 2ac 2n","62","dicaesium hydrogenphosphide","","","- Cs2 H P -","- Cs2 P -","- Cs8 P4 -","4","0.5","","Somer, Mehmet; Carrillo-Cabrera, Wilder; Grin, Yuri; Peters, Karl; von Schnering, Hans Georg","Crystal structure of dicaesium hydrogenphosphide, Cs~2~[PH]","Zeitschrift für Kristallographie - New Crystal Structures","2001","216","1","42","42","","","","","","","","","","","","","","","","","","","","","","has coordinates","190384","2020-10-21","18:00:00","" "8100917","7.624","0.001","7.624","0.001","7.624","0.001","90","","90","","90","","443.15","0.1","293","2","293","2","","","","","","","","3","P m -3 m","-P 4 2 3","221","trieuropium bis(dinitridoborate)","","","- B2 Eu3 N4 -","- B2 Eu2.99967 N4 -","- B6 Eu8.999 N12 -","3","0.0625","","Carrillo-Cabrera, Wilder; Somer, Mehmet; Peters, Karl; von Schnering, Hans Georg","Crystal structure of trieuropium bis(dinitridoborate), Eu~3~[BN~2~] ~2~","Zeitschrift für Kristallographie - New Crystal Structures","2001","216","1","43","44","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00","" "8100918","5.6829","0.0002","8.0375","0.0003","10.0488","0.0004","90","","90","","90","","458.99","0.03","293","2","293","2","","","","","","","","3","I m a m","-I 2c 2","74","","","","- C B13 Sc -","- C1.1 B12.9 Sc0.964 -","- C4.4 B51.6 Sc3.856 -","4","0.25","","Leithe-Jasper, A.; Sato, A.; Tanaka, T.","Crystal structure of scandium borocarbide, ScB~13~C","Zeitschrift für Kristallographie - New Crystal Structures","2001","216","1","45","46","10.1524/ncrs.2001.216.14.45","","","","","","","","","","","","","","","","","","","","","has coordinates","288271","2023-12-12","22:25:27","" "8100919","17.732","0.002","17.9054","0.0016","20.6992","0.0019","90","","94.111","0.009","90","","6555","1.1","568","2","293","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C28 H64 Cd4 N24 O24 S12 -","- C28 H64 Cd4 N24 O24 S12 -","- C112 H256 Cd16 N96 O96 S48 -","4","1","","Zhou, Mei; Yu, Wen Tao; Xu, Dong; Lu, Meng Kai; Yuan, Duo Rong; Wang, Xin Qiang; Gou, Shi Yi; Meng, Fan Qing","Crystal structure of (DL)-trithioureatartrato-O^1^,O^2^,O^3^-cadmium, C~28~H~64~Cd~4~N~24~O~24~S~12~","Zeitschrift für Kristallographie - New Crystal Structures","2001","216","2","201","204","","","","","","","","","","","","","","","","","","","","","","has coordinates","176728","2020-10-21","18:00:00","" "8100920","7.3859","0.0001","8.1723","0.0001","11.2039","0.0001","72.926","0.001","72.051","0.001","66.84","0.001","579.9","0.012","183","2","183","2","","","","","","","","4","P -1","-P 1","2","Vanadyl acetylacetonate","","","- C10 H14 O5 V -","- C10 H14 O5 V -","- C20 H28 O10 V2 -","2","1","","Mahmoudkhani, Amir H.; Casari, Barbara; Langer, Vratislav","Refinement of the crystal structure of bis(2,4-pentanedionato-O,O')- oxovanadium(IV) at 183 K, VO(C~5~H~7~O~2~)~2~","Zeitschrift für Kristallographie - New Crystal Structures","2001","216","2","205","206","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00","" "8100921","21.6973","0.0013","14.0228","0.0013","17.791","0.001","90","","90.667","0.007","90","","5412.7","0.7","199","2","199","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C36 H83 Ga O10 S3 Si3 -","- C36 H83 Ga O10 S3 Si3 -","- C144 H332 Ga4 O40 S12 Si12 -","4","1","","Chojnacki, Jaroslaw; Schnepf, Andreas; Wojnowski, Wieslaw","Crystal structure of tris(tri-tert-butoxysilanethiolato)-(aqua)gallium (III), [(t-BuO)~3~SiS]~3~Ga · H~2~O","Zeitschrift für Kristallographie - New Crystal Structures","2001","216","2","198","200","","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","176728","2020-10-21","18:00:00","" "8100922","15.312","0.002","15.312","0.002","5.8555","0.0012","90","","90","","90","","1372.8","0.4","293","2","293","2","","","","","","","","5","P 42 n m","P 4n -2n","102","","","","- C12 H32 As4 N2 S6 -","- C12 H32 As4 N2 S6 -","- C24 H64 As8 N4 S12 -","2","0.25","","Blachnik, Roger; Fehlker, Andreas","Crystal structure of bis-dipropylammonium hexathiotetraarsenate, [(C~3~H~7~)~2~NH~2~]~2~[As~4~S~6~]","Zeitschrift für Kristallographie - New Crystal Structures","2001","216","2","213","214","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00","" "8100923","10.673","0.002","14.282","0.003","17.642","0.004","67.09","0.03","86.46","0.03","79.98","0.03","2439.3","0.8","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C32 H80 Ge2 N4 S6 -","- C32 H80 Ge2 N4 S6 -","- C64 H160 Ge4 N8 S12 -","2","1","","Blachnik, Roger; Fehlker, Andreas","Crystal structure of tetrakis-dibutylammonium hexathiodigermanate (IV), [(C~4~H~9~)~2~NH~2~]~4~[Ge~2~S~6~]","Zeitschrift für Kristallographie - New Crystal Structures","2001","216","2","215","220","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00","" "8100924","15.9955","0.0018","15.9955","0.0018","14.053","0.004","90","","90","","90","","3595.5","1.2","293","2","293","2","","","","","","","","6","P 42 b c","P 4c -2ab","106","","","","- C6 H24 Ga N6 Sb Se4 -","- C6 H24 Ga N6 Sb Se4 -","- C48 H192 Ga8 N48 Sb8 Se32 -","8","1","","Blachnik, Roger; Fehlker, Andreas; Reuter, Hans","Crystal structure of tris(ethylenediamine)gallium tetraselenoantimonate, [Ga(en)~3~]SbSe~4~","Zeitschrift für Kristallographie - New Crystal Structures","2001","216","2","211","212","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00","" "8100925","5.6871","0.0009","5.894","0.0013","14.1924","0.0013","83.237","0.012","82.716","0.01","73.564","0.016","450.92","0.13","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C10 H26 I N2 O6 Rb -","- C10 H26 I N2 O6 Rb -","- C10 H26 I N2 O6 Rb -","1","0.5","","Andrade, L.C.R.; Costa, M.M.R.; Rodrigues, V.H.; Paixão, J.A.; Filipa, P.; Almeida, A.; Chaves, M.R.; Klöpperpieper, A.","Crystal structure of betaine rubidium iodide dihydrate,(C~5~H~11~NO~2~) ~2~RbI · 2H~2~O","Zeitschrift für Kristallographie - New Crystal Structures","2001","216","2","227","228","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00","" "8100926","7.907","0.004","12.824","0.004","19.001","0.005","90","","90","","90","","1927","1","298","","298","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C7 H14 Cl7 N3 Te -","- C7 H21 Cl7 N3 Te -","- C28 H84 Cl28 N12 Te4 -","4","1","","Baldé, Lamine; Julien, Rene; Morgant, Georges","Crystal structure of 5-azoniaoctane-1,8-diammonium hexachloro tellurate (IV)‒hydrogen chloride (1/1), (TeCl~6~)(C~7~N~3~H~21~) · HCl","Zeitschrift für Kristallographie - New Crystal Structures","2001","216","2","229","230","","","","","","","","0.0443","","","0.0513","","","","","","","","","","","has coordinates","176466","2020-10-21","18:00:00","" "8100927","9.339","0.002","11.751","0.007","23.888","0.007","90","","90","","90","","2621.4","1.8","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C23 H40 Cl Ir N2 O3 -","- C23 H40 Cl Ir N2 O3 -","- C92 H160 Cl4 Ir4 N8 O12 -","4","1","","Polborn, Kurt; Hoffmüller, Wilfried; Beck, Wolfgang","Crystal structure of chloro-pentamethylcyclopentadienyl-S-leucyl-S- leucyl methylester-iridium(III), C~23~H~40~ClIrN~2~O~3~","Zeitschrift für Kristallographie - New Crystal Structures","2001","216","2","231","232","","","","","","","","0.0281","","","0.075","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00","" "8100928","10.507","0.002","14.347","0.003","12.484","0.002","90","","111.45","0.03","90","","1751.5","0.6","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C17 H22 Fe I N O -","- C17 H22 Fe I N O -","- C68 H88 Fe4 I4 N4 O4 -","4","1","","Peters, E.-M.; Peters, K.; Hinrichs, J.; Bringmann, G.","Crystal structure of N,N-diisopropyl 2-iodoferrocenecarboxamide, (C~5~H~5~)Fe(C~5~H~3~I)(C~7~H~14~NO)","Zeitschrift für Kristallographie - New Crystal Structures","2001","216","2","221","222","","","","","","","","","","","","","","","","","","","","","","has coordinates","176728","2020-10-21","18:00:00","" "8100929","7.702","0.001","9.844","0.001","12.706","0.002","90","","90","","90","","963.3","0.2","300","2","300","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","10,11-didehydro-quincoridine","","","- C10 H15 N O -","- C10 H15 N O -","- C40 H60 N4 O4 -","4","1","","Wartchow, R.; Frackenpohl, J.; Hoffmann, H. M. R.","Crystal structure of (1S,2R,4S,5S)-5-ethynyl-2-hydroxymethyl-1-azabicyclo [2.2.2]octane, (HC~2~)(HOCH~2~)(C~7~H~11~N)","Zeitschrift für Kristallographie - New Crystal Structures","2001","216","2","235","236","","","","","","","","","","","","","","","","","","","","","","has coordinates","202018","2020-10-21","18:00:00","" "8100930","12.5926","0.0016","6.991","0.0009","15.765","0.002","90","","107.661","0.006","90","","1322.5","0.3","291","1","291","1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C14 H13 N3 O4 -","- C14 H13 N3 O4 -","- C56 H52 N12 O16 -","4","1","","Kolev, Tsonko; Yancheva, Denitsa; Glavcheva, Zornitsa; Schürmann, Markus; Kleb, Dirk-Chr.; Preut, Hans; Bleckmann, Paul","Crystal structure of 4-hydroxy-3-methoxybenzaldehyde-4-nitrophenyl- hydrazone, C~14~H~13~N~3~O~4~","Zeitschrift für Kristallographie - New Crystal Structures","2001","216","2","237","238","","","","","","","","","","","","","","","","","","","","","","has coordinates","176728","2020-10-21","18:00:00","" "8100931","4.8356","0.001","13.0308","0.0013","32.408","0.006","90","","92.82","0.02","90","","2039.6","0.6","291","1","291","1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C11 H8 N2 O2 -","- C11 H8 N2 O2 -","- C88 H64 N16 O16 -","8","2","","Kolev, Tsonko; Yancheva, Denitsa; Glavcheva, Zornitsa; Schürmann, Markus; Kleb, Dirk-Chr.; Preut, Hans; Bleckmann, Paul","Crystal structure of 3-methoxy-4-hydroxybenzylidene-malononitrile, C~11~H~8~N~2~O~2~","Zeitschrift für Kristallographie - New Crystal Structures","2001","216","2","239","240","","","","","","","","","","","","","","","","","","","","","","has coordinates","202018","2020-10-21","18:00:00","" "8100932","17.3575","0.001","13.4847","0.001","8.4708","0.001","90","","99.15","0.006","90","","1957.5","0.3","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C40 H44 Cl2 N4 O2 Pd -","- C40 H44 Cl2 N4 O2 Pd -","- C80 H88 Cl4 N8 O4 Pd2 -","2","0.5","","Polborn, Kurt; Missling, Ch.-U.; Beck, W.","Crystal structure of trans-dichloro-bis(N-p-cycanobenzylidene)-p-n- hexyloxyaniline-palladium(II), C~40~H~44~Cl~2~N~4~O~2~Pd","Zeitschrift für Kristallographie - New Crystal Structures","2001","216","2","233","234","","","","","","","","0.0334","","","0.0892","","","","","","","","","","","has coordinates","176728","2020-10-21","18:00:00","" "8100933","8.807","0.003","20.89","0.01","16.542","0.009","90","","96.28","0.05","90","","3025","2","173","","173","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C18 H42 I O4 P4 Pt -","- C18 H42 I O4 P4 Pt -","- C72 H168 I4 O16 P16 Pt4 -","4","1","","Crisp, M. G.; Rendina, L. M.; Tiekink, E. R. T.","Crystal structure of trans-bis(diethylhydroxyphosphine)diethylphosphinito (iodo)platinum(II) triethylphosphineoxide solvate (1/1), [(Et~2~(OH)P)~2~(Et~2~PO)IPt] · Et~3~PO","Zeitschrift für Kristallographie - New Crystal Structures","2001","216","2","243","244","","","","","","","","","","","","","","","","","","","","","","has coordinates","176728","2020-10-21","18:00:00","" "8100934","6.3066","0.0001","7.5559","0.0002","14.7551","0.0004","88.5449","0.0009","82.5333","0.0009","69.2045","0.0013","651.57","0.03","291","1","291","1","","","","","","","","4","P -1","-P 1","2","","","","- C14 H16 N2 O3 -","- C14 H16 N2 O3 -","- C28 H32 N4 O6 -","2","1","","Kolev, Tsonko; Yancheva, Denitsa; Schürmann, Markus; Kleb, Dirk-Chr.; Preut, Hans; Bleckmann, Paul","Crystal structure of 4-[(4-N,N-dimethylaminophenylene)- amino]-3-ethoxy- 3-cyclobutene-1,2-dione, C~14~H~16~N~2~O~3~","Zeitschrift für Kristallographie - New Crystal Structures","2001","216","2","241","242","","","","","","","","","","","","","","","","","","","","","","has coordinates","202018","2020-10-21","18:00:00","" "8100935","9.2282","0.0014","9.3599","0.0008","19.781","0.003","90","0.009","100.69","0.015","90","0.014","1679","0.4","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C19 H20 N4 O -","- C19 H20 N4 O -","- C76 H80 N16 O4 -","4","1","","Uzoukwu, Bieluonwu A.; Gloe, Karsten; Duddeck, Helmut; Rademacher, Otto","Crystal structure of 1-(4-propanoyl-2,4-dihydro-5-methyl-2-phenyl- 3H-pyrazol-3-oneimine)-2-aminobenzene, C~19~H~20~N~4~O, and of 1- (4-butanoyl-2,4-dihydro-5-methyl-2-phenyl-3H-pyrazol-3-oneimine)-2- aminobenzene, C~20~H~22~N~4~O","Zeitschrift für Kristallographie - New Crystal Structures","2001","216","2","251","254","","","","","","","","","","","","","","","","","","","","","","has coordinates","202018","2020-10-21","18:00:00","" "8100936","8.83","0.002","9.171","0.002","11.4","0.003","77.956","0.019","77.41","0.02","83.97","0.02","879.4","0.4","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C20 H22 N4 O -","- C20 H22 N4 O -","- C40 H44 N8 O2 -","2","1","","Uzoukwu, Bieluonwu A.; Gloe, Karsten; Duddeck, Helmut; Rademacher, Otto","Crystal structure of 1-(4-propanoyl-2,4-dihydro-5-methyl-2-phenyl- 3H-pyrazol-3-oneimine)-2-aminobenzene, C~19~H~20~N~4~O, and of 1- (4-butanoyl-2,4-dihydro-5-methyl-2-phenyl-3H-pyrazol-3-oneimine)-2- aminobenzene, C~20~H~22~N~4~O","Zeitschrift für Kristallographie - New Crystal Structures","2001","216","2","251","254","","","","","","","","","","","","","","","","","","","","","","has coordinates","202018","2020-10-21","18:00:00","" "8100937","11.8269","0.0011","23.7979","0.0016","14.7179","0.0012","90","","110.846","0.005","90","","3871.3","0.5","110","2","110","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","C40 H44 O8 . C2 H6 O","","","- C42 H50 O9 -","- C42 H44 O9 -","- C168 H176 O36 -","4","0.5","","Thuéry, Pierre; Nierlich, Martine; Mathieu, Alexandre; Asfari, Zouhair; Vicens, Jacques","Crystal structure of 1,2-3,4-bis(crown-4)-calix[4]arene, C~40~H~44~O~8~ · C~2~H~6~O","Zeitschrift für Kristallographie - New Crystal Structures","2001","216","2","255","256","","","","","","","","","","","","","","","","","","","","","","has coordinates","176728","2020-10-21","18:00:00","" "8100938","9.2602","0.0018","10.9914","0.0017","4.0657","0.0006","90","","90","","90","","413.82","0.12","293","2","293","2","","","","","","","","6","P b a m","-P 2 2ab","55","","","","- C4 H14 F4 N2 O Ti -","- C4 H14 F4 N2 O Ti -","- C8 H28 F8 N4 O2 Ti2 -","2","0.25","","Tang, L.Q.; Dadachov, M.S.; Zou, X.D.","Crystal structure of 1,4-diaminobutane tetrafluorooxotitanate, (C~4~N~2~H~14~)[TiF~4~O]","Zeitschrift für Kristallographie - New Crystal Structures","2001","216","2","257","258","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00","" "8100939","21.036","0.004","10.7044","0.0013","12.481","0.002","90","","103.858","0.016","90","","2728.6","0.8","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C26 H28 F5 N6 V -","- C26 H28 F5.018 N6 V -","- C104 H112 F20.072 N24 V4 -","4","0.5","","Ramos Silva, M.; Matos Beja, A.; Paixão, J. A.; Alte da Veiga, L.","Crystal structure of bis(diphenylguanidinium) pentafluorovanadate, (C~13~H~14~N~3~)~2~VF~5 ~","Zeitschrift für Kristallographie - New Crystal Structures","2001","216","2","261","262","","","","","","","","","","","","","","","","","","","","","","has coordinates","176728","2020-10-21","18:00:00","" "8100940","3.861","0.001","4.928","0.001","11.326","0.002","84.34","0.02","87.08","0.01","83.45","0.02","212.88","0.08","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C6 H12 Cu O6 -","- C6 H12 Cu O6 -","- C6 H12 Cu O6 -","1","0.5","","Zheng, Yue-Qing; Pan, Ai-Ya; Lin, Jian-Li","Crystal structure of catena-adipato-O,O'-diaquacopper(II), Cu(C~6~H~8~O~4~) (H~2~O)~2~","Zeitschrift für Kristallographie - New Crystal Structures","2001","216","2","263","264","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00","" "8100941","35.194","0.004","8.343","0.001","9.259","0.001","90","","90","","90","","2718.7","0.5","293","2","293","2","","","","","","","","4","P c c n","-P 2ab 2ac","56","","","","- C10 H22 Mn O7 -","- C10 H22 Mn O7 -","- C80 H176 Mn8 O56 -","8","1","","Zheng, Yue-Qing; Zhou, Su-Qin; Lin, Jian-Li","Crystal structure of triaquasebacatomanganese(II), Mn(H~2~O)~3~(C~10~H~16~O~4~)","Zeitschrift für Kristallographie - New Crystal Structures","2001","216","2","265","266","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00","" "8100942","21.242","0.002","4.755","0.001","9.366","0.001","90","","93.132","0.001","90","","944.6","0.2","293","2","293","2","","","","","","","","4","P 1 2/c 1","-P 2yc","13","Zn(C8 H12 O4)","","","- C8 H12 O4 Zn -","- C8 H12 O4 Zn -","- C32 H48 O16 Zn4 -","4","1","","Zheng, Yue-Qing; Pan, Ai-Ya; Lin, Jian-Li","Crystal structure of zinc suberate, C~8~H~12~O~4~Zn","Zeitschrift für Kristallographie - New Crystal Structures","2001","216","2","267","268","","","","","","","","","","","","","","","","","","","","","","has coordinates","176728","2020-10-21","18:00:00","" "8100943","11.22","0.002","7.299","0.002","14.683","0.002","90","","98.16","0.01","90","","1190.3","0.4","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C8 H24 Co N2 Na4 O22 -","- C8 H24 Co N2 Na4 O22 -","- C16 H48 Co2 N4 Na8 O44 -","2","0.5","","Zheng, Yue-Qing; Lin, Jian-Li; Chen, Wan-Jie","Crystal structure of bis-(triaquanitratodisodium) diaquabis(succinato- O,O')-cobaltate(II), Na~2~(H~2~O)~3~(NO~3~)]~2~[Co(H~2~O)~2~(C~4~H~4~O~4~) ~2~]","Zeitschrift für Kristallographie - New Crystal Structures","2001","216","2","269","270","","","","","","","","","","","","","","","","","","","","","","has coordinates","176728","2020-10-21","18:00:00","" "8100944","10.29","0.002","10.29","0.002","37.722","0.015","90","","90","","90","","3993.9","1.9","148","2","148","2","","","","","","","","3","I 41/a c d :2","-I 4bd 2c","142","Tetrapropylhexathiaadamantane","","","- C16 H28 S6 -","- C16 H28 S6 -","- C128 H224 S48 -","8","0.25","","Mahjoub, Ahmed; Zantour, Hédi","Crystal structure of 1,3,5,7-tetrapropyl-2,4,6,8,9,10-hexathiaadamantane, C~4~S~6~(CH~2~CH~2~CH~3~)~4~","Zeitschrift für Kristallographie - New Crystal Structures","2001","216","2","271","272","","","","","","","","0.0246","","","0.0631","","","","","","","","","","","has coordinates","176728","2020-10-21","18:00:00","" "8100945","13.16","0.01","4.372","0.007","21.06","0.006","90","","92.8","0.04","90","","1210","2","113","","113","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C30 H30 N2 O4 -","- C30 H30 N2 O4 -","- C60 H60 N4 O8 -","2","0.5","","Caiazza, D.; Lincoln, S. F.; Tiekink, E. R. T.; Ward, A. D.","Crystal structure of 3,12,20,29-tetraoxa-35,36-diazapentacyclo[29.3.1.1 ^14,18^.0^5,10^.0^22,27^]hexatriaconta-1(35),6,8,14,16,18(36),22(27), 23,25,31,33-dodecane, C~30~H~30~N~2~O~4~","Zeitschrift für Kristallographie - New Crystal Structures","2001","216","2","245","246","","","","","","","","","","","","","","","","","","","","","","has coordinates","202018","2020-10-21","18:00:00","" "8100946","9.92","0.002","11.339","0.002","10.541","0.002","90","","113.35","0.03","90","","1088.6","0.4","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C13 H26 N6 O14 Zr -","- C13 H26 N6 O14 Zr -","- C26 H52 N12 O28 Zr2 -","2","1","","Haussühl, Eiken; Tillmanns, Ekkehart","Crystal structure of ammonium guanidinium zirconium bis(nitrilotriacetate) dihydrate, (NH~4~)(C(NH~2~)~3~)Zr(N(CH~2~COO)~3~)~2~ · 2H~2~O","Zeitschrift für Kristallographie - New Crystal Structures","2001","216","2","273","274","","","","","","","","","","","","","","","","","","","","","","has coordinates","176728","2020-10-21","18:00:00","" "8100947","11.916","0.002","9.906","0.002","12.064","0.002","90","","111.01","0.03","90","","1329.4","0.4","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","'bis(dimethylamine) zirconium bis(nitrilotriacetate)' tetrahydrate","","","- C16 H36 N4 O16 Zr -","- C16 H36 N4 O16 Zr -","- C32 H72 N8 O32 Zr2 -","2","1","","Haussühl, Eiken; Giester, G.; Tillmanns, E.","Crystal structure of bis(dimethylammonium) zirconium bis(nitrilotriacetate) tetrahydrate, (CH~3~NH~2~CH~3~)~2~Zr(N(CH~2~COO)~3~)~2~ · 4H~2~O","Zeitschrift für Kristallographie - New Crystal Structures","2001","216","2","275","276","","","","","","","","","","","","","","","","","","","","","","has coordinates","176728","2020-10-21","18:00:00","" "8100948","18.366","0.003","13.25","0.0018","18.237","0.007","90","","92.63","0.03","90","","4433.3","1.9","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C30 H46 Br9 N3 Sb2 -","- C30 H46 Br9 N3 Sb2 -","- C120 H184 Br36 N12 Sb8 -","4","1","","Ahmed, I. A.; Blachnik, R.; Reuter, H.; Eickmeier, H.","Crystal structure of tris(ethyldimethylphenylammonium) nonabromodiantimonate (III), [EtMe2PhN]3[Sb2Br9]","Zeitschrift für Kristallographie - New Crystal Structures","2001","216","2","207","208","","","","","","","","","","","","","","","","","","","","","","has coordinates","176728","2020-10-21","18:00:00","" "8100949","6.2952","0.0018","11.623","0.004","14.141","0.003","94.67","0.02","98.5","0.02","99.29","0.03","1004","0.5","100","","100","","","","","","","","","3","P -1","-P 1","2","1,3-Hydroxymethyl-2-oxaadamantane","","","- C11 H18 O3 -","- C11 H18 O3 -","- C44 H72 O12 -","4","2","","Bryan, Jeffrey C.; Mlinarić-Majerski, Kata; Kragol, Goran; Marchand, Alan P.","Crystal structure of 1,3-bis(hydroxymethyl)-2-oxaadamantane, C~11~H~18~O~3~","Zeitschrift für Kristallographie - New Crystal Structures","2001","216","2","277","279","","","","","","","","","","","","","","","","","","","","","","has coordinates","277875","2022-09-15","11:59:41","" "8100950","9.2023","0.0006","9.3636","0.0006","9.9442","0.0007","112.628","0.001","92.811","0.001","95.045","0.001","784.63","0.09","218","2","218","2","","","","","","","","5","P -1","-P 1","2","","","","- C15 H18 N2 O5 S -","- C15 H18 N2 O5 S -","- C30 H36 N4 O10 S2 -","2","1","","Kolberg, A.; Schulze, B.; Sieler, J.","Crystal structure of 1-benzoylamino-8a-hydroperoxy-1,5,6,7,8,8a-hexahydro- 4H-cyclohepta[c]isothiazole 2,2-dioxide, C~15~H~18~N~2~O~5~S","Zeitschrift für Kristallographie - New Crystal Structures","2001","216","2","309","310","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00","" "8100951","8.364","0.004","8.481","0.004","8.134","0.003","111.06","0.03","94.83","0.04","97.78","0.04","527.9","0.5","173","","173","","","","","","","","","5","P -1","-P 1","2","","","","- C12 H28 O4 P2 S4 -","- C12 H28 O4 P2 S4 -","- C12 H28 O4 P2 S4 -","1","0.5","","Tiekink, E.R.T.","Refinement of the crystal structure of bis(O,O'-diisopropylphosphorothionyl) disulfide at 173 K, [(C~3~H~7~O)~2~PS~2~]~2~","Zeitschrift für Kristallographie - New Crystal Structures","2001","216","2","247","248","","","","","","","","","","","","","","","","","","","","","","has coordinates","176466","2020-10-21","18:00:00","" "8100952","4.2699","0.0001","13.7544","0.0002","15.828","0.0004","90","","97.263","0.001","90","","922.12","0.03","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C6 H10 N2 O S2 -","- C6 H10 N2 O S2 -","- C24 H40 N8 O4 S8 -","4","1","","Tarafder, M.T.H.; Yamin, Bohari M.; Fun, H.-K.","Crystal structure of S-methyl β-N-(methylacetyl)methylenedithiocarbazate, C~6~H~10~N~2~OS~2~","Zeitschrift für Kristallographie - New Crystal Structures","2001","216","2","283","284","","","","","","","","","","","","","","","","","","","","","","has coordinates","202018","2020-10-21","18:00:00","" "8100953","12.856","0.001","16.726","0.002","16.268","0.001","90","","96.55","0.01","90","","3475.3","0.5","293","2","293","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C36 H42 Cu N2 O6 -","- C36 H42 Cu N2 O6 -","- C144 H168 Cu4 N8 O24 -","4","1","","Lemoine, Pascale; Tomas, Alain; Nguyen-Huy, Dung; Viossat, Bernard","Crystal structure of bis[3,5-diisopropylsalicylato](2,2'-bipyridyl)- copper(II), C~36~H~42~CuN~2~O~6~","Zeitschrift für Kristallographie - New Crystal Structures","2001","216","2","280","282","","","","","","","","","","","","","","","","","","","","","","has coordinates","176728","2020-10-21","18:00:00","" "8100954","9.758","0.001","12.097","0.001","21.381","0.004","90","","95.08","0.01","90","","2514","0.6","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H25 Eu O11 -","- C24 H25 Eu O11 -","- C96 H100 Eu4 O44 -","4","1","","Li, Xia; Jin, Qiong-Hua; Zou, Ying-Quan; Yu, Kai-Bei","Crystal structure of catena-poly[(diaqua(3-methoxy-benzato-O,O')europium- bis-μ-3-methoxy-benzato-O,O':O'-diaqua(3-methoxybenzato-O,O') europium-bis-μ-3-methoxybenzato-O,O':O'], C~24~H~25~EuO~11~","Zeitschrift für Kristallographie - New Crystal Structures","2001","216","2","285","286","","","","","","","","","","","","","","","","","","","","","","has coordinates","176728","2020-10-21","18:00:00","" "8100955","11.461","0.003","7.7829","0.0012","19.295","0.004","90","","100.81","0.03","90","","1690.6","0.6","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H16 Cu N2 O8 -","- C14 H16 Cu N2 O8 -","- C56 H64 Cu4 N8 O32 -","4","1","","Krupicka, Erik; Lentz, Axel","Crystal structure of diaqua-(2,2'-bipyridine)-bis-μ~2~-squarato (1,2)-copper(II) dihydrate, [Cu(C~10~H~8~N~2~)(C~4~O~4~)(H~2~O)~2~] · 2H~2~O","Zeitschrift für Kristallographie - New Crystal Structures","2001","216","2","287","288","","","","","","","","","","","","","","","","","","","","","","has coordinates","176728","2020-10-21","18:00:00","" "8100956","11.69","0.002","7.751","0.002","12.698","0.005","90","","105.72","0.02","90","","1107.5","0.6","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C25 H28 Br N O2 -","- C25 H28 Br N O2 -","- C50 H56 Br2 N2 O4 -","2","1","","Peters, Eva-Maria; Peters, Karl; Walter, Rainer; Stäblein, Manuela; Bringmann, Gerhard","Crystal structure of (1R,3R)-8-benzyloxy-N-benzyl-6-hydroxy-1,3-dimethyl- 1,2,3,4-tetrahydroisoquinoline hydrobromide, C~9~H~6~N(CH~3~)~2~(CH~2~C~6~H~5~) (OH)(OCH~2~C~6~H~5~) · HBr","Zeitschrift für Kristallographie - New Crystal Structures","2001","216","2","223","224","","","","","","","","","","","","","","","","","","","","","","has coordinates","202018","2020-10-21","18:00:00","" "8100957","15.885","0.003","17.168","0.003","13.92","0.003","90","","90","","90","","3796.2","1.3","293","2","293","2","","","","","","","","3","C 2 2 2","C 2 2","21","","","","- C20 H34 O2 -","- C20 H34 O2 -","- C160 H272 O16 -","8","1","","Loyola, Luis Alberto; Bórquez, Jorge; Galdámez, Antonio; Manríquez, Víctor; San-Martín, Aurelio","Crystal structure of 7-deacetylazorellanol, C~20~H~34~O~2~ , a deterpenoid from Azorella Compacta","Zeitschrift für Kristallographie - New Crystal Structures","2001","216","2","291","292","","","","","","","","","","","","","","","","","","","","","","has coordinates","202018","2020-10-21","18:00:00","" "8100958","14.073","0.001","14.073","0.001","32.519","0.001","90","0.01","90","0.01","120","0.01","5577.1","0.6","298","","298","","","","","","","","","4","P -3 1 c","-P 3 2c","163","","","","- C10 H16 O5 Sn -","- C10 H16 O5 Sn -","- C120 H192 O60 Sn12 -","12","1","","Verdenelli, Martine; Parola, Stephane; Lecoq, Sylvain; Hubert-Pfalzgraf, Liliane G.","Crystal structure of tris[oxo-bis(2,4-pentanedionato)tin(IV)], [SnO (acac)~2~]~3~","Zeitschrift für Kristallographie - New Crystal Structures","2001","216","2","295","296","","","","","","","","","","","","","","","","","","","","","","has coordinates","200410","2020-10-21","18:00:00","" "8100959","8.115","0.001","8.706","0.001","19.989","0.002","90","","90","","90","","1412.2","0.3","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C15 H22 O3 -","- C15 H22 O3 -","- C60 H88 O12 -","4","1","","Peters, Eva-Maria; Peters, Karl; Seyberlich, Birgit; Tochtermann, Werner","Crystal structure of (3R,5R)-(+)-3-methyl-1-oxa-spiro[4.10]pentadec- 9-en-2,6-dione, (OCOCHCH~3~CH~2~)(C)(COC~9~H~16~)","Zeitschrift für Kristallographie - New Crystal Structures","2001","216","2","225","226","","","","","","","","","","","","","","","","","","","","","","has coordinates","202018","2020-10-21","18:00:00","" "8100960","5.8392","0.0016","7.221","0.002","8.692","0.003","67.78","0.03","74.52","0.03","83.3","0.03","326.9","0.16","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C2 H8 F5 N O Ti -","- C2 H8 F5 N O Ti -","- C4 H16 F10 N2 O2 Ti2 -","2","1","","Tang, L.Q.; Dadachov, M.; Zou, X.D.","Crystal structure of piperazine bis(aquapentafluorotitanate), (C~4~H~12~N~2~) [TiF~5~(H~2~O)]~2~","Zeitschrift für Kristallographie - New Crystal Structures","2001","216","2","259","260","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00","" "8100961","8.4173","0.0014","15.849","0.004","16.387","0.005","61.373","0.011","85.73","0.017","84.884","0.014","1909.9","0.9","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H66 B2 N4 O8 -","- C30 H66 B2 N4 O8 -","- C60 H132 B4 N8 O16 -","2","1","","Kuhn, N.; Steimann, M.; Weyers, G.","Crystal structure of 1,3-diisopropyl-4,5-dimethylimidazolium tetramethoxyborate, [C~11~H~21~N~2~][B(OCH~3~)~4~]","Zeitschrift für Kristallographie - New Crystal Structures","2001","216","2","315","317","","","","","","","","","","","","","","","","","","","","","","has coordinates","202018","2020-10-21","18:00:00","" "8100962","9.692","0.002","9.692","0.002","9.829","0.005","90","","90","","90","","923.3","0.5","173","2","173","2","","","","","","","","3","P 43 21 2","P 4nw 2abw","96","","","","- C9 H16 N2 -","- C9 H15.98 N2 -","- C36 H63.92 N8 -","4","0.5","","Norbert, Kuhn; Manfred, Steimann; Michael, Walker","Crystal structure of 4,5-diisopropylimidazole, (C~3~H~7~)~2~C~3~N~2~H~2~","Zeitschrift für Kristallographie - New Crystal Structures","2001","216","2","318","318","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00","" "8100963","7.6568","0.0014","7.8134","0.0012","8.1308","0.0011","73.075","0.011","87.729","0.012","69.156","0.014","433.79","0.12","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C20 H24 N2 -","- C20 H24 N2 -","- C20 H24 N2 -","1","0.5","","Kuhn, N.; Steimann, M.; Walker, I.","Crystal structure of 2,3-bis(O,O'dimethylphenyl)-iminobutane, [C~6~H~3~ (CH~3~)~2~]~2~C~2~N~2~(CH~3~)~2~","Zeitschrift für Kristallographie - New Crystal Structures","2001","216","2","319","319","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00","" "8100964","8.3068","0.0009","7.966","0.001","18.599","0.003","90","","96.304","0.009","90","","1223.3","0.3","","","291","1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C11 H14 O5 S -","- C11 H14 O5 S -","- C44 H56 O20 S4 -","4","1","","Zukerman-Schpector, J.; Olivato, Paulo R.; Yreijo, Marcelo H.","Crystal structure of 2'-methoxyphenyl-2-ethylsulfonyl acetate, C~11~H~14~O~5~S","Zeitschrift für Kristallographie - New Crystal Structures","2001","216","2","297","298","","","","","","","","0.0534","","","0.1259","","","","","","","","","","","has coordinates","202018","2020-10-21","18:00:00","" "8100965","17.36","0.002","18.487","0.002","10.836","0.001","90","","100.51","0.01","90","","3419.3","0.6","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C18 H28 O4 -","- C18 H28 O4 -","- C144 H224 O32 -","8","2","","Peters, Eva-Maria; Peters, Karl; Seyberlich, Birgit; Tochtermann, Werner","Crystal structure of tetrakis-dibutylammonium hexathiodigermanate (IV), [(C~4~H~9~)~2~NH~2~]~4~[Ge~2~S~6~]","Zeitschrift für Kristallographie - New Crystal Structures","2001","216","2","215","220","","","","","","","","","","","","","","","","","","","","","","has coordinates","176728","2020-10-21","18:00:00","" "8100966","8.13","0.002","10.473","0.002","11.143","0.002","68.22","0.03","79.16","0.03","87.87","0.03","864.8","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C38 H32 B2 F8 P2 -","- C38 H32 B2 F8 P2 -","- C38 H32 B2 F8 P2 -","1","0.5","","Blachnik, Roger; Reuter, Hans; Roth, Georg; Wiest, Thomas; Eickmeier, Henning","Crystal structure of 1,2-vinylen-bis(triphenylphosphonium) bis(boron tetrafluoride), [Ph~3~P-CH=CH-PPh~3~][BF~4~]~2~","Zeitschrift für Kristallographie - New Crystal Structures","2001","216","2","209","210","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00","" "8100967","14.094","0.003","13.633","0.003","13.235","0.002","90","","110.805","0.004","90","","2377.2","0.8","213","2","213","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C18 H30 Au Cl N8 O2 -","- C18 H30 Au Cl N8 O2 -","- C72 H120 Au4 Cl4 N32 O8 -","4","0.5","","Staples, R. J.","Crystal structure of bis(4-methylimidizide)bis(4-methylimidizole)- gold(III)‒methanol (1/2), {[(CH~3~)C~3~N~2~H~2~]~2~[(CH~3~)C~3~N~2~H~3~] ~2~Au} · 2CH~3~OH","Zeitschrift für Kristallographie - New Crystal Structures","2001","216","2","311","312","","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","176728","2020-10-21","18:00:00","" "8100968","9.4562","0.0006","12.4669","0.0008","6.9661","0.0005","90","","100.814","0.001","90","","806.65","0.09","213","2","213","2","","","","","","","","3","P 1 c 1","P -2yc","7","","","","- C9 H8 N2 -","- C9 H8 N2 -","- C36 H32 N8 -","4","2","","Staples, Richard J.; Sonderegger, Lori H.","Crystal structure of 4-phenylimidazole, C~9~H~8~N~2~","Zeitschrift für Kristallographie - New Crystal Structures","2001","216","2","313","314","","","","","","","","","","","","","","","","","","","","","","has coordinates","202018","2020-10-21","18:00:00","" "8100969","14.1614","0.0016","15.5672","0.0011","6.9883","0.0008","90","","106.495","0.013","90","","1477.2","0.3","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C18 H18 N2 O2 -","- C18 H18 N2 O2 -","- C72 H72 N8 O8 -","4","0.5","","Schneider, G. M.; Tuma, D.; Winter, M.; Wagner, B.","Crystal structure of 1,4-bis(ethylamino)anthracene-9,10-dione, C~18~H~18~N~2~O~2~","Zeitschrift für Kristallographie - New Crystal Structures","2001","216","2","299","300","","","","","","","","","","","","","","","","","","","","","","has coordinates","176728","2020-10-21","18:00:00","" "8100970","8.1337","0.0009","13.721","0.002","10.7563","0.0012","90","","111.203","0.012","90","","1119.2","0.2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C8 H10 Cu N2 O7 -","- C8 H10 Cu N2 O7 -","- C32 H40 Cu4 N8 O28 -","4","1","","Krupicka, Erik; Lentz, Axel","Crystal structure of diaqua-di-μ~2~-aqua-bis(pyridazine)-bis (μ~2~-(1,2)-squarato)-dicopper(II) dihydrate, [Cu(C~5~H~4~N~2~) (C~4~O~4~)(H~2~O)~2~] · H~2~O","Zeitschrift für Kristallographie - New Crystal Structures","2001","216","2","289","290","","","","","","","","","","","","","","","","","","","","","","has coordinates","176728","2020-10-21","18:00:00","" "8100971","12.476","0.003","11.134","0.002","14.1","0.003","90","","149.49","0.03","90","","994.4","0.3","93","2","93","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C12 H16 O2 -","- C12 H16 O2 -","- C48 H64 O8 -","4","1","","Oesterreich, Kai; Spitzner, Dietrich; Oeckler, Oliver; Simon, Arndt","Crystal structure of 3-hydroxy-8-methyltricyclo-[5.3.1.0^3,8^]undec- 5-en-2-one, C~12~H~16~O~2~","Zeitschrift für Kristallographie - New Crystal Structures","2001","216","2","293","294","","","","","","","","","","","","","","","","","","","","","","has coordinates","176728","2020-10-21","18:00:00","" "8100972","23.517","0.003","25.616","0.003","11.769","0.002","90","","90","","90","","7090","2","173","","173","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C42 H35 Cl P2 Pt -","- C42 H35 Cl P2 Pt -","- C336 H280 Cl8 P16 Pt8 -","8","1","","Crisp, M. G.; Rendina, L. M.; Tiekink, E.R.T.","Refinement of the crystal structure of trans-chloro-phenyl-bis (triphenylphosphine)platinum(II) at 173 K, C~42~H~35~ClP~2~Pt","Zeitschrift für Kristallographie - New Crystal Structures","2001","216","2","249","250","","","","","","","","","","","","","","","","","","","","","","has coordinates","176466","2020-10-21","18:00:00","" "8100973","8.157","0.004","15.091","0.002","11.035","0.002","90","","92.37","0.03","90","","1357.2","0.7","293","","293","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","4'-hydroxy-β-naphthoflavone","","","- C19 H12 O3 -","- C19 H12 O3 -","- C76 H48 O12 -","4","1","","Shoja, M.; Krikava, A.; Kabbani, R.","Crystal structure of 4'-hydroxy-5,6-benzoflavone, C~19~H~12~O~3~","Zeitschrift für Kristallographie - New Crystal Structures","2001","216","2","301","302","","","","","","","","0.06","","","0.064","","","","","","","","","","","has coordinates","176432","2020-10-21","18:00:00","" "8100974","7.377","0.003","9.619","0.003","11.901","0.003","107.695","0.01","100.064","0.01","108.766","0.01","726.2","0.4","293","","293","","","","","","","","","3","P -1","-P 1","2","","","","- C17 H14 O5 -","- C17 H14 O5 -","- C34 H28 O10 -","2","1","","Shoja, M.","Crystal structure of 2',4'-dimethoxy-3-hydroxyflavone, C~17~H~14~O~5~","Zeitschrift für Kristallographie - New Crystal Structures","2001","216","2","303","304","","","","","","","","0.037","","","0.039","","","","","","","","","","","has coordinates","277875","2022-09-15","11:59:41","" "8100975","18.52","0.003","9.611","0.002","21.901","0.004","90","","104.43","0.01","90","","3775.3","1.2","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C40 H54 O10 -","- C40 H54 O10 -","- C160 H216 O40 -","4","1","","Peters, Eva-Maria; Peters, Karl; Meints, Christine; Tochtermann, Werner","Crystal structure of (pM*,pM*)-(±)-bi-(dimethyl-3,6-decanooxepine- 4,5-dicarboxylate), [C~6~HO(CH~2~)~10~(COOCH~3~)~2~]~2~","Zeitschrift für Kristallographie - New Crystal Structures","2001","216","2","305","306","","","","","","","","","","","","","","","","","","","","","","has coordinates","202018","2020-10-21","18:00:00","" "8100976","22.658","0.003","10.764","0.002","15.261","0.002","90","","124.497","0.008","90","","3067.8","0.8","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C15 H17 N3 O5 -","- C15 H17 N3 O5 -","- C120 H136 N24 O40 -","8","1","","Peters, Eva-Maria; Peters, Karl; Ott, Frank; Tochtermann, Werner","Crystal structure of methyl(1R*,12R*,13S*,15R*)-9-aza-11-diazo-14, 16- dioxa-10-oxo-tetracyclo[10.4.0.0^1,15^.0^8,13^]hexadec-7-ene-12- carboxylate, (C~3~HNHCOCN~2~)(C~2~HO~2~)(C~6~H~11~)COOCH~3~","Zeitschrift für Kristallographie - New Crystal Structures","2001","216","2","307","308","","","","","","","","","","","","","","","","","","","","","","has coordinates","176728","2020-10-21","18:00:00","" "8100977","14.4703","0.0002","14.4703","0.0002","14.4703","0.0002","90","","90","","90","","3029.93","0.07","293","2","293","2","","","","","","","","3","P 41 3 2","P 4bd 2ab 3","213","","","","- Ba4 Ge25 Na2 -","- Ba3.993 Ge25 Na1.998 -","- Ba15.972 Ge100 Na7.992 -","4","0.166667","","Carrillo-Cabrera, Wilder; Curda, Jan; Peters, Karl; Paschen, Silke; Grin, Yuri; von Schnering, Hans Georg","Crystal structure of the chiral clathrate, Na~2~Ba~4~Ge~25~","Zeitschrift für Kristallographie - New Crystal Structures","2001","216","2","183","184","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00","" "8100978","4.933","0.001","4.933","0.001","10.99","0.001","90","","90","","120","","231.61","0.07","293","2","293","2","","","","","","","","3","P -6 m 2","P -6 2","187","","","","- Ca Li Pb -","- Ca Li Pb -","- Ca3 Li3 Pb3 -","3","0.25","","Fornasini, Maria L.; Merlo, Franco; Pani, Marcella","Crystal structure of calcium lithium plumbide (1/1/1), CaLiPb, and ytterbium lithium plumbide (1/1/1), YbLiPb","Zeitschrift für Kristallographie - New Crystal Structures","2001","216","2","173","174","","","","","","","","0.0484","","","0.1239","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00","" "8100979","4.918","0.001","4.918","0.001","10.921","0.003","90","","90","","120","","228.75","0.09","293","2","293","2","","","","","","","","3","P -6 m 2","P -6 2","187","","","","- Li Pb Yb -","- Li Pb Yb -","- Li3 Pb3 Yb3 -","3","0.25","","Fornasini, Maria L.; Merlo, Franco; Pani, Marcella","Crystal structure of calcium lithium plumbide (1/1/1), CaLiPb, and ytterbium lithium plumbide (1/1/1), YbLiPb","Zeitschrift für Kristallographie - New Crystal Structures","2001","216","2","173","174","","","","","","","","0.0538","","","0.1029","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00","" "8100980","7.2097","0.0008","7.2097","0.0008","7.4587","0.0009","90","","90","","90","","387.7","0.08","300","2","300","2","","","","","","","","3","P 4/m n c","-P 4 2n","128","","","","- B14 Ho4 Ni -","- B14 Ho4 Ni -","- B28 Ho8 Ni2 -","2","0.125","","Geupel, Sandra; Zahn, Gernot; Paufler, Peter; Graw, Gerald","Crystal structure of tetraholmium nickel tetradecaboride, Ho~4~NiB~14~","Zeitschrift für Kristallographie - New Crystal Structures","2001","216","2","175","176","","","","","","","","","","","","","","","","","","","","","","has coordinates","176466","2020-10-21","18:00:00","" "8100981","10.5038","0.0008","10.5038","0.0008","10.5038","0.0008","90","","90","","90","","1158.88","0.15","123","2","123","2","","","","","","","","5","I -4 3 m","I -4 2 3","217","","","","- As H36 Li3 N12 Se4 -","- As H36 Li3 N12 Se4 -","- As2 H72 Li6 N24 Se8 -","2","0.0416667","","Korber, Nikolaus; Grothe, Michael","Crystal structure of tris-tetraamminlithium tetraselenoarsenate(V), [Li(NH~3~)~4~]~3~[AsSe~4~]","Zeitschrift für Kristallographie - New Crystal Structures","2001","216","2","177","178","","","","","","","","","","","","","","","","","","","","","","has coordinates","176466","2020-10-21","18:00:00","" "8100982","13.107","0.002","13.107","0.002","18.333","0.003","90","","90","","120","","2727.4","0.6","293","2","293","2","","","","","","","","3","R -3 c :H","-R 3 2""c","167","","","","- Cl9 Cs3 Y2 -","- Cl9 Cs3 Y2 -","- Cl54 Cs18 Y12 -","6","0.166667","","Drozdzynski, J.; Kossowski, K.; Meyer, G.; Müller, I.; Wickleder, M. S.","Refinement of the crystal structure of tricesium diyttrium nonachloride, Cs~3~Y~2~Cl~9~","Zeitschrift für Kristallographie - New Crystal Structures","2001","216","2","179","179","","","","","","","","0.0419","","","0.0697","","","","","","","","","","","has coordinates","176728","2020-10-21","18:00:00","" "8100983","7.3889","0.0005","7.3889","0.0005","5.3065","0.0003","90","","90","","90","","289.71","0.03","293","2","293","2","","","","","","","","4","P 4/n m m :1","P 4ab 2ab -1ab","129","","","","- Ag3 Cl Cr O4 -","- Ag3 Cl Cr O4 -","- Ag6 Cl2 Cr2 O8 -","2","0.125","","Curda, Jan; Peters, Eva Maria; Klein, Wilhelm; Jansen, Martin","Crystal structure of silver chloride chromate (VI), Ag~3~ClCrO~4~","Zeitschrift für Kristallographie - New Crystal Structures","2001","216","2","180","180","","","","","","","","","","","","","","","","","","","","","","has coordinates","176728","2020-10-21","18:00:00","" "8100984","10.9864","0.0007","10.9864","0.0007","10.9864","0.0007","90","","90","","90","","1326.07","0.02","293","2","293","2","","","","","","","","4","F -4 3 m","F -4 2 3","216","Heptasilver(I)tetraseleniogermanate(IV) selenide iodide","","","- Ag7 Ge I Se5 -","- Ag6.996 Ge I Se5 -","- Ag27.984 Ge4 I4 Se20 -","4","0.0416667","","Aldon, Laurent; Belin, Renaud; Pontillon, Yves","Refinement of the crystal structure of heptasilver(I) tetraseleniogermanate (IV) selenide iodide, Ag~7~GeISe~5~","Zeitschrift für Kristallographie - New Crystal Structures","2001","216","2","181","182","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00","" "8100985","19.522","0.004","7.121","0.001","18.813","0.004","90","","90","","90","","2615.3","0.9","293","2","293","2","","","","","","","","3","C m c m","-C 2c 2","63","Dilead tritellurate IV","","","- O8 Pb2 Te3 -","- O8 Pb2 Te3 -","- O96 Pb24 Te36 -","12","0.75","","Champarnaud-Mesjard, Jean-Claude; Thomas, Philippe; Colas-Dutreilh, Maggy; Oufkir, Abdelrhani","Crystal structure of dilead tritellurate (IV), Pb~2~Te~3~O~8~","Zeitschrift für Kristallographie - New Crystal Structures","2001","216","2","185","186","","","","","","","","","","","","","","","","","","","","","","has coordinates","176466","2020-10-21","18:00:00","" "8100986","9.471","0.001","9.471","0.001","26.236","0.001","90","","90","","120","","2038.1","0.3","293","2","293","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- Cl18 Cs2 Nb6 Pb -","- Cl18 Cs2 Nb6 Pb -","- Cl54 Cs6 Nb18 Pb3 -","3","0.166667","","Gulo, Fakhili; Cordier, S.; Perrin, C.","Crystal structure of dicesium lead hexaniobium octadecachloride, Cs~2~PbNb~6~Cl~18~","Zeitschrift für Kristallographie - New Crystal Structures","2001","216","2","187","188","","","","","","","","","","","","","","","","","","","","","","has coordinates","176728","2020-10-21","18:00:00","" "8100987","5.0279","0.0007","5.0279","0.0008","13.2161","0.0019","90","0.002","90","0.002","120","0.002","289.34","0.07","293","2","293","2","","","","","","","","7","P 63 c m","P 6c -2","185","","","","- Al4 Cr4 H1.37 K2.63 Mg4 O14 Si4 -","- K1.3116 Mg2.124 O7.054 Si2 -","- K2.6232 Mg4.248 O14.108 Si4 -","2","0.166667","","Mancini, Franco; Harlow, George; Cahill, Cristopher L.","Crystal structure of potassium dimagnesium disilicate hydroxide, K~1.3~ (Mg~0.95~Al~0.03~Cr~0.02~)~2~Si~2~O~6.4~(OH)~0.6~","Zeitschrift für Kristallographie - New Crystal Structures","2001","216","2","189","190","","","","","","","","","","","","","","","","","","","","","","has coordinates","176466","2020-10-21","18:00:00","" "8100988","6.647","0.002","8.773","0.002","4.918","0.001","90","","102.5","0.03","90","","280","0.1","300","2","300","2","","","","","","","","3","C 1 2/m 1","-C 2y","12","indium digermanate","","","- Ge2 In2 O7 -","- Ge2 In2 O7 -","- Ge4 In4 O14 -","2","0.25","","Pfeifer, Andrea; Wartchow, Rudolf; Binnewies, Michael","Crystal structure of diindium digermanate, In~2~(Ge~2~O~7~)","Zeitschrift für Kristallographie - New Crystal Structures","2001","216","2","191","192","","","","","","","","","","","","","","","","","","","","","","has coordinates","176728","2020-10-21","18:00:00","" "8100989","7.1666","0.0004","14.7117","0.001","7.4695","0.0007","90","","92.324","0.006","90","","786.88","0.1","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- D2 K O4 P -","- D2 K O4 P -","- D16 K8 O32 P8 -","8","4","","Kim, Shin Ae; Kang, Sung Kwon; Lee, Eun Kwang; Shim, Hae-Seop; Lee, Chang-Hee","Refinement of the crystal structure of potassium dideuterium phosphate, KD~2~PO~4~","Zeitschrift für Kristallographie - New Crystal Structures","2001","216","2","193","194","","","","","","","","","","","","","","","","","","","","","","has coordinates","176728","2020-10-21","18:00:00","" "8100990","7.946","0.0016","12.255","0.003","15.389","0.003","90","","90","","90","","1498.6","0.5","173","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C14 H21 N3 O Si -","- C14 H21 N3 O Si -","- C56 H84 N12 O4 Si4 -","4","1","","Ducray, Richard; Grosvalet, Laurent; Ciufolini, Marco A.; Perrin, Monique","Crystal structure of (3aS,4S,5R)-4-trimethylsilyl-3a,4,5,6-tetrahydro- 3H-1,2,10b-triaza-benzo[e]azulen-5-ol, C~14~H~21~N~3~OSi","Zeitschrift für Kristallographie - New Crystal Structures","2001","216","3","347","348","","","","","","","","","","","","","","","","","","","","","","has coordinates","202018","2020-10-21","18:00:00","" "8100991","10.36","0.002","9.0597","0.0018","15.511","0.003","90","","101.12","0.03","90","","1428.4","0.5","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C14 H21 N O Si -","- C14 H21 N O Si -","- C56 H84 N4 O4 Si4 -","4","1","","Ducray, Richard; Grosvalet, Laurent; Ciufolini, Marco A.; Perrin, Monique","Crystal structure of (1aS,2S,3R)-2-trimethylsilyl-1a,2,3,4-tetrahydro- 1H-8b-aza-benzo[a]cyclopropa[c]cyclohepten-3-ol, C~14~H~21~NOSi","Zeitschrift für Kristallographie - New Crystal Structures","2001","216","3","349","350","","","","","","","","","","","","","","","","","","","","","","has coordinates","202018","2020-10-21","18:00:00","" "8100992","9.249","0.001","9.807","0.001","10.73","0.001","68","0.01","84.47","0.01","62.05","0.01","793.4","0.14","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C18 H44 La2 O22 -","- C18 H44 La2 O22 -","- C18 H44 La2 O22 -","1","0.5","","Zheng, Yue-Qing; Zhou, Lin-Xia; Lin, Jian-Li","Crystal structure of dilanthanum triadipate decahydrate, La~2~(C~6~H~8~O~4~)~3~ · 10H~2~O","Zeitschrift für Kristallographie - New Crystal Structures","2001","216","3","351","352","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00","" "8100993","8.877","0.002","18.509","0.001","22.087","0.002","90","","90","","90","","3629","0.9","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C12 H20 Mn N2 O10 S -","- C12 H20 Mn N2 O10 S -","- C96 H160 Mn8 N16 O80 S8 -","8","1","","Zheng, Yue-Qing; Lin, Jian-Li","Crystal structure of tetraaqua-(1,10-phenanthroline-N,N')manganese(II) sulfate dihydrate, [Mn(H~2~O)~4~(phen)]SO~4~ · 2H2O","Zeitschrift für Kristallographie - New Crystal Structures","2001","216","3","353","354","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00","" "8100994","13.206","0.003","9.37","0.002","33.354","0.008","90","","97.95","0.03","90","","4087.6","1.6","300","2","300","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","bis(trimipraminium) tetrachlorocuprate","","","- C20 H27 Cl2 Cu0.5 N2 -","- C20 H27 Cl2 Cu0.5 N2 -","- C160 H216 Cl16 Cu4 N16 -","8","1","","Kamel, L. T.; El Essawi, M.; Wartchow, R.; Berthold, H. J.","Crystal structure of bis[(10,11-dihydro-dibenzo[b,f]azepin-5-yl)-2- methyl-propyl-dimethyl-ammonium] tetrachlorocuprate(II), (C~20~H~27~N~2~)~2~[CuCl~4~]","Zeitschrift für Kristallographie - New Crystal Structures","2001","216","3","359","360","","","","","","","","0.0757","","","0.0784","","","","","","","","","","","has coordinates","176466","2020-10-21","18:00:00","" "8100995","17.016","0.005","19.164","0.005","9.722","0.005","90","0.005","90","0.005","90","0.005","3170","2","293","2","293","2","","","","","","","","4","I b a 2","I 2 -2c","45","","","","- C7 H9 B O2 -","- C7 H9 B O2 -","- C112 H144 B16 O32 -","16","2","","Zheng, Chong; Spielvogel, Bernard F.; Hosmane, Narayan S.","Crystal structure of 4-methylphenylboronic acid, C~7~H~9~BO~2~","Zeitschrift für Kristallographie - New Crystal Structures","2001","216","3","341","342","","","","","","","","","","","","","","","","","","","","","","has coordinates","202018","2020-10-21","18:00:00","" "8100996","12.111","0.002","12.111","0.002","42.151","0.008","90","","90","","90","","6182.2","1.7","173","2","173","2","","","","","","","","5","P 41 21 2","P 4abw 2nw","92","","","","- C31.25 H39 N2 O8.25 S -","- C31.25 H39 N2 O8.25 S -","- C250 H312 N16 O66 S8 -","8","1","","Bavoux, C.; Perrin, M.; Ousmer, M.; Braun, N. A.; Ciufolini, M.","Crystal structure of (1S,3S,6S,7S,8S,9S)-7,9-diacetoxy-6-(4-methoxybenzyl)- 3-[N-methyl-N-(4-methylphenyl)sulfonylamino]-5-azatricyclo[6.3.1.0^1,5^] dodecan-4-one—methanol (1/0.25), C~31~H~38~N~2~O~8~S · ¼ (CH~3~OH)","Zeitschrift für Kristallographie - New Crystal Structures","2001","216","3","361","362","","","","","","","","0.0748","","","0.1361","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00","" "8100997","13.8","0.004","20.598","0.009","22.405","0.005","90","","90","","90","","6368.7","3.6","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C26 H46 O4 Si4 -","- C26 H46 O4 Si4 -","- C208 H368 O32 Si32 -","8","1","","Tinant, Bernard; Declercq, Jean-Paul; Bouillon, Jean-Philippe; Portella, Charles","Crystal structure of 1S*,7S*-bis(trimethylsilylcarbonyl)-2S*,6S*-dihydroxy- 2S*,6S*-bis(trimethylsilyl)-1,2,3,5,6,7hexahydro-s-indacene, C~26~H~46~O~4~Si~4~","Zeitschrift für Kristallographie - New Crystal Structures","2001","216","3","363","364","","","","","","","","","","","","","","","","","","","","","","has coordinates","202018","2020-10-21","18:00:00","" "8100998","10.397","0.002","18.217","0.004","17.935","0.003","90","","100.45","0.02","90","","3340.6","1.1","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C26 H46 O4 Si4 -","- C26 H46 O4 Si4 -","- C104 H184 O16 Si16 -","4","1","","Tinant, Bernard; Declercq, Jean-Paul; Bouillon, Jean-Philippe; Portella, Charles","Crystal structure of meso 1,7-bis(trimethylsilylcarbonyl)-2,6-dihydroxy- 2,6-bis(trimethylsilyl)-1,2,3,5,6,7-hexahydro-s-indacene, C~26~H~46~O~4~Si~4~","Zeitschrift für Kristallographie - New Crystal Structures","2001","216","3","365","366","","","","","","","","","","","","","","","","","","","","","","has coordinates","202018","2020-10-21","18:00:00","" "8100999","17.0133","0.0005","4.869","0.003","17.096","0.005","90","","93.4","0.02","90","","1413","1","296.2","","296.2","","","","","","","","","4","P -1","-P 1","2","","","","- C40 H26 N2 O4 -","- C20 H13 N O2 -","- C40 H26 N2 O4 -","2","1","","Mizuguchi, Jin; Tojo, Kaoru","Crystal structure of N,N'-bis(3,5-xylyl)perylene-3,4:9,10-bis(dicarboximide), C~40~H~26~N~2~O~4~","Zeitschrift für Kristallographie - New Crystal Structures","2001","216","3","375","376","","","","","","","","0.0497","","","0.0768","","","","","","","","","","","has coordinates","176728","2020-10-21","18:00:00","" "8101000","18.971","0.002","4.916","0.003","14.401","0.002","90","","119.89","0.009","90","","1164.3","0.6","273","","273","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","Magnesiumphthalocyanine","","","- C32 H16 Mg N8 -","- C32 H16 Mg N8 -","- C64 H32 Mg2 N16 -","2","0.5","","Mizuguchi, Jin","Crystal structure of magnesiumphthalocyanine, C~32~H~16~N~8~Mg","Zeitschrift für Kristallographie - New Crystal Structures","2001","216","3","377","378","","","","","","","","0.0469","","","0.0699","","","","","","","","","","","has coordinates","176466","2020-10-21","18:00:00","" "8101001","11.0473","0.0009","7.5605","0.0006","17.162","0.001","90","","90.105","0.002","90","","1433.4","0.2","296.7","","296","1","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C11 H16 Fe N O8 -","- C11 H16 Fe N O8 -","- C44 H64 Fe4 N4 O32 -","4","1","","Shan, Yongkui; Huang, Songping D.","Crystal structure of bis(R-(+)-1-phenylethylammonium) tetraaquatrioxolatodiferrate, [C~6~H~5~CH(CH~3~)NH~3~]~2~[Fe~2~(C~2~O~4~)~3~(H~2~O)~4~]","Zeitschrift für Kristallographie - New Crystal Structures","2001","216","3","373","374","","","","","","","","","","","","","","","","","","","","","","has coordinates","198679","2020-10-21","18:00:00","" "8101002","6.3625","0.0001","16.8205","0.0002","15.819","0.0002","90","","92.44","","90","","1691.43","0.04","173","2","173","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C11 H14 F6 N2 O5 S2 -","- C11 H14 F6 N2 O5 S2 -","- C44 H56 F24 N8 O20 S8 -","4","2","","Yao, Qingwei; Zheng, Chong; Li, Shoujian","Crystal structure of (R,R)-N,N'-(2-oxo-1,3-propanediyl)-N,N'-bis (trifluoromethylsulfonyl)-1,2-cyclohexanediamine, C~11~H~14~F~6~N~2~O~5~S~2~","Zeitschrift für Kristallographie - New Crystal Structures","2001","216","3","338","340","","","","","","","","","","","","","","","","","","","","","","has coordinates","202018","2020-10-21","18:00:00","" "8101003","8.888","0.002","14.723","0.004","16.748","0.004","90","","104.683","0.006","90","","2120.1","0.9","110","2","110","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C12 H9 Bi N7 O9.5 S4 -","- C12 H9 Bi N7 O9.5 S4 -","- C48 H36 Bi4 N28 O38 S16 -","4","0.5","","Morsali, A.; Tadjarodi, A.; Mohammadi, R.; Mahjoub, A.","Crystal structure of bis(4,4'-bithiazole)bismuth(III) trinitrate hemihydrate, Bi(C~6~H~4~N~2~S~2~)~2~(NO~3~)~3~ · 0.5H~2~O","Zeitschrift für Kristallographie - New Crystal Structures","2001","216","3","379","380","","","","","","","","0.0358","","","0.0781","","","","","","","","","","","has coordinates","176466","2020-10-21","18:00:00","" "8101004","8.215","0.002","9.826","0.003","21.721","0.006","94.987","0.007","96.316","0.006","90.005","0.006","1735.9","0.8","153","2","153","2","","","","","","","","4","P 1","P 1","1","","","","- C16 H18 N2 O9 -","- C16 H18 N2 O9 -","- C64 H72 N8 O36 -","4","4","","Dai, Qing; Piccirilli, Joseph A.; Zheng, Chong; Li, Shoujian","Crystal structure of 3',5'-di-O-acetyl-2'-C-α-acetyl-oxymethyl- 2,2'-anhydro-1-(β-D-arabinofuranosyl)uracil, C~16~H~18~N~2~O~9~","Zeitschrift für Kristallographie - New Crystal Structures","2001","216","3","343","346","","","","","","","","","","","","","","","","","","","","","","has coordinates","202018","2020-10-21","18:00:00","" "8101005","7.2843","0.0003","10.8584","0.0008","24.407","0.002","90","","90","","90","","1930.5","0.2","296.2","","296.2","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C20 H20 N4 O6 -","- C20 H20 N4 O6 -","- C80 H80 N16 O24 -","4","1","","Muthuraman, M.; Nicoud, J.-F.; Masse, R.; Desiraju, Gautam R.","Crystal structure of N,N'-di-5-nitrosalicylidene-(R,R)-1,2-cyclohexanediamine, C~20~H~20~N~4~O~6~","Zeitschrift für Kristallographie - New Crystal Structures","2001","216","3","381","382","","","","","","","","","","","","","","","","","","","","","","has coordinates","176466","2020-10-21","18:00:00","" "8101006","9.1865","0.0004","10.7102","0.0007","19.865","0.001","90","","92.099","0.003","90","","1953.2","0.2","296.2","","296.2","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C20 H20 N4 O6 -","- C20 H20 N4 O6 -","- C80 H80 N16 O24 -","4","1","","Mathuraman, M.; Nicoud, J.-F.; Masse, R.; Desiraju, G. R.","Crystal structure of N,N'-di-5-nitrosalicylidene-(R,S)-1,2-cyclohexanediamine, C~20~H~20~N~4~O~6~","Zeitschrift für Kristallographie - New Crystal Structures","2001","216","3","383","384","","","","","","","","","","","","","","","","","","","","","","has coordinates","176466","2020-10-21","18:00:00","" "8101007","28.492","0.001","14.8423","0.0007","23.741","0.001","90","","124.109","0.001","90","","8312.6","0.7","296","1","296","1","","","","","","","","6","C 1 2/c 1","","","","","","- C40 H80 Cl Na4 O58 V15 -","- C40 H80 Cl Na4 O58 V15 -","- C160 H320 Cl4 Na16 O232 V60 -","4","0.5","","Yongkui, Shan; Songping, D. Huang","Crystal structure of tetra[(15-crown-5)sodium] pentadecavanadate chloride dihydrate, (NaC~10~H~20~O~5~)~4~(ClV~15~O~36~) · 2H~2~O","Zeitschrift für Kristallographie - New Crystal Structures","2001","216","3","370","372","","","","","","","","","","","","","","","","","","","","","","has coordinates","281833","2023-03-13","08:08:53","" "8101008","6.811","0.005","10.095","0.005","19.343","0.005","90","0.005","90","0.005","90","0.005","1330","1.2","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C4 H15 Al3 F12 N2 O -","- C4 H15 Al3 F12 N2 O -","- C16 H60 Al12 F48 N8 O4 -","4","1","","Dadachov, Mike S.; Tang, Liqiu; Zou, Xiaodong","Crystal structure of piperazine oxonium dodecafluorotrialuminate, (C~4~H~12~N~2~)(H~3~O)[Al~3~F~12~]","Zeitschrift für Kristallographie - New Crystal Structures","2001","216","3","385","386","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00","" "8101009","6.684","0.005","8.215","0.005","8.345","0.005","84.733","0.005","85.25","0.005","86.692","0.005","454.1","0.5","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C5 H8.5 F5.5 N O Ti -","- C10 H17 F11 N2 O2 Ti2 -","- C10 H17 F11 N2 O2 Ti2 -","1","0.5","","Tang, L.Q.; Dadachov, M.S.; Zou, X.D.","Crystal structure of dipyridine oxonium undecafluorodititanate hydrate, (C~5~H~6~N)~2~(H~3~O)[Ti~2~F~11~] · H~2~O","Zeitschrift für Kristallographie - New Crystal Structures","2001","216","3","387","388","","","","","","","","","","","","","","","","","","","","","","has coordinates","176466","2020-10-21","18:00:00","" "8101010","11.154","0.0007","12.936","0.001","13.844","0.0014","70.54","0.009","65.15","0.01","73.4","0.008","1684.1","0.2","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C16 H21 N O5 -","- C16 H21 N O5 -","- C64 H84 N4 O20 -","4","2","","Tinant, Bernard; Ntirampebura, Deogratias; Ghosez, Léon","Crystal structure of (2R*,5S*,6S*)-2-isopropoxy-4-oxo-4-phenyl-tetrahydro- 2H-1,3-oxazine-6-ethylcarboxylate, C~16~H~21~NO~5~","Zeitschrift für Kristallographie - New Crystal Structures","2001","216","3","367","369","","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","130149","2020-10-21","18:00:00","" "8101011","8.022","0.001","7.982","0.001","10.842","0.001","79.714","0.001","72.986","0.001","67.265","0.001","610.58","0.12","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C12 H8 Cl2 O2 S -","- C12 H8 Cl2 O2 S -","- C24 H16 Cl4 O4 S2 -","2","1","","Bibila, Y.; Kakou-Yao, R.; Degny, E.; Ebby, N.; Aycard, J. P.","Crystal structure of 1-(2',6'-dichlorophenylhydroxy)-2-thia-cyclopentane, C~12~H~8~Cl~2~O~2~S","Zeitschrift für Kristallographie - New Crystal Structures","2001","216","3","393","394","","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","130149","2020-10-21","18:00:00","" "8101012","10.285","0.002","10.8","0.003","19.286","0.005","87.184","0.014","89.529","0.015","74.638","0.011","2063.2","0.9","213","2","213","2","","","","","","","","5","P -1","-P 1","2","","","","- C48 H40 O8 P2 S2 -","- C48 H40 O8 P2 S2 -","- C96 H80 O16 P4 S4 -","2","1","","Staples, Richard J.","Crystal structure of tetraphenyl phosphonium sulfate, C~48~H~40~O~8~P~2~S~2~","Zeitschrift für Kristallographie - New Crystal Structures","2001","216","3","395","396","","","","","","","","","","","","","","","","","","","","","","has coordinates","202018","2020-10-21","18:00:00","" "8101013","24.6","0.016","6.883","0.008","11.327","0.003","90","","91.2","0.04","90","","1917","3","297","2","297","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C19 H22 N2 O4 S2 -","- C19 H22 N2 O4 S2 -","- C76 H88 N8 O16 S8 -","4","0.5","","Wattenbach, Carsten; Frauenrath, Herbert; Palme-König, Rouven; Müller, Ulrich","Crystal structure of 1,3-bis(toluene-4-sulfonyl)-2,3,4,7-tetrahydro- 1H-1,3-diazepine, C~19~H~22~N~2~O~4~S~2~","Zeitschrift für Kristallographie - New Crystal Structures","2001","216","3","397","398","","","","","","","","","","","","","","","","","","","","","","has coordinates","176728","2020-10-21","18:00:00","" "8101014","11.284","0.001","10.093","0.001","12.756","0.001","90","","100.2","0.01","90","","1429.8","0.2","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C12 H14 N2 O6 S -","- C12 H14 N2 O6 S -","- C48 H56 N8 O24 S4 -","4","1","","Wattenbach, Carsten; Flock, Susanne; Frauenrath, Herbert; Palme-König, Rouven; Müller, Ulrich","Crystal structure of N-(2,5-dimethyl-4H-1,3-dioxin-4-yl)-4-nitro- benzenesulfonamide, C~12~H~14~N~2~O~6~S","Zeitschrift für Kristallographie - New Crystal Structures","2001","216","3","399","400","","","","","","","","","","","","","","","","","","","","","","has coordinates","202018","2020-10-21","18:00:00","" "8101015","9.5315","0.0007","10.661","0.002","18.153","0.002","90","","93.659","0.008","90","","1840.9","0.4","243","2","243","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C17 H25 N O4 S -","- C17 H25 N O4 S -","- C68 H100 N4 O16 S4 -","4","1","","Wattenbach, Carsten; Flock, Susanne; Frauenrath, Herbert; Palme-König, Rouven; Müller, Ulrich","Crystal structure of N-(2-tert-butyl-5-ethyl-4H-1,3-dioxin-4-yl)-4- methyl-benzenesulfonamide, C~17~H~25~NO~4~S","Zeitschrift für Kristallographie - New Crystal Structures","2001","216","3","401","402","","","","","","","","","","","","","","","","","","","","","","has coordinates","202018","2020-10-21","18:00:00","" "8101016","10.775","0.004","10.775","0.004","12.572","0.002","90","","90","","90","","1459.6","0.9","293","2","293","2","","","","","","","","5","P 43","P 4cw","78","","","","- C13 H16 N3 O3 P -","- C13 H16 N3 O3 P -","- C52 H64 N12 O12 P4 -","4","1","","Paixão, J. A.; Matos Beja, A.; Ramos Silva, M.; Alte da Veiga, L.","Crystal structure of N,N'-diphenylguanidinium dihydrogenphosphite, (C~13~H~14~N~3~)(H~2~PO~3~)","Zeitschrift für Kristallographie - New Crystal Structures","2001","216","3","416","418","","","","","","","","","","","","","","","","","","","","","","has coordinates","202018","2020-10-21","18:00:00","" "8101017","7.7789","0.0008","10.7273","0.0011","11.0853","0.0012","62.925","0.01","89.404","0.01","80.601","0.009","810.45","0.15","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C22 H12 F6 N6 O14 Re2 S2 -","- C22 H12 F6 N6 O14 Re2 S2 -","- C22 H12 F6 N6 O14 Re2 S2 -","1","0.5","","Aechter, Bernd; Polborn, Kurt; Beck, Wolfgang","Crystal structure of μ-2,2'-bipyrimidine-octacarbonyl-dirhenium(I) bis(trifluoromethanesulfonate) bis(acetonitrile), (C~16~H~6~N~4~O~8~Re~2~) (CF~3~O~3~S)~2~(C~2~H~3~N)~2~","Zeitschrift für Kristallographie - New Crystal Structures","2001","216","3","405","406","","","","","","","","0.0197","","","0.061","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00","" "8101018","11.798","0.003","10.664","0.002","15.565","0.004","90","","98.81","0.02","90","","1935.2","0.8","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C26 H24 F6 N6 O12 Re2 S2 -","- C26 H24 F6 N6 O12 Re2 S2 -","- C52 H48 F12 N12 O24 Re4 S4 -","2","0.5","","Polborn, Kurt; Aechter, Bernd; Beck, Wolfgang","Crystal structure of μ-2,2'-bipyrimidine-hexacarbonyl-bis(t-butyl-isocyanide)- dirhenium(I) bis(trifluoromethanesulfonate), (C~24~H~24~N~6~O~6~Re~2~)(CF~3~O~3~S)~2~","Zeitschrift für Kristallographie - New Crystal Structures","2001","216","3","407","408","","","","","","","","0.0404","","","0.0761","","","","","","","","","","","has coordinates","176728","2020-10-21","18:00:00","" "8101019","13.573","0.003","14.305","0.003","19.344","0.005","90","0.02","95.07","0.02","90","0.02","3741.1","1.5","293","2","293","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C35 H33 F3 N O6 P2 Re S -","- C35 H33 F3 N O6 P2 Re S -","- C140 H132 F12 N4 O24 P8 Re4 S4 -","4","1","","Polborn, Kurt; Aechter, Bernd; Beck, Wolfgang","Crystal structure of t-butylisocyanide-tricarbonyl-bis(1,2- diphenylphosphinoethane)-rhenium(I) trifluoromethanesulfonate, (C~34~H~33~NO~3~P~2~Re)(CF~3~O~3~S)","Zeitschrift für Kristallographie - New Crystal Structures","2001","216","3","413","415","","","","","","","","0.0337","","","0.1007","","","","","","","","","","","has coordinates,has disorder","176728","2020-10-21","18:00:00","" "8101020","15.267","0.002","12.554","0.002","19.924","0.003","90","0.012","111.876","0.012","90","0.011","3543.7","0.9","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C22 H15 F6 N7 O12 Re2 S2 -","- C22 H15 F6 N7 O12 Re2 S2 -","- C88 H60 F24 N28 O48 Re8 S8 -","4","1","","Aechter, Bernd; Polborn, Kurt; Beck, Wolfgang","Crystal structure of μ-2,2'-bipyrimidine-bis(acetonitrile)-hexacarbonyl- dirhenium(I) bis(trifluoromethanesulfonate) acetonitrile, (C~18~H~12~N~6~O~6~Re~2~)(CF~3~O~3~S)~2~(C~2~H~3~N)","Zeitschrift für Kristallographie - New Crystal Structures","2001","216","3","409","410","","","","","","","","0.0406","","","0.0829","","","","","","","","","","","has coordinates","176728","2020-10-21","18:00:00","" "8101021","7.949","0.002","10.966","0.003","14.947","0.002","104.62","0.02","101.89","0.02","93.47","0.02","1225","0.5","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C17 H12 F3 N5 O6.5 Re S -","- C17 H12 F3 N5 O6.5 Re S -","- C34 H24 F6 N10 O13 Re2 S2 -","2","1","","Aechter, Bernd; Polborn, Kurt; Beck, Wolfgang","Crystal structure of 2,2'-bipyrimidine-tricarbonyl-pyridine-rhenium (I) trifluoromethanesulfonate hemihydrate, (C~16~H~11~N~5~O~3~Re) (CF~3~O~3~S) · 0.5H~2~O","Zeitschrift für Kristallographie - New Crystal Structures","2001","216","3","411","412","","","","","","","","0.0368","","","0.0829","","","","","","","","","","","has coordinates","176466","2020-10-21","18:00:00","" "8101022","5.956","0.001","6.392","0.001","11.23","0.001","104.17","0.01","91.55","0.01","100.2","0.01","406.86","0.1","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C4 H9 Na O7 -","- C4 H9 Na O7 -","- C8 H18 Na2 O14 -","2","1","","Zheng, Yue-Qing; Kong, Zu-Ping; Lin, Jian-Li","Refinement of the crystal structure of sodium hydrogen maleate trihydrate, NaH(C~4~H~2~O~4~) · 3H~2~O, at room
temperature","Zeitschrift für Kristallographie - New Crystal Structures","2001","216","3","355","356","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00","" "8101023","16.0635","0.0014","5.925","0.0003","23.105","0.002","90","","108.788","0.01","90","","2081.9","0.3","200","3","200","3","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Methyl ferrocene monocarboxylate","","","- C12 H12 Fe O2 -","- C12 H12 Fe O2 -","- C96 H96 Fe8 O16 -","8","2","","Beck, Wolfgang; Woisetschläger, Oliver E.; Mayer, Peter","Crystal structure of methyl ferrocenemonocarboxylate, [Fe(C~5~H~5~) (C~5~H~4~C~2~O~2~H~3~)]","Zeitschrift für Kristallographie - New Crystal Structures","2001","216","3","403","404","","","","","","","","","","","","","","","","","","","","","","has coordinates","176466","2020-10-21","18:00:00","" "8101024","21.006","0.004","14.558","0.003","6.9119","0.0004","90","","90","","90","","2113.7","0.6","293","2","293","2","","","","","","","","5","P b c n","-P 2n 2ab","60","2,6-diacetylpyridine-bis-(acetylhydrazone) copper(II)","","","- C13 H23 Cu N7 O11 -","- C13 H23 Cu N7 O11 -","- C52 H92 Cu4 N28 O44 -","4","0.5","","Diouf, Ousmane; Gaye, Mohamed; Sall, Abdou S.; Tamboura, Farba; Barry, Aliou H.; Jouini, Tahar","Crystal structure of diaqua-2,6-diacetylpyridine-bis(acetylhydrazone) copper(II) complex dinitrate hydrate, [Cu(C~13~H~17~N~5~O~2~)(H~2~O) ~2~](NO~3~)~2~ · H~2~O","Zeitschrift für Kristallographie - New Crystal Structures","2001","216","3","421","422","","","","","","","","","","","","","","","","","","","","","","has coordinates","277875","2022-09-15","11:59:41","" "8101025","8.9363","0.0004","22.9584","0.0015","15.9613","0.0008","90","","98.707","0.005","90","","3236.9","0.3","193","2","193","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C29 H56 Li2 N6 O -","- C29 H56 Li2 N6 O -","- C116 H224 Li8 N24 O4 -","4","1","","Demy'anov, Piotr; Marsch, Michael; Harms, Klaus; Boche, Gernot","Crystal structure of (2PMDETA)-dilithium-1-(cyclononatetraenyl)-enolate, C~29~H~56~Li~2~N~6~O","Zeitschrift für Kristallographie - New Crystal Structures","2001","216","3","423","424","10.1524/ncrs.2001.216.14.445","","","","","","","0.038","","","0.092","","","","","","","","","","","has coordinates","178048","2020-10-21","18:00:00","" "8101026","13.3352","0.0006","10.284","0.0007","16.653","0.0007","90","","103.989","0.005","90","","2216","0.2","193","2","193","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C16 H20 Br4 N6 Ni -","- C16 H20 Br4 N6 Ni -","- C64 H80 Br16 N24 Ni4 -","4","0.5","","Hassani, Kamal; Marsch, Michael; Harms, Klaus; Boche, Gernot","Crystal structure of 2-(1,3-dimethylbenzotriazolium) nickeltetrabromide, (C~8~H~10~N~3~)~2~NiBr~4~","Zeitschrift für Kristallographie - New Crystal Structures","2001","216","3","425","426","10.1524/ncrs.2001.216.14.447","","","","","","","","","","","","","","","","","","","","","has coordinates","183976","2020-10-21","18:00:00","" "8101028","11.14","0.001","17.859","0.001","12.998","0.001","90","","100.513","0.009","90","","2542.5","0.3","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C24 H16 N7 O9 Y -","- C24 H16 N7 O9 Y -","- C96 H64 N28 O36 Y4 -","4","0.5","","Zheng, Yue-Qing; Zhou, Lin-Xia; Lin, Jian-Li; Zhang, Sun-Wei","Crystal structure of tris(nitrato-O,O')-bis(1,10-phenanthroline-N,N')- yttrium(III), Y(phen)~2~(NO~3~)~3~","Zeitschrift für Kristallographie - New Crystal Structures","2001","216","3","357","358","","","","","","","","","","","","","","","","","","","","","","has coordinates","176728","2020-10-21","18:00:00","" "8101029","9.267","0.003","11.241","0.004","17.773","0.004","107.86","0.02","104.94","0.02","71.81","0.03","1647.1","1","296.2","","296.2","","","","","","","","","5","P -1","-P 1","2","","","","- C48 H84 N6 O24 P6 -","- C48 H84 N6 O24 P6 -","- C48 H84 N6 O24 P6 -","1","0.5","","Khederi, Lamia; Marouani, Houda; Rzaigui, Mohamed","Crystal structure of 3,5-dimethyl-phenylammonium cyclohexaphosphate hexahydrate, (C~8~H~12~N)~6~(P~6~O~18~) · 6H~2~O","Zeitschrift für Kristallographie - New Crystal Structures","2001","216","3","429","430","","","","","","","","","","","","","","","","","","","","","","has coordinates","193981","2020-10-21","18:00:00","" "8101030","7.982","0.005","7.652","0.002","17.154","0.002","93.83","0.02","91.93","0.04","63.56","0.04","936.2","0.6","296.2","","296.2","","","","","","","","","5","P -1","-P 1","2","","","","- C32 H48 N4 O12 P4 -","- C32 H48 N4 O12 P4 -","- C32 H48 N4 O12 P4 -","1","0.5","","Hemissi, Hanene; Abid, Sonia; Rzaigui, Mohamed","Crystal structure of 3,4-dimethyl-phenylammonium cyclotetraphosphate, (C~8~H~12~N)~4~(P~4~O~12~)","Zeitschrift für Kristallographie - New Crystal Structures","2001","216","3","431","432","","","","","","","","","","","","","","","","","","","","","","has coordinates","176466","2020-10-21","18:00:00","" "8101031","8.51","0.005","11.084","0.005","9.224","0.005","90","0.005","97.059","0.005","90","0.005","863.5","0.8","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C4 H14 Al F5 N2 O -","- C4 H14 Al F5 N2 O -","- C16 H56 Al4 F20 N8 O4 -","4","1","","Tang, L. Q.; Dadachov, M. S.; Zou, X. D.","Crystal structure of dipiperazine decafluorodialuminium dihydrate, (C~4~H~12~N~2~)~2~[Al~2~F~10~] · 2H~2~O","Zeitschrift für Kristallographie - New Crystal Structures","2001","216","3","389","390","","","","","","","","","","","","","","","","","","","","","","has coordinates","176728","2020-10-21","18:00:00","" "8101032","10.577","0.005","7.317","0.005","11.598","0.005","90","0.005","99.168","0.005","90","0.005","886.1","0.8","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C4 H12 F6 N2 Si -","- C4 H12 F6 N2 Si -","- C16 H48 F24 N8 Si4 -","4","0.5","","Tang, L. Q.; Dadachov, M. S.; Zou, X. D.","Crystal structure of piperazine hexafluorosilicate, (C~4~N~2~H~12~)[SiF~6~]","Zeitschrift für Kristallographie - New Crystal Structures","2001","216","3","391","392","","","","","","","","","","","","","","","","","","","","","","has coordinates","176728","2020-10-21","18:00:00","" "8101033","7.767","0.001","7.766","0.001","11.052","0.002","81.98","0.01","69.68","0.01","70.28","0.01","588.3","0.15","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C8 H8 F6 O6 -","- C8 H8 F6 O6 -","- C16 H16 F12 O12 -","2","1","","Röschenthaler, G.-V.; Loop, I.; Lork, E.; Seifert, F. U.","Crystal structure of (R,R)-dimethyl 1,2-dihydroxy-1,2-bis(trifluoromethyl) succinate, C~8~H~8~F~6~O~6~","Zeitschrift für Kristallographie - New Crystal Structures","2001","216","3","433","434","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00","" "8101034","9.43","0.06","38.6","0.3","9.98","0.08","89.9","0.7","108.2","1","90","1","3454","47","293.2","","293.2","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C39 H30 Br O3 P2 Re -","- C39 H30 Br O3 P2 Re -","- C156 H120 Br4 O12 P8 Re4 -","4","1","","Horn, E.; Onai, S.","Crystal structure of cis-bis(triphenylphosphine)-fac-(tricarbonyl)- rhenium(I) bromide, Re(CO)~3~(C~18~H~15~P)~2~Br","Zeitschrift für Kristallographie - New Crystal Structures","2001","216","3","454","456","","","","","","","","0.0568","","","0.0646","","","","","","","","","","","has coordinates","176466","2020-10-21","18:00:00","" "8101035","19.522","0.008","21.932","0.004","10.45","0.002","90","","90","","90","","4474","2","173","","173","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C21 H26 Cl Hg N3 S2 -","- C21 H26 Cl Hg N3 S2 -","- C168 H208 Cl8 Hg8 N24 S16 -","8","1","","Tiekink, E. R. T.","Crystal structure of the 1,10-phenanthroline adduct of chloro-(di- n-butyldithiocarbamato)mercury(II), C~21~H~26~ClHgN~3~S~2~","Zeitschrift für Kristallographie - New Crystal Structures","2001","216","3","439","440","10.1524/ncrs.2001.216.14.461","","","","","","","","","","","","","","","","","","","","","has coordinates","134159","2020-10-21","18:00:00","" "8101036","30.227","0.001","15.1401","0.0003","26.4571","0.0005","90","","102.365","0.004","90","","11827","1","173","","173","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C204 H214 Au4 Cl44 O9 P8 Pt2 -","- C204 H196 Au4 Cl44 O9 P8 Pt2 -","- C408 H392 Au8 Cl88 O18 P16 Pt4 -","2","0.5","","Dieleman, Cedric; Jeunesse, Catherine; Matt, Dominique","Crystal structure of tetrachloro-5,11,17,23-tetra-tert-butyl-{[cis-(P,P)-25, 26-bis(diphenylphosphinomethoxy)]-
(P,P)-27,28-bis(diphenylphosphinomethoxy) calix[4]arene}platinum(II)digold(I) hexachloroform hemihydrate, C~96~H~100~C~l4~O~4~P~4~Au~2~Pt · 6CHCl~3~ · 1/2H~2~O, an evidence for a weak CH‒platinum interaction","Zeitschrift für Kristallographie - New Crystal Structures","2001","216","3","435","438","","","","","","","","","","","","","","","","","","","","","","has coordinates","176728","2020-10-21","18:00:00","" "8101037","8.111","0.002","15.993","0.004","10.344","0.004","90","","102.56","0.02","90","","1309.8","0.7","173","","173","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C18 H44 Cl2 Cu N4 O10 -","- C18 H44 Cl2 Cu0.5 N4 O10 -","- C36 H88 Cl4 Cu N8 O20 -","2","0.5","","Hazari, S. K. S.; Roy, T. G.; Dey, B. K.; Miah, H. A.; Dutta, S.; Tiekink, E. R. T.","Refinement of the crystal structure of diaqua-(3,10-C-meso-3,5,7,7, 10,12,14,14-octamethyl-1,4,8,11-tetraazacyclotetradecane)copper(II) diperchlorate , [Cu(C~18~H~40~N~4~)(H~2~O)~2~](ClO~4~)~2~, at 173 K","Zeitschrift für Kristallographie - New Crystal Structures","2001","216","3","441","442","","","","","","","","","","","","","","","","","","","","","","has coordinates","176466","2020-10-21","18:00:00","" "8101038","7.68","0.002","10.621","0.001","9.975","0.002","90","","107.42","0.01","90","","776.3","0.3","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C5 H9.5 Br1.5 N O -","- C10 H19 Br3 N2 O2 -","- C20 H38 Br6 N4 O4 -","2","0.5","","Bekaert, A.; Barberan, O.; Kaloun, E. B.; Danan, A.; Brion, J. D.; Lemoine, L.; Viossat, B.","Crystal structure of N-methylpyrrolidone-2-one-N-methylpyrrolidine- 2-onium perbromide, C~10~H~19~Br~3~N~2~O~2~","Zeitschrift für Kristallographie - New Crystal Structures","2001","216","3","457","458","","","","","","","","","","","","","","","","","","","","","","has coordinates","176466","2020-10-21","18:00:00","" "8101039","9.2308","0.001","5.379","0.0007","14.1941","0.001","90","","99.528","0.007","90","","695.05","0.13","","","243","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H12 O4 S -","- C16 H12 O4 S -","- C32 H24 O8 S2 -","2","0.5","","Santos, Regina H.A.; Malta, Valéria R.S.; De Simone, Carlos A.; Pereira, Mariano A.; Goulart, Marília O.F.; De Abreu, F.C.","Crystal structure of 4,9-diacetoxynaphtho[2,3-b]thiophen, C~16~H~12~O~4~S","Zeitschrift für Kristallographie - New Crystal Structures","2001","216","3","459","460","","","","","","","","0.0504","","","0.1404","","","","","","","","","","","has coordinates,has disorder","176466","2020-10-21","18:00:00","" "8101040","20.962","0.001","15.823","0.001","33.817","0.001","90","","92.347","0.001","90","","11207.1","0.9","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C22 H38 Mo O6 -","- C22 H38 Mo O6 -","- C352 H608 Mo16 O96 -","16","4","","Nass, Michael; Schürmann, Markus; Preut, Hans; Krause, Norbert","Crystal structure of cis-dioxobis(2,2,6,6-tetramethyl-3,5-heptandionato)- molybdenum(VI), C~22~H~38~MoO~6~","Zeitschrift für Kristallographie - New Crystal Structures","2001","216","3","461","464","","","","","","","","","","","","","","","","","","","","","","has coordinates","176728","2020-10-21","18:00:00","" "8101041","6.469","0.004","12.193","0.003","18.2","0.004","90","","98.33","0.04","90","","1420.4","0.9","293","","293","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H17 N O3 S2 -","- C12 H17 N O3 S2 -","- C48 H68 N4 O12 S8 -","4","1","","Creaser, S. P.; Pyke, S. M.; Tiekink, E. R. T.","Crystal structure of N1-(1-oxohexahydro-1λ^6^-thiopyran-1-yliden)- 1-benzenesulfonamide, C~12~H~17~NO~3~S~2~","Zeitschrift für Kristallographie - New Crystal Structures","2001","216","3","447","448","","","","","","","","","","","","","","","","","","","","","","has coordinates","176466","2020-10-21","18:00:00","" "8101042","34.05","0.01","7.492","0.004","12.87","0.008","90","","107.24","0.03","90","","3135","3","293","","293","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C14 H21 N O4 S2 -","- C14 H21 N O4 S2 -","- C112 H168 N8 O32 S16 -","8","1","","Creaser, S. P.; Pyke, S. M.; Tiekink, E. R. T.","Crystal structure of N1-(4,4-dimethoxyhexahydro-1λ^6^-thiopyran- 1-yliden)-4-methyl-1-benzenesulfonamide, C~14~H~21~NO~4~S~2~","Zeitschrift für Kristallographie - New Crystal Structures","2001","216","3","449","450","","","","","","","","","","","","","","","","","","","","","","has coordinates","202018","2020-10-21","18:00:00","" "8101043","8.953","0.009","16.135","0.008","9.049","0.004","90","","104.9","0.06","90","","1263","1","113","","113","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C12 H17 N O2 S2 -","- C12 H17 N O2 S2 -","- C48 H68 N4 O8 S8 -","4","2","","Creaser, S. P.; Pyke, S. M.; Tiekink, E. R. T.","Crystal structure of N1-(hexahydro-1λ^6^-thiopyran-1-yliden)- 1-benzenesulfonamide, C~12~H~17~NO~2~S~2~","Zeitschrift für Kristallographie - New Crystal Structures","2001","216","3","445","446","","","","","","","","","","","","","","","","","","","","","","has coordinates","202018","2020-10-21","18:00:00","" "8101044","11.349","0.004","10.934","0.003","29.48","0.02","90","","96.18","0.04","90","","3637","2","223","","223","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C17 H25 N O4 S2 -","- C17 H25 N O4 S2 -","- C136 H200 N8 O32 S16 -","8","2","","Creaser, S. P.; Pyke, S. M.; Tiekink, E. R. T.","Crystal structure of N1-(3,3-dimethyl-9-oxo-1,5-dioxa-9λ^6^- thiaspiro[5.5]-undec-9-yliden)-1-benzenesulfonamide, C~17~H~25~NO~4~S~2~","Zeitschrift für Kristallographie - New Crystal Structures","2001","216","3","451","453","","","","","","","","","","","","","","","","","","","","","","has coordinates","176466","2020-10-21","18:00:00","" "8101045","10.726","0.002","34.928","0.007","15.263","0.003","90","","108.89","0.03","90","","5410.1","1.8","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C71 H46 N4 O3 -","- C71 H46 N4 O3 -","- C284 H184 N16 O12 -","4","1","","Fruzinski, Andrzej; Karolak-Wojciechowska, Janina; Alibert-Franco, Sandrin; Santelli-Rouvier, Cristian; Barbe, Jaques","Crystal structure of 11,12-dicyano-9,10-ethano-9,10-dihydroanthracene— acetone (2/1), (C~34~H~20~N~20~)~2~ · C~3~H~6~O","Zeitschrift für Kristallographie - New Crystal Structures","2001","216","3","471","473","","","","","","","","","","","","","","","","","","","","","","has coordinates","176466","2020-10-21","18:00:00","" "8101046","9.908","0.001","9.908","0.001","23.42","0.001","90","","90","","120","","1991","0.1","293","2","293","2","","","","","","","","5","P 3 1 c","P 3 -2c","159","tetramethylammonium bismuth iodide","","","- C12 H36 Bi2 I9 N3 -","- C12 H36 Bi2 I9 N3 -","- C24 H72 Bi4 I18 N6 -","2","0.333333","","Feldmann, Claus","Crystal structure of tris(tetramethylammonium) dibismuth nonaiodide, [N(CH~3~)~4~]~3~Bi~2~I~9~","Zeitschrift für Kristallographie - New Crystal Structures","2001","216","3","465","466","","","","","","","","","","","","","","","","","","","","","","has coordinates","198678","2020-10-21","18:00:00","" "8101047","9.3016","0.0008","10.626","0.0009","12.1986","0.001","90","","90","","90","","1205.7","0.18","298","2","298","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C6 H19 Al Cl2 N2 -","- C6 H19 Al Cl2 N2 -","- C24 H76 Al4 Cl8 N8 -","4","0.5","","Torrison, L.; Groy, T. L.; Kouvetakis, J.","Crystal structure of bis(trimethylamine) dichlorodeuteroalane, [N(CH~3~)~3~]~2~Cl~2~DAl","Zeitschrift für Kristallographie - New Crystal Structures","2001","216","3","467","468","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00","" "8101048","9.27","0.0019","9.3566","0.0019","10.827","0.002","76.17","0.03","74.97","0.03","80.39","0.03","875.2","0.3","298","2","298","2","","","","","","","","6","P -1","-P 1","2","[(phenyl)~3~PSe-AuBr]","","","- C18 H15 Au Br P Se -","- C18 H15 Au Br P Se -","- C36 H30 Au2 Br2 P2 Se2 -","2","1","","Hussain, M. S.; Isab, A. A.","Crystal structure of bromotri(phenyl)phosphineselenidegold(I), (C~6~H~7~) ~3~PSeAuBr","Zeitschrift für Kristallographie - New Crystal Structures","2001","216","3","479","480","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00","" "8101049","5.317","0.002","13.448","0.005","10.988","0.006","90","","93.89","0.04","90","","783.8","0.6","293","","293","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C7 H6 N2 S2 -","- C7 H6 N2 S2 -","- C28 H24 N8 S8 -","4","1","","Tsanaktsidis, J.; Tiekink, E. R. T.","Crystal structure of 1-amino-2-thionebenzothiazole, C~7~H~6~N~2~S~2~","Zeitschrift für Kristallographie - New Crystal Structures","2001","216","3","443","444","","","","","","","","","","","","","","","","","","","","","","has coordinates","202018","2020-10-21","18:00:00","" "8101050","8.769","0.005","9.5","0.003","18.916","0.008","90","","90","","90","","1575.8","1.2","294","2","294","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C18 H17 N5 -","- C18 H17 N5 -","- C72 H68 N20 -","4","1","","Borassi, A.; Di Braccio, M.; Grossi, G. C.; Izzo, G.; Mugnoli, A.","Crystal structure of N,N-dimethyl-1-phenyl-4H-[1,2,4]triazolo[4,3-a][1,5]- benzodiazepin-5-amine, C~18H~17N~5~","Zeitschrift für Kristallographie - New Crystal Structures","2001","216","3","474","476","","","","","","","","","","","","","","","","","","","","","","has coordinates","202018","2020-10-21","18:00:00","" "8101051","8.314","0.008","5.7765","0.001","18.68","0.006","90","","95.83","0.05","90","","892.4","0.9","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C3 H11 Cl2 Mn N O4 -","- C3 H11 Cl2 Mn N O4 -","- C12 H44 Cl8 Mn4 N4 O16 -","4","1","","Ramos Silva, M.; Matos Beja, A.; Paixão, J. A.; Alte da Veiga, L.","Crystal structure of catena-diaquadichloro-μ~2~-(methylglycine-O,O')- manganese(II), C~3~H~11~Cl~2~MnNO~4~","Zeitschrift für Kristallographie - New Crystal Structures","2001","216","3","419","420","","","","","","","","","","","","","","","","","","","","","","has coordinates","176728","2020-10-21","18:00:00","" "8101052","12.207","0.001","14.06","0.001","12.402","0.001","90","","118.659","0.006","90","","1867.8","0.3","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H22 Br2 O6 -","- C17 H22 Br2 O6 -","- C68 H88 Br8 O24 -","4","1","","Peters, Eva-Maria; Peters, Karl; Neumann, Matthias; Tochtermann, Werner","Crystal structure of dimethyl (1R*,2R*,3S*,4R*,6R*,7R*,9R*,13R*)-2, 13-dibromo-6-methoxy-5-oxatetracyclo[7.4.0.0^1,4^.0^3,7^]tridecane- 2,3-dicarboxylate, C~17~H~22~Br~2~O~6~","Zeitschrift für Kristallographie - New Crystal Structures","2001","216","3","469","470","","","","","","","","","","","","","","","","","","","","","","has coordinates","176728","2020-10-21","18:00:00","" "8101053","12.158","0.004","13.915","0.004","24.747","0.005","90","","90","","90","","4186.7","2.1","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C20 H23 Mn N2 O8 -","- C20 H23 Mn N2 O8 -","- C160 H184 Mn8 N16 O64 -","8","1","","Pauly, J.; Winter, M.; Hegetschweiler, K.; Hazenkamp, M. F.; Bachmann, F.; Dannacher, J.","Crystal structure of acetato-aqua-[N,N'-bis(4-methoxy-salicylidene) ethane-1,2-diaminato]-manganese(III) hydrate, C~20~H~23~MnN~2~O~7~ · H~2~O","Zeitschrift für Kristallographie - New Crystal Structures","2001","216","3","477","478","","","","","","","","0.0566","","","0.1128","","","","","","","","","","","has coordinates,has disorder","130149","2020-10-21","18:00:00","" "8101054","7.714","0.002","7.714","0.002","7.049","0.001","90","","90","","120","","363.26","0.14","293","2","293","2","","","","","","","","4","P 63/m m c","-P 6c 2c","194","cesium rubidium auride oxide","","","- Au Cs2 O Rb -","- Au Cs1.83 O Rb1.17 -","- Au2 Cs3.66 O2 Rb2.34 -","2","0.0833333","","Mudring, Anja-Verena; Jansen, Martin","Crystal structure of dicesium rubidium auride oxide, Cs~2~RbAuO","Zeitschrift für Kristallographie - New Crystal Structures","2001","216","3","325","325","","","","","","","","","","","","","","","","","","","","","","has coordinates","176466","2020-10-21","18:00:00","" "8101055","3.8956","0.0009","11.373","0.004","5.685","0.002","90","","90","","90","","251.9","0.1","293","2","293","2","","","","","","","","3","C m c m","","63","sodiumoxoaurate(III)","","","- Au Na O2 -","- Au Na O2 -","- Au4 Na4 O8 -","4","0.25","","Mudring, Anja-Verena; Jansen, Martin","Crystal structure of sodium aurate(III), NaAuO~2~","Zeitschrift für Kristallographie - New Crystal Structures","2001","216","3","326","326","","powder diffraction","","","","","","","","","","","","","","","","","","","","has coordinates","176466","2020-10-21","18:00:00","" "8101056","11.107","0.002","6.395","0.001","7.021","0.001","90","","121.17","0.03","90","","426.7","0.18","294","","294","","","","","","","","","2","C 1 c 1","C -2yc","9","","","","- Ga2 S3 -","- Ga2 S3 -","- Ga8 S12 -","4","1","","Jones, Camille Y.; Bryan, Jeffrey C.; Kirschbaum, Kristin; Edwards, Jimmie G.","Refinement of the crystal structure of digallium trisulfide, Ga~2~S~3~","Zeitschrift für Kristallographie - New Crystal Structures","2001","216","3","327","328","","","","","","","","","","","","","","","","","","","","","","has coordinates","176728","2020-10-21","18:00:00","" "8101057","9.5464","0.0006","9.5464","0.0006","9.5464","0.0006","90","","90","","90","","870","0.09","298","2","298","2","","","","","","","","4","I a -3","-I 2b 2c 3","206","","","","- Cu2 Ni O6 Te -","- Cu2.01 Ni0.99 O6 Te -","- Cu16.08 Ni7.92 O48 Te8 -","8","0.166667","","Wedel, Boris; Kimio, Itagaki; Sugiyama, Kazumasa","Crystal structure of dicopper nickel hexaoxotellurate, Cu~2~NiTeO~6~","Zeitschrift für Kristallographie - New Crystal Structures","2001","216","3","323","324","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00","" "8101058","9.126","0.002","9.001","0.002","13.543","0.003","90","","90","","90","","1112.5","0.4","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- Li2 Ni O8 S2 -","- Li2 Ni O8 S2 -","- Li16 Ni8 O64 S16 -","8","1","","Isasi, Josefa; Jaulmes, Sylvie","Crystal structure of dilithium nickel disulfate, Li~2~Ni(SO~4~)~2~","Zeitschrift für Kristallographie - New Crystal Structures","2001","216","3","331","332","","","","","","","","0.0362","","","0.0827","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00","" "8101059","3.1059","0.0005","3.1059","0.0005","4.9464","0.0009","90","","90","","120","","41.323","0.012","293","2","293","2","","","","","","","","2","P -3 m 1","-P 3 2""","164","tantalum hemicarbide","","","- C Ta2 -","- C Ta2 -","- C Ta2 -","1","0.0833333","","Lissner, Falk; Schleid, Thomas","Refinement of the crystal structure of ditantalum monocarbide, Ta~2~C","Zeitschrift für Kristallographie - New Crystal Structures","2001","216","3","329","330","","","","","","","","0.0113","","","0.0258","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00","" "8101060","6.7628","0.0013","7.2717","0.0013","8.4714","0.0016","100.87","0.02","113.54","0.02","92.18","0.02","372.1","0.12","123","2","123","2","","","","","","","","4","P -1","-P 1","2","","","","- H24 Li2 N8 Te2 -","- H24 Li2 N8 Te2 -","- H24 Li2 N8 Te2 -","1","0.5","","Korber, Nikolaus; Richter, Frank","Crystal structure of dilithium ditelluride—ammonia (1/8), [Li(NH~3~)~4~]~2~Te~2~","Zeitschrift für Kristallographie - New Crystal Structures","2001","216","3","333","334","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00","" "8101061","9.0953","0.0003","9.0953","0.0003","11.0291","0.0006","90","","90","","90","","912.3","0.1","293","2","293","2","","","","","","","","4","P 4/n c c :2","-P 4a 2ac","130","","","","- C2 H K5 N4 -","- C2 H K5 N4 -","- C8 H4 K20 N16 -","4","0.25","","Niewa, Rainer; Höhn, Peter; Kniep, Rüdiger; Weiske, Annette; Jacobs, Herbert","Crystal structure of pentapotassium dicarbodiimide monohydride, K~5~[CN~2~]~2~H","Zeitschrift für Kristallographie - New Crystal Structures","2001","216","3","335","336","10.1524/ncrs.2001.216.14.357","","","","","","","","","","","","","","","","","","","","","has coordinates","176728","2020-10-21","18:00:00","" "8101062","7.9268","0.0004","7.9268","0.0004","12.7656","0.0008","90","","90","","120","","694.65","0.07","293","2","293","2","","","","","","","","6","P 32 2 1","P 32 2""","154","Calcium thiocyanate tetrahydrate","","","- C6 H24 Ca3 N6 O12 S6 -","- C6 H24 Ca3 N6 O12 S6 -","- C6 H24 Ca3 N6 O12 S6 -","1","0.166667","","Held, Peter; Bohatý, Ladislav","Crystal structure of calcium dithiocyanate tetrahydrate, Ca(NCS)~2~ · 4H~2~O","Zeitschrift für Kristallographie - New Crystal Structures","2001","216","3","337","337","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00","" "8101063","22.275","0.006","36.758","0.009","11.059","0.002","90","","90","","90","","9055","4","293","2","293","2","","","","","","","","6","P m m n :2","-P 2ab 2a","59","","","","- C16 H112 Mo28 N20 Na4 O104 -","- C16 Mo28 N20 Na4 O104 -","- C32 Mo56 N40 Na8 O208 -","2","0.25","","Turpeinen, Urho; Mutikainen, Ilpo; Klinga, Martti; Hämäläinen, Reijo","Crystal structure of hexadecaammomium tetra[dimethyl(2-hydroxyethyl) ammonium] cyclo-tetrakis[sodium-μ-heptamolybdato(VI)-O',O'', O''':O'''',O''''',O''''''](5-) tetrawater, (NH~4~)~16~(C~4~H~12~NO) ~4~[NaMo~7~O~24~]~4~ · 4H~2~O","Zeitschrift für Kristallographie - New Crystal Structures","2001","216","4","515","516","","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","176728","2020-10-21","18:00:00","" "8101064","11.82","0.004","11.858","0.004","14.274","0.005","91.85","0.012","107.27","0.014","91.79","0.014","1907.7","1.1","113","2","113","2","","","","","","","","7","P -1","-P 1","2","","","","- C15 H35 Cl8 N5 O5 Re4 Te4 -","- C15 H35 Cl8 N5 O5 Re4 Te4 -","- C30 H70 Cl16 N10 O10 Re8 Te8 -","2","1","","Mironov, Yuri V.; Albrecht-Schmitt, Thomas E.; Smith, Donna M.; Ibers, James A.","Crystal structure of octachlorotetra(μ~3~-telluro) tetradimethylformamidotetrarhenium(IV)dimethylformamide, C~15~H~35~Cl~8~N~5~O~5~Re~4~Te~4~","Zeitschrift für Kristallographie - New Crystal Structures","2001","216","4","517","518","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00","" "8101065","12.233","0.0003","18.504","0.0008","16.306","0.0007","90","","90","","90","","3691","0.2","293","2","293","2","","","","","","","","6","C m c 21","C 2c -2","36","","","","- C21 H56 Cl2 Cu2 N6 O12 -","- C21 H30 Cl2 Cu2 N6 O12 -","- C84 H120 Cl8 Cu8 N24 O48 -","4","0.5","","Kaizer, József; Pap, József; Speier, Gábor; Réglier, Marius; Michel, Giorgi","Crystal structure of {(μ-carbonato)bis[3,3'-iminobis(N,N-dimethylpropyl- amine)]copper(II)} diperchlorate hydrate, [(Cu(idpa))~2~(CO~3~)](ClO~4~) ~2~ · H~2~O","Zeitschrift für Kristallographie - New Crystal Structures","2001","216","4","519","520","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00","" "8101066","11.262","0.001","12.57","0.001","24.942","0.001","86.895","0.004","83.7","0.004","69.307","0.003","3282.7","0.4","120","2","120","2","","","","","","","","5","P -1","-P 1","2","calix[4]arene-bpy-OCH2CH2OCH3","","","- C128 H160 Cl8 N4 O12 -","- C127.996 H160 Cl8 N3.996 O12 -","- C127.996 H160 Cl8 N3.996 O12 -","1","0.5","","Akine, S.; Sumitomo, K.; Nabeshima, T.","Crystal structure of 1^5^,8^5^,10^5^,12^5^,19^5^,21^5^,24^5^,27^5 ^-octa-t-butyl-10^2^,21^2^,24^2^,27^2^-tetrakis[(2-methoxy)ethoxy]- 2,7,13,18-tetraoxa-4,15(5,2),5,16(2,5)-tetrapyridina-1,8,19(2,1,3), 12(1,2,3),10,21,24,27(1,3)-dodecabenzenatricyclo[17.3.3.3^8,12^]-octacosaphane tetrakis(dichloromethane), (C~124~H~152~N~4~O~12~)(CH~2~Cl~2~)~4~","Zeitschrift für Kristallographie - New Crystal Structures","2001","216","4","521","524","","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","130149","2020-10-21","18:00:00","" "8101067","8.8392","0.0007","23.045","0.0019","10.1682","0.0008","90","","115.178","0.002","90","","1874.5","0.3","223","2","223","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C21 H30 O3 -","- C21 H30 O3 -","- C84 H120 O12 -","4","1","","Lentz, D; Nandanan, E.; Reissig, H.-U.","Crystal structure of methyl 6S*,8S*-9-butyl-8-hydroxy-8-isopropyl- 5,6,7,8-tetrahydrobenzocyclooctene-6-carboxylate, C~21~H~30~O~3~","Zeitschrift für Kristallographie - New Crystal Structures","2001","216","4","525","526","","","","","","","","","","","","","","","","","","","","","","has coordinates","176728","2020-10-21","18:00:00","" "8101068","10.6605","0.0012","7.201","0.0011","18.6507","0.0013","90","","95.347","0.002","90","","1425.5","0.3","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C17 H12 N2 O3 -","- C17 H12 N2 O3 -","- C68 H48 N8 O12 -","4","1","","Aydın, Abdullah; Arıcı, Cengiz; Önkol, Tijen; Akkoc, Yasemin; Sahin, M. Fethi","Crystal structure of 6-benzoyl-2-benzoxazolinone-3-propionitril, C~17~H~12~N~2~O~3~","Zeitschrift für Kristallographie - New Crystal Structures","2001","216","4","527","528","","","","","","","","","","","","","","","","","","","","","","has coordinates","202018","2020-10-21","18:00:00","" "8101069","6.291","0.006","23.73","0.01","10.175","0.007","90","","92.68","0.08","90","","1517","2","293","","293","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C16 H14 N2 O4 S -","- C16 H14 N2 O4 S -","- C64 H56 N8 O16 S4 -","4","1","","Pearce, W. A.; Pyke, S. M.; Tiekink, E. R. T.","Crystal structure of 1-(4-nitrophenyl)-3-(phenylsulfonyl)-2,5-dihydro- 1H-pyrrole, C~16~H~14~N~2~O~4~S","Zeitschrift für Kristallographie - New Crystal Structures","2001","216","4","529","530","","","","","","","","","","","","","","","","","","","","","","has coordinates","202018","2020-10-21","18:00:00","" "8101070","12.043","0.002","12.043","0.002","7.666","0.002","90","","90","","120","","962.9","0.3","293","2","293","2","","","","","","","","3","P 32","P 32","145","","","","- C11 H16 O6 -","- C11.02 H16.06 O6 -","- C33.06 H48.18 O18 -","3","1","","Ries, A.; Sander, J.; Hegetschweiler, K.","Crystal structure of 2,3-O-dimethyl-5,6-O-isopropylidene-L-ascorbic acid, C~11~H~16~O~6~","Zeitschrift für Kristallographie - New Crystal Structures","2001","216","4","577","578","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00","" "8101071","10.686","0.002","8.357","0.002","12.738","0.003","90","","91.27","0.03","90","","1137.3","0.4","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C22 H22 O10 S2 -","- C22 H22 O10 S2 -","- C44 H44 O20 S4 -","2","1","","Ries, A.; Sander, J.; Hegetschweiler, K.","Crystal structure of 2,3-O-ethandiyl-5,6-O-ditosyl-L-ascorbic acid, C~22~H~22~O~10~S~2~","Zeitschrift für Kristallographie - New Crystal Structures","2001","216","4","579","580","","","","","","","","","","","","","","","","","","","","","","has coordinates","202018","2020-10-21","18:00:00","" "8101072","27.37","0.002","6.446","0.0009","18.66","0.002","90","","114.07","0.01","90","","3005.9","0.6","","","291","1","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C16 H26 O3 -","- C16 H26 O3 -","- C128 H208 O24 -","8","1","","Zukerman-Schpector, J.","Crystal structure of carbomethoxy-6-hydroxy-1,2,5,5-tetramethyl-1, 2,3,5,6,7,8,8a-octahydronaphtalene, C~16~H~26~O~3~","Zeitschrift für Kristallographie - New Crystal Structures","2001","216","4","581","582","","","","","","","","0.0506","","","0.1264","","","","","","","","","","","has coordinates","202018","2020-10-21","18:00:00","" "8101073","22.576","0.005","5.5979","0.0008","26.12","0.006","90","","90","","90","","3300.9","1.1","220","2","220","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C28 H38 O19 -","- C28 H38 O19 -","- C112 H152 O76 -","4","1","","Bruhn, Clemens; Arendt, Yvonne; Steinborn, Dirk","Crystal structure of O^1^,O^2^,O^3^,O^6^-tetraacetyl-O4-[tetra-O-acetyl- β-D-glucopyranosyl]-α-D-glucopyranose(octa-O-acetyl-α- D-cellobiose), C~28~H~38~O~19~","Zeitschrift für Kristallographie - New Crystal Structures","2001","216","4","587","588","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00","" "8101074","30.095","0.006","12.35","0.003","7.56","0.003","90","","90","","90","","2810","1","173","","173","","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C26 H33 Cl N4 O4 Se2 -","- C26 H33 Cl N4 O4 Se2 -","- C104 H132 Cl4 N16 O16 Se8 -","4","1","","Ward, A. D.; Ward, V. R.; Tiekink, E. R. T.","Crystal structure of 5-methyl-1,4-di[2-(phenylselanyl)cyclohexyl]- 4H-1,2,3,4-tetraazol-1-ium perchlorate, [(C~6~H~5~SeC~6~H~10~)~2~CH~3~CN~4~] ClO~4~","Zeitschrift für Kristallographie - New Crystal Structures","2001","216","4","551","552","","","","","","","","","","","","","","","","","","","","","","has coordinates","277875","2022-09-15","11:59:41","" "8101075","9.972","0.001","29.548","0.003","11.83","0.002","90","","105.25","0.01","90","","3363.2","0.7","173","","173","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H21 N O2 Se -","- C19 H21 N O2 Se -","- C152 H168 N8 O16 Se8 -","8","2","","Ward, A. D.; Ward, V. R.; Tiekink, E. R. T.","Crystal structure of N1-[2-(phenylseleninyl)cyclohexyl]benzamide, C~19~H~21~NO~2~Se","Zeitschrift für Kristallographie - New Crystal Structures","2001","216","4","555","557","","","","","","","","","","","","","","","","","","","","","","has coordinates","202018","2020-10-21","18:00:00","" "8101076","7.555","0.006","7.727","0.003","16.643","0.002","90","","98.95","0.02","90","","959.7","0.6","173","","173","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C12 H8 Br N -","- C12 H8 Br N -","- C48 H32 Br4 N4 -","4","1","","Duthie, A.; Scammells, P. J.; Katsifis, A.; Tiekink, E. R. T.","Crystal structure of (4-bromonaphthalen-2-yl) acetonitrile, C~12~H~8~BrN","Zeitschrift für Kristallographie - New Crystal Structures","2001","216","4","531","532","","","","","","","","","","","","","","","","","","","","","","has coordinates","202018","2020-10-21","18:00:00","" "8101077","35.926","0.009","5.968","0.004","22.604","0.005","90","","127.58","0.01","90","","3841","3","293","","293","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C22 H26 O5 -","- C22 H26 O5 -","- C176 H208 O40 -","8","1","","Liu, L.; Warrener, R. N.; Russell, R. A.; Tiekink, E. R. T.","Crystal structure of dimethyl 4,5-dimethylene-15-oxahexa-cyclo-[6.6.1.1 ^3,6^.1^10,13^.0^2,7^.0^9,14^]heptane heptan-1,8-dicarboxylate, C~22~H~26~O~5~","Zeitschrift für Kristallographie - New Crystal Structures","2001","216","4","533","534","","","","","","","","","","","","","","","","","","","","","","has coordinates","202018","2020-10-21","18:00:00","" "8101078","12.001","0.005","14.599","0.006","16.974","0.006","90","","90.97","0.03","90","","2973.4","2.1","296","2","296","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C32 H28 S6 -","- C32 H28 S6 -","- C128 H112 S24 -","4","1","","Mahjoub, Ahmed; Zantour, Hédi; Masson, Serge","Crystal structure of 1,3,5,7-tetrabenzyl-2,4,6,8,9,10-hexathia-tricyclo [3.3.1.1^3,7^]decane, C~32~H~28~S~6~","Zeitschrift für Kristallographie - New Crystal Structures","2001","216","4","589","590","","","","","","","","0.0676","","","0.156","","","","","","","","","","","has coordinates","202018","2020-10-21","18:00:00","" "8101079","9.865","0.008","10.491","0.004","15.775","0.004","90","","90","","90","","1633","1","173","","173","","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C8 H8 O2 Se -","- C8 H8 O2 Se -","- C64 H64 O16 Se8 -","8","1","","Ward, A. D.; Ward, V. A.; Tiekink, E. R. T.","Crystal structure of 1-(vinylselenonyl)benzene, C~6~H~5~SeO~2~CH=CH~2~","Zeitschrift für Kristallographie - New Crystal Structures","2001","216","4","553","554","","","","","","","","","","","","","","","","","","","","","","has coordinates","202018","2020-10-21","18:00:00","" "8101080","21.78","0.02","12.58","0.01","9.694","0.005","90","","90","","90","","2655","3","173","","173","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C18 H14 O2 -","- C18 H14 O2 -","- C144 H112 O16 -","8","1","","Jevric, M.; Taylor, D. K.; Tiekink, E. R. T.","Crystal structure of 2-(2-hydroxy-1-naphthyl)-1-phenyl-1-ethanone, C~18~H~14~O~2~","Zeitschrift für Kristallographie - New Crystal Structures","2001","216","4","541","542","","","","","","","","","","","","","","","","","","","","","","has coordinates","202018","2020-10-21","18:00:00","" "8101081","8.768","0.004","8.984","0.003","8.035","0.003","99.62","0.03","100.7","0.03","107.23","0.03","577.2","0.5","173","","173","","","","","","","","","3","P -1","-P 1","2","","","","- C15 H12 O3 -","- C15 H12 O3 -","- C30 H24 O6 -","2","1","","Jevric, M.; Taylor, D. K.; Tiekink, E. R. T.","Crystal structure of 2-(1-methylnaphtho[2,1-b]furan-2-yl)acetic acid, C~15~H~12~O~3~","Zeitschrift für Kristallographie - New Crystal Structures","2001","216","4","543","544","","","","","","","","","","","","","","","","","","","","","","has coordinates","202018","2020-10-21","18:00:00","" "8101082","8.722","0.002","11.037","0.005","8.301","0.004","90","","115.95","0.02","90","","718.6","0.5","173","","173","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C8 H6 N2 O -","- C8 H6 N2 O -","- C32 H24 N8 O4 -","4","1","","Razzino, P.; Ward, A. D.; Tiekink, E. R. T.","Refinement of the crystal structure of 2-hydroxyimino-2-phenylacetonitrile, C~8~H~6~N~2~O, at 173 K","Zeitschrift für Kristallographie - New Crystal Structures","2001","216","4","549","550","","","","","","","","","","","","","","","","","","","","","","has coordinates","202018","2020-10-21","18:00:00","" "8101083","7.8805","0.0005","9.5857","0.0006","14.4571","0.0009","75.401","0.001","89.526","0.001","82.481","0.001","1047.4","0.11","223","","223","","","","","","","","","4","P -1","-P 1","2","","","","- C25 H25 N O3 -","- C25 H25 N O3 -","- C50 H50 N2 O6 -","2","1","","Hartl, H.; Brüdgam, I.; Reissig, H.-U.; Buchholz, M.","Crystal structure of (4S*,5R*,6S*)-6-ethoxy-4-[(1R*)-(1-hydroxy-1- phenyl)methyl]-3,5-diphenyl-5,6-dihydro-4H-1,2-oxazine, C~25~H~25~NO~3~","Zeitschrift für Kristallographie - New Crystal Structures","2001","216","4","591","592","","","","","","","","","","","","","","","","","","","","","","has coordinates","202018","2020-10-21","18:00:00","" "8101084","14.983","0.005","26.74","0.006","7.12","0.003","90","","90","","90","","2852","2","173","","173","","","","","","","","","3","P 21 21 2","P 2 2ab","18","","","","- C19 H13 F3 -","- C19 H13 F3 -","- C152 H104 F24 -","8","2","","Jevric, M.; Taylor, D. K.; Tiekink, E. R. T.","Crystal structure of 1-[(E)-2-[4-(trifluoromethyl)phenyl]-1-ethenyl]- naphthalene, C~19~H~13~F~3~","Zeitschrift für Kristallographie - New Crystal Structures","2001","216","4","545","546","","","","","","","","","","","","","","","","","","","","","","has coordinates","202018","2020-10-21","18:00:00","" "8101085","8.766","0.006","13.67","0.01","8.274","0.005","90.88","0.08","107.08","0.05","105.9","0.07","906","1","293","","293","","","","","","","","","5","P -1","-P 1","2","","","","- C21 H18 N2 O3 S -","- C21 H18 N2 O3 S -","- C42 H36 N4 O6 S2 -","2","1","","Kimber, M. C.; Lincoln, S. F.; Ward, A. D.; Tiekink, E. R. T.","Crystal structure of 4-methyl-N-(2-methoxy-5-acridinyl)benzene sulfonamide, C~21~H~18~N~2~O~3~S","Zeitschrift für Kristallographie - New Crystal Structures","2001","216","4","547","548","","","","","","","","","","","","","","","","","","","","","","has coordinates","202018","2020-10-21","18:00:00","" "8101086","11.173","0.003","14.42","0.003","11.03","0.002","105.6","0.02","100.31","0.02","108.45","0.02","1554.5","0.8","293","","293","","","","","","","","","5","P -1","-P 1","2","","","","- C14 H16 Cl N5 O2 -","- C14 H16 Cl N5 O2 -","- C56 H64 Cl4 N20 O8 -","4","2","","Liepa, A. J.; Nearn, R. H.; Tiekink, E. R. T.","Crystal structure of 2-[5-(2-chlorophenyl)tetrazol-1-yloxy]-1-piperidin- 1-yl-ethanone, C~14~H~16~ClN~5~O~2~","Zeitschrift für Kristallographie - New Crystal Structures","2001","216","4","538","540","","","","","","","","","","","","","","","","","","","","","","has coordinates","202018","2020-10-21","18:00:00","" "8101087","18.675","0.009","23.928","0.008","11.356","0.008","90","","90","","90","","5074","4","293","","293","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C57 H45 Cl6 N O7 -","- C57 H45 Cl6 N O7 -","- C228 H180 Cl24 N4 O28 -","4","1","","Wang, S.; Warrener, R. N.; Russell, R. A.; Tiekink, E. R. T.","Crystal structure of (1α,2β,3α,4β,5α, 12α,13β,14α,15β,16α,17β,18α, 25α,26β)-N-(2-methoxyethyl)-5,12,18,25-tetraphenyl-27, 28,29,30-tetraoxadeca-cyclo-[14.10.1.1^3,14^.1^5,12^.1^18,25^.0^2, 15^.0^4,13^.0^6,11^.0^17,26^.0^19,24^]triaconta-6,8,10,19,21,23-exaen- 2,15-carboximide—chloroform (1/2), C~55~H~43~NO~7 ~· 2CHCl~3~","Zeitschrift für Kristallographie - New Crystal Structures","2001","216","4","535","537","","","","","","","","","","","","","","","","","","","","","","has coordinates","202018","2020-10-21","18:00:00","" "8101088","6.608","0.002","23.111","0.01","4.687","0.004","90","","90","","90","","715.9","0.6","173","","173","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C7 H6 Br N O -","- C7 H6 Br N O -","- C28 H24 Br4 N4 O4 -","4","1","","Ward, A. D.; Ward, V. R.; Tiekink, E. R. T.","Crystal structure of anti-4-bromobenzaldehyde oxime, C~7~H~6~BrNO","Zeitschrift für Kristallographie - New Crystal Structures","2001","216","4","561","562","","","","","","","","","","","","","","","","","","","","","","has coordinates","202018","2020-10-21","18:00:00","" "8101089","6.161","0.004","4.766","0.006","25.187","0.003","90","","94","0.03","90","","737.8","0.7","173","","173","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C7 H6 Br N O -","- C7 H6 Br N O -","- C28 H24 Br4 N4 O4 -","4","1","","Ward, A. D.; Ward, V. R.; Tiekink, E. R. T.","Crystal structure of syn-4-bromobenzaldehyde oxime, C~7~H~6~BrNO","Zeitschrift für Kristallographie - New Crystal Structures","2001","216","4","563","564","","","","","","","","","","","","","","","","","","","","","","has coordinates","202018","2020-10-21","18:00:00","" "8101090","5.183","0.001","16.381","0.003","10.65","0.002","90","","102.43","0.01","90","","883","0.3","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C18 H23 N O5 -","- C18 H23 N O5 -","- C36 H46 N2 O10 -","2","1","","Cetina, Mario; Hergold-Brundić, A.; Mrvoš-Sermek, D.; Džolić, Z.; Mintas, M.","Crystal structure of ethyl(1S,2R)-1-benzamido-2-[(S)-2,2-dimethyl- 1,3-dioxolan-4-yl]cyclopropanecarboxylate, C~18~H~23~NO~5~","Zeitschrift für Kristallographie - New Crystal Structures","2001","216","4","595","596","","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","176728","2020-10-21","18:00:00","" "8101091","10.795","0.003","12.877","0.005","7.877","0.002","97.2","0.03","96.21","0.02","84","0.02","1075.4","0.5","173","","173","","","","","","","","","3","P -1","-P 1","2","","","","- C29 H22 O4 -","- C29 H22 O4 -","- C58 H44 O8 -","2","1","","Kerr, P. J.; Pyke, S. M.; Ward, A. D.; Tiekink, E. R. T.","Crystal structure of 1-[2,4-di(benzyloxy)-6-hydroxyphenyl]-3-phenyl- 2-propyn-1-one, C~29~H~22~O~4~","Zeitschrift für Kristallographie - New Crystal Structures","2001","216","4","565","566","","","","","","","","","","","","","","","","","","","","","","has coordinates","202018","2020-10-21","18:00:00","" "8101092","9.122","0.004","15.188","0.004","7.342","0.004","99.74","0.03","96.14","0.04","94.11","0.03","992.5","0.7","173","","173","","","","","","","","","3","P -1","-P 1","2","","","","- C21 H24 O7 -","- C21 H24 O7 -","- C42 H48 O14 -","2","1","","Kerr, P. J.; Pyke, S. M.; Ward, A. D.; Tiekink, E. R. T.","Crystal structure of (E)-1,3-di(2,4,6-trimethoxyphenyl)-2-propen-1- one, C~21~H~24~O~7~","Zeitschrift für Kristallographie - New Crystal Structures","2001","216","4","567","568","","","","","","","","","","","","","","","","","","","","","","has coordinates","202018","2020-10-21","18:00:00","" "8101093","17.17","0.01","19.346","0.004","14.525","0.004","90","","90","","90","","4824","3","173","","173","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C30 H23 Cl O6 -","- C30 H23 Cl O6 -","- C240 H184 Cl8 O48 -","8","2","","Kerr, P. J.; Pyke, S. M.; Ward, A. D.; Tiekink, E. R. T.","Crystal structure of (Z)-3-(1,3-benzodioxol-5-yl)-3-chloro-1-[2,4- di(benzyloxy)-6-hydroxyphenyl]-2-propen-1-one, C~30~H~23~ClO~6~","Zeitschrift für Kristallographie - New Crystal Structures","2001","216","4","558","560","","","","","","","","","","","","","","","","","","","","","","has coordinates","202018","2020-10-21","18:00:00","" "8101094","5.679","0.002","10.333","0.006","31.485","0.013","90","","90","","90","","1847.6","1.5","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C21 H24 O4 -","- C21 H24 O4 -","- C84 H96 O16 -","4","1","","Henkel, Sonja; Shaw, Duncan; Lieberknecht, Albrecht; Jäger, Volker","Crystal structure of methyl 2,3-di-O-benzyl-4,6-cyclo-4,6-dideoxy- β-D-galactopyranoside, C~21~H~24~O~4~","Zeitschrift für Kristallographie - New Crystal Structures","2001","216","4","609","610","","","","","","","","0.0366","","","0.0901","","","","","","","","","","","has coordinates","202018","2020-10-21","18:00:00","" "8101095","7.6015","0.0003","9.4921","0.0002","20.0478","0.0008","90","","90","","90","","1446.53","0.09","291","1","291","1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C13 H19 N O3 -","- C13 H19 N O3 -","- C52 H76 N4 O12 -","4","1","","Canisius, Johannes; Schürmann, Markus; Preut, Hans; Krause, Norbert","Crystal structure of ethyl (Z)-2-(acetylamino)-6,6-dimethyl-2-hepten- 4-ynoate, C~13~H~19~NO~3~","Zeitschrift für Kristallographie - New Crystal Structures","2001","216","4","599","600","","","","","","","","","","","","","","","","","","","","","","has coordinates","202018","2020-10-21","18:00:00","" "8101096","6.9748","0.0009","12.655","0.002","17.837","0.003","90","","90","","90","","1574.4","0.4","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C14 H17 I N2 O3 -","- C14 H17 I N2 O3 -","- C56 H68 I4 N8 O12 -","4","1","","Henkel, Sonja; Shaw, Duncan; Jäger, Volker","Crystal structure of (3R,4R,5R)-5-iodomethyl-3,4-O-isopropylidenedioxy- 1-phenylamino-pyrrolidine-2-one, C~14~H~17~IN~2~O~3~","Zeitschrift für Kristallographie - New Crystal Structures","2001","216","4","611","612","","","","","","","","0.0677","","","0.1137","","","","","","","","","","","has coordinates","202018","2020-10-21","18:00:00","" "8101097","9.113","0.001","5.6433","0.0009","12.636","0.002","90","","101.07","0.01","90","","637.8","0.2","","","291","1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C11 H14 O3 S2 -","- C11 H14 O3 S2 -","- C22 H28 O6 S4 -","2","1","","Zukerman-Schpector, J.; Olivato, Paulo R.; Hui, M.L.T.; Rodrigues, A.","Crystal structure of 4'-methylphenyl-2-ethylsulfonyl thioacetate, C~11~H~14~O~3~S~2~","Zeitschrift für Kristallographie - New Crystal Structures","2001","216","4","583","584","","","","","","","","0.0423","","","0.1096","","","","","","","","","","","has coordinates","202018","2020-10-21","18:00:00","" "8101098","27.1475","0.0001","6.8323","0.0003","19.7939","0.0005","90","","125.85","0.02","90","","2976.03","0.15","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C15 H23 N O3 -","- C15 H23 N O3 -","- C120 H184 N8 O24 -","8","1","","Rademacher, O.; Berndt, M.; Reissig, H.-U.","Crystal structure of 4R*,4aS*,5S*-5-hydroxy-4-(1-hydroxy-1-methylethyl)- 5-methyl-4,4a,5,6,7,8-hexahydronaphthalene-2-carbonitrile—water (1/1), C~15~H~21~NO~2~ · H~2~O","Zeitschrift für Kristallographie - New Crystal Structures","2001","216","4","593","594","","","","","","","","","","","","","","","","","","","","","","has coordinates","176728","2020-10-21","18:00:00","" "8101099","6.958","0.002","17.885","0.002","18.008","0.002","90","","90","","90","","2241","0.7","","","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C14 H12 O3 -","- C28 H24 O6 -","- C112 H96 O24 -","4","1","","Do Valle, N.T.; De Simone, Carlos A.; Pereira, Mariano A.; Pinto, A.V.; Malta, Valéria R.S.","Crystal structure of 2,2-dimethyl-naphto[1,2b]1,2-dihydrofuran-4,5- dione, C~14~H~12~O~3~","Zeitschrift für Kristallographie - New Crystal Structures","2001","216","4","603","604","","","","","","","","","","","","","","","","","","","","","","has coordinates","202018","2020-10-21","18:00:00","" "8101100","8.2617","0.0011","11.8467","0.0017","14.885","0.002","90","","103.368","0.006","90","","1417.4","0.4","110","2","110","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C24 H24 Cl2 N4 O12 Zn -","- C24 H24 Cl2 N4 O12 Zn -","- C48 H48 Cl4 N8 O24 Zn2 -","2","0.5","","Morsali, Ali; Ramazani, Ali; Jamali, Fahime; Gouranlou, Farideh","Crystal structure of diaqua-bis[N-(2-pyridyl)carbonylaniline]zinc (II) diperchlorate, Zn(C~12~H~16~N~2~O)~2~(H~2~O)~2~(ClO~4~)~2~","Zeitschrift für Kristallographie - New Crystal Structures","2001","216","4","605","606","","","","","","","","","","","","","","","","","","","","","","has coordinates","176466","2020-10-21","18:00:00","" "8101101","16.544","0.003","10.34","0.002","14.878","0.003","90","","106.25","0.03","90","","2443.4","0.8","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C20 H28 Cl2 Si2 Ti2 -","- C20 H28 Cl2 Si2 Ti2 -","- C80 H112 Cl8 Si8 Ti8 -","4","0.5","","Spannenberg, Anke; Kirchbauer, Frank G.; Burlakov, Vladimir V.; Rosenthal, Uwe","Crystal structure of bis[(η^5^-cyclopentadienyl)(μ,η ^1^:η^2^-2-trimethylsilyl-ethinyl)(chloro)titanium(III)], [CpTiCl (CCSiMe~3~)]~2~","Zeitschrift für Kristallographie - New Crystal Structures","2001","216","4","619","620","","","","","","","","0.0343","","","0.0681","","","","","","","","","","","has coordinates","176728","2020-10-21","18:00:00","" "8101102","10.314","0.002","23.451","0.005","23.651","0.005","90","","100.36","0.03","90","","5627.3","2","200","2","200","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C52 H82 Li O1.5 Si2 Ti2 -","- C52 H82 Li O1.5 Si2 Ti2 -","- C208 H328 Li4 O6 Si8 Ti8 -","4","1","","Spannenberg, Anke; Burlakov, Vladimir V.; Rosenthal, Uwe","Crystal structure of [2,2-bis(η^5^-pentamethylcyclopentadienyl)- bis-(μ,η^1^:η^2^-2-trimethylsilyl-ethinyl)titanium(IV) lithium] [2,2-bis(η^5^-pentamethylcyclopentadienyl)-oxotitanium(III)— tetrahydrofurane (1/0.5), C~50~H~78~LiOSi~2~Ti~2~ · 0.5C~4~H~8~O","Zeitschrift für Kristallographie - New Crystal Structures","2001","216","4","616","618","","","","","","","","0.064","","","0.1601","","","","","","","","","","","has coordinates","176466","2020-10-21","18:00:00","" "8101103","5.912","0.001","22","0.001","13.006","0.002","90","","101.7","0.01","90","","1656.5","0.3","293","","293","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H15 N2 O5 P -","- C16 H15 N2 O5 P -","- C64 H60 N8 O20 P4 -","4","1","","Turner, K. A.; Sasse, W. H. F.; Tiekink, E. R. T.","Crystal structure of dimethyl [2-(4'-nitrophenyl)-3-phenyl-2H-azirin- 2-yl]phosphonate, C~16~H~15~N~2~O~5~P","Zeitschrift für Kristallographie - New Crystal Structures","2001","216","4","569","570","","","","","","","","","","","","","","","","","","","","","","has coordinates","202018","2020-10-21","18:00:00","" "8101104","15.675","0.003","19.863","0.004","6.1999","0.0027","90","","90","","90","","1930.4","0.8","293","","293","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C24 H21 N3 O3 -","- C24 H21 N3 O3 -","- C96 H84 N12 O12 -","4","1","","Gream, G. E.; Kirkbride, P. K.; Tiekink, E. R. T.","Crystal structure of 2RS-p-methoxyphenyl-8SR-5-phenyl-3,5,7-triazatricyclo [6.5.1.0^3,7^]tetradeca-9,11,13-triene-4,6-dione, C~24~H~21~N~3~O~3~","Zeitschrift für Kristallographie - New Crystal Structures","2001","216","4","571","572","","","","","","","","","","","","","","","","","","","","","","has coordinates","202018","2020-10-21","18:00:00","" "8101105","10.622","0.003","8.351","0.002","19.89","0.003","90","","100.37","0.02","90","","1735.5","0.6","293","","293","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C19 H17 N3 O4 -","- C19 H17 N3 O4 -","- C76 H68 N12 O16 -","4","1","","Golic, M.; Warrener, R. N.; Russell, R. A.; Tiekink, E. R. T.","Crystal structure of (1SR,8RS,15SR,19RS)4,6-dimethoxy-17-methyl-3, 5-diazapentacyclo[6.6.5.02,7.09,14.015,19]-nonadec-2,4,6,9,11,13-hexaene- 16,18-dione, C~19~H~17~N~3~O~4~, the major adduct from the Diels-Alder reaction of maleic anhydride with 2,4-dimethoxy-1,3-diazaanthracene","Zeitschrift für Kristallographie - New Crystal Structures","2001","216","4","573","574","","","","","","","","","","","","","","","","","","","","","","has coordinates","202018","2020-10-21","18:00:00","" "8101106","15.698","0.002","20.607","0.002","17.446","0.002","90","","110.682","0.007","90","","5279.9","1.1","163","","163","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","26,28-bis(2-propenyloxy)calix[4]arene","","","- C34 H32 O4 -","- C34 H32 O4 -","- C272 H256 O32 -","8","2","","Bryan, Jeffrey C.; Sachleben, Richard A.","Crystal structure of 26,28-bis(2-propenyloxy)calix[4]arene, C~34~H~32~O~4~","Zeitschrift für Kristallographie - New Crystal Structures","2001","216","4","623","625","","","","","","","","","","","","","","","","","","","","","","has coordinates","202018","2020-10-21","18:00:00","" "8101107","6.3113","0.0013","24.063","0.005","8.7559","0.0018","90","","99.28","0.03","90","","1312.3","0.5","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C27 H36 N2 O7 S -","- C27 H36 N2 O7 S -","- C54 H72 N4 O14 S2 -","2","1","","Ousmer, Malika; Braun, Norbert A.; Ciufolini, Marco A.; Perrin, Monique","Crystal structure of (1S,3S,6S,7S,8S,9R)-7,9-dihydroxy-6-(4-methoxybenzyl)- 3-[N-methyl-N-(4-methylphenyl)sulfonylamino]-5-azatricyclo[6.3.1.0 ^1.5^]dodecan-4-one—water (1/1), C~27~H~34~N~2~O~6~S · H~2~O","Zeitschrift für Kristallographie - New Crystal Structures","2001","216","4","621","622","","","","","","","","","","","","","","","","","","","","","","has coordinates","202018","2020-10-21","18:00:00","" "8101108","15.233","0.004","25.208","0.006","14.685","0.003","90","","103.893","0.005","90","","5474","2","110","2","110","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H20 Cr N6 O12.5 -","- C26 H20 Cr N6 O12.5 -","- C208 H160 Cr8 N48 O100 -","8","2","","Ranjbar, M.; Aghabozorg, Hossein; Moghimill, A.; Yanovsky, A.","Crystal structure of 2,6-diaminopyridinum bis(2,6-pyridinedicarboxylato) chromium(III) 2,6-pyridinedicarboxylic acid hemihydrate, C~26~H~18~CrN~6~O~12~ · 0.5H~2~O","Zeitschrift für Kristallographie - New Crystal Structures","2001","216","4","626","628","","","","","","","","","","","","","","","","","","","","","","has coordinates","176466","2020-10-21","18:00:00","" "8101109","14.742","0.002","21.389","0.003","22.688","0.003","90","","90","","90","","7153.9","1.7","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C26 H42 I2 N4 O8 -","- C26 H42 I2 N4 O8 -","- C208 H336 I16 N32 O64 -","8","2","","Henkel, Sonja; Shaw, Duncan; Dong, Han-Qing; Jäger, Volker","Crystal structure of (1S,2R,3R,5aR,6S,7R,8R,10aR)-5,10-di-(tert-butoxycarbonyl)- 3,8-di-(iodomethyl)-1,2:6,7-di-isopropylidenedioxy-perhydro-dipyrrolo [1,2-b:1,2-e]-1,2,4,5-tetrazine, C~26~H~42~I~2~N~4~O~8~","Zeitschrift für Kristallographie - New Crystal Structures","2001","216","4","613","615","","","","","","","","0.0672","","","0.1058","","","","","","","","","","","has coordinates","202018","2020-10-21","18:00:00","" "8101110","12.42","0.005","9.469","0.004","15.08","0.007","90","","95.57","0.04","90","","1765.1","1.3","302","2","302","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","[(phenyl)~3~PS-AuBr]","","","- C18 H15 Au Br P S -","- C18 H15 Au Br P S -","- C72 H60 Au4 Br4 P4 S4 -","4","1","","Hussain, M. Sakhawat; Isab, A.A.; Saeed, Ahmad; Al-Arfaj, A. R.","Crystal structure of bromotri(phenyl)phosphinesulphidegold(I), (C~6~H~5~) ~3~PSAuBr","Zeitschrift für Kristallographie - New Crystal Structures","2001","216","4","629","630","","","","","","","","","","","","","","","","","","","","","","has coordinates","176728","2020-10-21","18:00:00","" "8101111","11.291","0.002","12.161","0.002","15.324","0.003","86.99","0.03","78.04","0.03","68.6","0.03","1915.8","0.7","273","2","273","2","","","","","","","","8","P -1","-P 1","2","","","","- C40.5 H38 Cl I N O4 P Pd -","- C40.5 H38 Cl I N O4 P Pd -","- C81 H76 Cl2 I2 N2 O8 P2 Pd2 -","2","1","","Bavoux, C.; Fabritius, C.-H.; Clique, B.; Monteiro, N.; Balme, G.","Crystal structure of iodo-(9-methylene-5,6-dihydro-10,10-dimethoxycarbonyl- benzo[f]pyrrolidino[2,1-a]isoquinoline-5-methyl)-triphenylphosphine- palladium(II)—dichloromethane (1/0.5), (C~40~H~37~INO~4~PPd) · 1/2 (CH~2~Cl~2~)","Zeitschrift für Kristallographie - New Crystal Structures","2001","216","4","633","634","10.1524/ncrs.2001.216.14.667","","","","","","","","","","","","","","","","","","","","","has coordinates","209540","2020-10-21","18:00:00","" "8101112","15.7901","0.0006","11.5163","0.0004","20.1992","0.0006","90","0.001","154.373","0.003","90","0.001","1588.6","0.1","298","","","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C24 H34 Cl2 N8 O12 Zn0.5 -","- C24 H34 Cl2 N8 O12 Zn -","- C48 H68 Cl4 N16 O24 Zn2 -","2","0.5","","Chkirate, K.; Regragui, R.; Essassi, E. M.; Pierrot, M.","Crystal structure of diaquabis[N-2-aminophenyl-5-methylpyrazol-yl acetamido]zinc(II) diperchlorate, C~24~H~34~N~8~O~4~Zn(ClO4)~2~","Zeitschrift für Kristallographie - New Crystal Structures","2001","216","4","635","636","","","","","","","","","","","","","","","","","","","","","","has coordinates","176466","2020-10-21","18:00:00","" "8101113","15.1046","0.0004","11.0696","0.0003","16.5588","0.001","90","","90","","90","","2768.7","0.2","200","2","200","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C26 H29 Co N7 O4 P -","- C26 H29 Co N7 O4 P -","- C104 H116 Co4 N28 O16 P4 -","4","1","","Vogt, Martin; Schütt, Thomas; Kemmerich, Timm; Klapötke, Thomas M.; Beck, Wolfgang","Crystal structure of trans-azido-bis(dimethylglyoximato)-triphenylphosphine- cobalt(III), C~26~H~29~CoN~7~O~4~P, at 200 K","Zeitschrift für Kristallographie - New Crystal Structures","2001","216","4","637","638","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00","" "8101114","9.828","0.005","13.723","0.005","17.716","0.011","90","","90","","90","","2389.4","2.1","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C25 H30 O3 Si -","- C25 H30 O3 Si -","- C100 H120 O12 Si4 -","4","1","","Tinant, Bernard; Depré, Dominique; Ghosez, Léon","Crystal structure of (1S,5R,6R,7R)-7-(tert-butyldiphenylsilyloxy)- 6-vinyl-2-oxabicyclo[3.3.0]octan-3-one, C~25~H~30~O~3~Si","Zeitschrift für Kristallographie - New Crystal Structures","2001","216","4","639","640","","","","","","","","","","","","","","","","","","","","","","has coordinates","202018","2020-10-21","18:00:00","" "8101115","9.75","0.001","7.691","0.001","16.055","0.002","90","","102.99","0.01","90","","1173.1","0.2","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C25 H30 O3 Si -","- C25 H30 O3 Si -","- C50 H60 O6 Si2 -","2","1","","Tinant, Bernard; Depré, Dominique; Ghosez, Léon","Crystal structure of (1S,5R,6S,7R)-7-(tert-butyldiphenylsilyloxy)- 6-vinyl-2-oxabicyclo[3.3.0]octan-3-one, C~25~H~30~O~3~Si","Zeitschrift für Kristallographie - New Crystal Structures","2001","216","4","641","642","","","","","","","","","","","","","","","","","","","","","","has coordinates","202018","2020-10-21","18:00:00","" "8101116","10.385","0.005","16.748","0.009","13.381","0.007","90","","104.1","0.02","90","","2257.2","3","293","2","293","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C25 H30 O3 Si -","- C25 H30 O3 Si -","- C100 H120 O12 Si4 -","4","1","","Tinant, Bernard; Depré, Dominique; Ghosez, Léon","Crystal structure of (1R,5S,6S,7R)-7-(tert-butyldiphenylsilyloxy)- 6-vinyl-2-oxabicyclo[3.3.0]octan-3-one, C~25~H~30~O~3~Si","Zeitschrift für Kristallographie - New Crystal Structures","2001","216","4","643","644","","","","","","","","","","","","","","","","","","","","","","has coordinates","202018","2020-10-21","18:00:00","" "8101117","7.1669","0.0002","12.336","0.001","9.481","0.002","90","","110.96","0.01","90","","782.8","0.2","293","2","293","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C12 H24 Cu N2 O8 -","- C12 H24 Cu N2 O8 -","- C24 H48 Cu2 N4 O16 -","2","0.5","","Krimi Ammar, Mehrzia; Ben Amor, Fatma; Driss, Ahmed; Jouini, Tahar","Refinement of the crystal structure of di(acetatodiethanolamin)copper (II) complex, Cu[N(CH~2~COO)(CH~2~CH~2~OH)~2~]~2~","Zeitschrift für Kristallographie - New Crystal Structures","2001","216","4","631","632","","","","","","","","0.0267","","","0.0783","","","","","","","","","","","has coordinates","176432","2020-10-21","18:00:00","" "8101118","7.1477","0.0009","18.768","0.002","7.651","0.001","90","","91.36","0.01","90","","1026.1","0.2","","","291","1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C10 H13 N3 O -","- C10 H13 N3 O -","- C40 H52 N12 O4 -","4","1","","Iulek, J.; Zukerman-Schpector, J.; Stadler, C. C.; Tozetto, A.; Vega, Mauricio","Crystal structure of 4-aza-2-(hydroxyimino)-3-methyl-5-(2-pyridyl) pent-3-ene, C~10~H~13~N~3~O","Zeitschrift für Kristallographie - New Crystal Structures","2001","216","4","585","586","","","","","","","","0.0447","","","0.1311","","","","","","","","","","","has coordinates","202018","2020-10-21","18:00:00","" "8101119","10.7295","0.0006","15.1279","0.0008","7.7526","0.0003","90","0.01","108.839","0.003","90","0.01","1191","1","298","","298","","","","","","","","","3","C 1 c 1","C -2yc","9","","","","- C15 H15 N -","- C15 H15 N -","- C60 H60 N4 -","4","1","","Sourdon, V.; Boyer, G.; Galy, J.-P.","Crystal structure of 4,9-dimethyl-9,10-dihydroacridine, C~15~H~15~N","Zeitschrift für Kristallographie - New Crystal Structures","2001","216","4","645","646","","","","","","","","0.037","","","0.062","","","","","","","","","","","has coordinates","202018","2020-10-21","18:00:00","" "8101120","12.069","0.003","12.499","0.003","7.577","0.002","106.54","0.02","93.57","0.02","116.21","0.02","959.3","0.6","294","","294","","","","","","","","","5","P -1","-P 1","2","","","","- C19 H27 N O Si -","- C19 H27 N O Si -","- C38 H54 N2 O2 Si2 -","2","1","","Fleming, Fraser F.; Pu, Yifang; Norman, Richard E.; Chang, Shih-Chi","Crystal structure of 2-[(tert-butyldimethylsilyloxy)-6-phenyl]-1-cyclohexene- 1-carbonitrile, C~19~H~27~NOSi","Zeitschrift für Kristallographie - New Crystal Structures","2001","216","4","647","648","","","","","","","","","","","","","","","","","","","","","","has coordinates","176466","2020-10-21","18:00:00","" "8101121","6.276","0.001","8.914","0.001","10.151","0.001","68.4","0.01","77.04","0.01","76.21","0.01","506.9","0.11","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C12 H13 N O -","- C12 H13 N O -","- C24 H26 N2 O2 -","2","1","","Meenakshi, C.; Ramamoorthy, V.; Muthusubramanian, S.; Sivasubramanian, S.; Ziegler, T.; Lex, J.","Crystal structure of 2-phenyl-2-cyclohexene-1-one oxime, C~12~H~13~NO","Zeitschrift für Kristallographie - New Crystal Structures","2001","216","4","649","650","","","","","","","","","","","","","","","","","","","","","","has coordinates","202018","2020-10-21","18:00:00","" "8101122","6.493","0.001","9.195","0.001","10.225","0.001","70.6","0.01","85.8","0.01","83.49","0.01","571.7","0.9","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C13 H15 N O2 -","- C13 H15 N O2 -","- C26 H30 N2 O4 -","2","1","","Meenakshi, C.; Ramamoorthy, V.; Muthusubramanian, S.; Sivasubramanian, S.; Ziegler, T.; Lex, J.","Crystal structure of 2-(4-methoxyphenyl)-2-cyclohexene-1-one oxime, C~13~H~15~NO~2~","Zeitschrift für Kristallographie - New Crystal Structures","2001","216","4","651","652","","","","","","","","","","","","","","","","","","","","","","has coordinates","202018","2020-10-21","18:00:00","" "8101123","6.731","0.001","8.757","0.001","11.348","0.001","67.69","0.01","80.71","0.01","79.29","0.01","604.99","0.13","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C14 H17 N O -","- C14 H17 N O -","- C28 H34 N2 O2 -","2","1","","Meenakshi, C.; Ramamoorthy, V.; Muthusubramanian, S.; Sivasubramanian, S.; Ziegler, T.; Lex, J.","Crystal structure of 2-(3,4-dimethylphenyl)-2-cyclohexene-1-one oxime, C~14~H~17~NO","Zeitschrift für Kristallographie - New Crystal Structures","2001","216","4","653","654","","","","","","","","","","","","","","","","","","","","","","has coordinates","202018","2020-10-21","18:00:00","" "8101124","7.556","0.0011","8.6238","0.0012","8.9656","0.0013","104.836","0.003","99.612","0.003","101.635","0.003","538.18","0.13","110","2","110","2","","","","","","","","6","P -1","-P 1","2","","","","- C7 H9 Cl N4 O4 S -","- C7 H9 Cl N4 O4 S -","- C14 H18 Cl2 N8 O8 S2 -","2","1","","Morsali, Ali; Ramazani, Ali; Jamali, Fahimeh; Gouranlou, Farideh","Crystal structure of pyridine-2-carbaldehyde thiosemicarbazonium perchlorate, (C~7~H~9~N~4~S)(ClO~4~)","Zeitschrift für Kristallographie - New Crystal Structures","2001","216","4","607","608","","","","","","","","","","","","","","","","","","","","","","has coordinates","202018","2020-10-21","18:00:00","" "8101125","10.227","0.005","10.227","0.005","34.145","0.015","90","","90","","90","","3571","3","293","2","293","2","","","","","","","","5","I 41/a m d :2","-I 4bd 2","141","Sigma-2","","","- C32 H60 N4 O128 Si64 -","- C47.04 O128 Si64 -","- C47.04 O128 Si64 -","1","0.03125","","Grünewald-Lüke, Antje; Marler, Bernd; Gies, Hermann","Crystal structure of clathrasil sigma-2 containing 3-azabicyclo[3.2.2] nonan as the guest molecule, ABN-sigma-2, (C~8~H~15~N)~4~[Si~64~O~128~]","Zeitschrift für Kristallographie - New Crystal Structures","2001","216","4","655","656","","","","","","","","","","","","","","","","","","","","","","has coordinates","176728","2020-10-21","18:00:00","" "8101126","8.085","0.001","20.378","0.002","11.1372","0.001","90","","96.226","0.012","90","","1824.1","0.3","253","2","253","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H16 N4 O5 -","- C20 H16 N4 O5 -","- C80 H64 N16 O20 -","4","1","","de Lima, Gilson F.; Santos, Regina H. A.; Souza, Jr, Jaime; Lechat, J. R.","Crystal structure of N-(1,2-diphenyl-2-hydroxyethylidene)-N'-(2,4- dinitrophenyl)-hydrazine, C~20~H~16~N~4~O~5~","Zeitschrift für Kristallographie - New Crystal Structures","2001","216","4","657","658","","","","","","","","","","","0.2186","","","","","","","","","","","has coordinates","202018","2020-10-21","18:00:00","" "8101127","9.578","0.001","9.578","0.001","33.228","0.007","90","","90","","90","","3048.3","0.8","293","2","293","2","","","","","","","","4","P 41 21 2","P 4abw 2nw","92","","","","- C15 H25 Cl Pd -","- C15 H25 Cl Pd -","- C120 H200 Cl8 Pd8 -","8","1","","Spannenberg, Anke; Ait Allal, Badia; El Firdoussi, Larbi; Karim, Abdallah; Beller, Matthias","Crystal structure of bis(π-allyldihydro-valencene)dichlorodipalladium, C~15~H~25~ClPd","Zeitschrift für Kristallographie - New Crystal Structures","2001","216","4","659","660","","","","","","","","0.0514","","","0.1038","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00","" "8101128","9.23","0.02","7.31","0.02","21.64","0.02","90","","90.5","0.1","90","","1459","4","296.2","","296.2","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C14 H18 N4 O4 -","- C14 H18 N4 O4 -","- C56 H72 N16 O16 -","4","1","","Fukui, Keijiro; Hesek, Dusan; Oelgemöller, Michael; Inoue, Yoshihisa","Crystal structure of N-cyclooctylidene-N'-(2,4-dinitrophenyl)-hydrazine, C~14~H~18~N~4~O~4~","Zeitschrift für Kristallographie - New Crystal Structures","2001","216","4","661","662","","","","","","","","0.0492","","","0.0359","","","","","","","","","","","has coordinates","176466","2020-10-21","18:00:00","" "8101129","18.228","0.001","18.228","0.001","7.237","0.001","90","","90","","90","","2404.5","0.2","193","2","193","2","","","","","","","","6","P 42 21 2","P 4n 2n","94","","","","- C11 H15 Cl F N O -","- C11 H15 Cl F N O -","- C88 H120 Cl8 F8 N8 O8 -","8","1","","Paulus, E. F.; Burgard, A.; Lang, H.-J.; Gerlach, U.","Crystal structure of (S)-(+)-6-fluoro-3,4-dihydro-2,2-dimethyl-2H- 1-benzpyran-4-ammonium chloride, [(CH~3~)~2~(C~9~OH~6~)F(NH~3~)]Cl","Zeitschrift für Kristallographie - New Crystal Structures","2001","216","4","663","664","","","","","","","","","","","","","","","","","","","","","","has coordinates","202018","2020-10-21","18:00:00","" "8101130","6.597","0.004","28.831","0.005","16.617","0.003","90","","90","","90","","3161","1","173","","173","","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C28 H44 N4 S4 Zn -","- C28 H44 N4 S4 Zn -","- C112 H176 N16 S16 Zn4 -","4","0.5","","Tiekink, E. R. T.","Crystal structure of 2,2'>-bipyridyl adduct of bis(dibutyldithiocarbamato) zinc(II), [Zn(S~2~CNBu~2~)~2~(bipy)]","Zeitschrift für Kristallographie - New Crystal Structures","2001","216","4","575","576","","","","","","","","","","","","","","","","","","","","","","has coordinates","176466","2020-10-21","18:00:00","" "8101131","21.125","0.003","14.102","0.002","20.172","0.004","90","","126.45","0.01","90","","4833.8","1.4","298","2","298","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C12 H22 N2 O -","- C12 H22 N2 O -","- C192 H352 N32 O16 -","16","2","","Lindner, Hans Jörg; Foro, Sabine; Nemes, Péter; Scheiber, Pál","Crystal structure of 11-methyl-7,11-diazatricyclo[7.3.1.0^2,7^]tridecan- 13-ols, C~12~H~22~N~2~O, solid state conformation of syn- and trans- isomers","Zeitschrift für Kristallographie - New Crystal Structures","2001","216","4","511","514","","","","","","","","0.0537","","","0.1418","","","","","","","","","","","has coordinates","176728","2020-10-21","18:00:00","" "8101132","12.527","0.003","11.171","0.005","17.757","0.004","90","","106.2","0.02","90","","2386.2","1.3","300","2","300","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C12 H22 N2 O -","- C12 H22 N2 O -","- C96 H176 N16 O8 -","8","2","","Lindner, Hans Jörg; Foro, Sabine; Nemes, Péter; Scheiber, Pál","Solid state conformation of isomeric 7,11-diazatricylo[7.3.1.0^2,7^] tridecan-13-ols","Zeitschrift für Kristallographie - New Crystal Structures","2001","216","4","511","514","","","","","","","","0.0533","","","0.1177","","","","","","","","","","","has coordinates","176728","2020-10-21","18:00:00","" "8101133","16.561","0.003","15.434","0.004","13.578","0.003","90","","90","","90","","3470","2","20","","20","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C15 H21 Fe O6 -","- C15 H21 Fe O6 -","- C120 H168 Fe8 O48 -","8","1","","Hu, M.-L.; Jin, Z.-M.; Miao, Q.; Fang, L.-P.","Crystal structure of tris(acetylacetonato)iron(III), C~15~H~21~O~6~Fe, at 20 K","Zeitschrift für Kristallographie - New Crystal Structures","2001","216","4","597","598","","","","","","","","0.053","","","0.059","","","","","","","","","","","has coordinates","176466","2020-10-21","18:00:00","" "8101134","8.398","0.004","9.743","0.004","16.006","0.009","72.78","0.04","84.75","0.04","76.35","0.03","1215.3","1","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C25 H16 N6 O3 Pb S -","- C25 H16 N6 O3 Pb S -","- C50 H32 N12 O6 Pb2 S2 -","2","1","","Morsali, Ali; Mahjoub, Ali Reza","Crystal structure of meso nitrato-O,O'-bis(1,10-phenantroline) isothiocyanatolead (II), C~25~H~16~N~6~O~3~PbS","Zeitschrift für Kristallographie - New Crystal Structures","2001","216","4","601","602","","","","","","","","0.0407","","","0.1024","","","","","","","","","","","has coordinates","176466","2020-10-21","18:00:00","" "8101135","9.937","0.001","9.937","0.001","5.8193","0.0009","90","","90","","90","","574.62","","293","2","293","2","","","","","","","","3","I 4/m m m","","139","rubidiumoxoaurate(I)","","","- Au O Rb -","- Au O Rb -","- Au8 O8 Rb8 -","8","0.25","","Mudring, Anja-Verena; Jansen, Martin","Crystal structure of monorubidiumaurate(I), RbAuO","Zeitschrift für Kristallographie - New Crystal Structures","2001","216","4","482","482","","powder diffraction","","","","","","","","","","","","","","","","","","","","has coordinates","176466","2020-10-21","18:00:00","" "8101136","10.1646","0.0004","10.1646","0.0004","6.1773","0.0004","90","","90","","90","","638.23","","293","2","293","2","","","","","","","","3","I4/m m m","","139","cesiumoxoaurate(I)","","","- Au Cs O -","- Au Cs O -","- Au8 Cs8 O8 -","8","","","Mudring, Anja-Verena; Jansen, Martin","Crystal structure of monocesiumaurate(I), CsAuO","Zeitschrift für Kristallographie - New Crystal Structures","2001","216","4","481","481","","powder diffraction","","","","","","","","","","","","","","","","","","","","has coordinates","176466","2020-10-21","18:00:00","" "8101137","11.9441","0.0017","3.9746","0.0006","16.327","0.002","90","","97.951","0.003","90","","767.6","0.2","153","2","153","2","","","","","","","","4","P 1 21/m 1","-P 2yb","11","Praseodymium titanium oxysulfide","","","- O6 Pr6 S7 Ti2 -","- O6 Pr6 S7 Ti2 -","- O12 Pr12 S14 Ti4 -","2","0.5","","Gardberg, Anna S.; Ibers, James A.","Crystal structure of hexapraseodymium dititanium septasulfide hexaoxide, Pr~6~Ti~2~S~7~O~6~","Zeitschrift für Kristallographie - New Crystal Structures","2001","216","4","491","492","","","","","","","","","","","","","","","","","","","","","","has coordinates","176728","2020-10-21","18:00:00","" "8101138","12.666","0.002","12.666","0.002","12.666","0.002","90","","90","","90","","2031.7","0.6","293","2","293","2","","","","","","","","3","I 41 3 2","I 4bd 2c 3","214","","","","- Ga I3 La3 -","- Ga I3 La3 -","- Ga8 I24 La24 -","8","0.166667","","Zheng, Chong; Mattausch, Hansjürgen; Simon, Arndt","Crystal structure of galotrilanthanum triiodide, La~3~GaI~3~","Zeitschrift für Kristallographie - New Crystal Structures","2001","216","4","495","496","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00","" "8101139","4.3092","0.0006","4.3092","0.0006","4.4251","0.0009","90","","90","","120","","71.16","0.02","293","2","293","2","","","","","","","","2","P 6/m m m","-P 6 2","191","","","","- Ga2 La -","- Ga2 La -","- Ga2 La -","1","0.0416667","","Zheng, Chong; Mattausch, Hansjürgen; Simon, Arndt","Refinement of the crystal structure of lanthanum digallide, LaGa~2~","Zeitschrift für Kristallographie - New Crystal Structures","2001","216","4","497","497","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00","" "8101140","9.3203","0.0012","6.843","0.0009","12.0806","0.0015","90","","90","","90","","770.49","0.17","153","2","153","2","","","","","","","","3","P n m a","-P 2ac 2n","62","dipotassium tetrathiomolybdate","","","- K2 Mo S4 -","- K2 Mo S4 -","- K8 Mo4 S16 -","4","0.5","","Emirdag-Eanes, Mehtap; Ibers, James A.","Crystal structure of dipotassium tetrathiomolybdate, K~2~MoS~4~","Zeitschrift für Kristallographie - New Crystal Structures","2001","216","4","484","484","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00","" "8101141","9.7097","0.0006","11.3627","0.0007","9.6824","0.0006","90","","90","","90","","1068.24","0.11","153","2","153","2","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- Cs3 S4 V -","- Cs3 S4 V -","- Cs12 S16 V4 -","4","0.5","","Emirdag-Eanes, Mehtap; Ibers,James A.","Crystal structure of tricesium tetrathiovanadate(V), Cs~3~VS~4~, and of trirubidium tetrathiovanadate(V), Rb~3~VS~4~","Zeitschrift für Kristallographie - New Crystal Structures","2001","216","4","489","490","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00","" "8101142","9.396","0.0008","10.8892","0.0009","9.3639","0.0008","90","","90","","90","","958.07","0.14","153","2","153","2","","","","","","","","3","P n m a","-P 2ac 2n","62","Trirubidium tetrathiovanadate(V)","","","- Rb3 S4 V -","- Rb3 S4 V -","- Rb12 S16 V4 -","4","0.5","","Emirdag-Eanes, Mehtap; Ibers, James A.","Crystal structure of tricesium tetrathiovanadate(V), Cs~3~VS~4~, and of trirubidium tetrathiovanadate(V), Rb~3~VS~4~","Zeitschrift für Kristallographie - New Crystal Structures","2001","216","4","489","490","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00","" "8101143","11.704","0.001","11.704","","11.704","","90","","90","","90","","1603.3","0.5","293","","293","","","","","","","","","3","F -4 3 m","F -4 2 3","216","","","","- Al2 Hg5 Se8 -","- Al2 Hg5 Se8 -","- Al8 Hg20 Se32 -","4","0.0416667","","Krauß, G.; Krämer, V.","Crystal structure of pentamercury dialuminum octaselenide, Hg~5~Al~2~Se~8~","Zeitschrift für Kristallographie - New Crystal Structures","2001","216","4","498","498","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00","" "8101144","6.398","0.002","10.685","0.003","12.966","0.002","90","","90","","90","","886.4","0.4","293","2","293","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- As3 O Sr3 Ta -","- As3 O Sr3 Ta -","- As12 O4 Sr12 Ta4 -","4","0.5","","Derrien, Gaëlle; Tillard, Monique; Belin, Claude","Crystal structure of strontium tantalum arsenide oxide, Sr~3~TaAs~3~O, containing the pseudo-tetrahedral anion TaAs~3~O^6‒^","Zeitschrift für Kristallographie - New Crystal Structures","2001","216","4","499","500","","","","","","","","","","","","","","","","","","","","","","has coordinates","176466","2020-10-21","18:00:00","" "8101145","11.5646","0.0006","11.5646","0.0006","6.9978","0.0006","90","","90","","90","","935.89","0.11","153","2","153","2","","","","","","","","2","P 42/m b c","-P 4c 2ab","135","","","","- Pd Se -","- Pd Se -","- Pd24 Se24 -","24","1.5","","Ijjaali, Ismail; Ibers, James A.","Crystal structure of palladium selenide, PdSe","Zeitschrift für Kristallographie - New Crystal Structures","2001","216","4","485","486","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00","" "8101146","6.1696","0.0004","7.0575","0.0005","11.0579","0.0007","90","","90","","90","","481.48","0.06","153","2","153","2","","","","","","","","4","P b c m","-P 2c 2b","57","","","","- Gd2 O4 Si Te -","- Gd2 O4 Si Te -","- Gd8 O16 Si4 Te4 -","4","0.5","","Ijjaali, Ismail; Ibers, James A.","Crystal structure of digadolinium orthosilicate telluride, Gd~2~(SiO~4~)Te","Zeitschrift für Kristallographie - New Crystal Structures","2001","216","4","487","488","","","","","","","","","","","","","","","","","","","","","","has coordinates","176466","2020-10-21","18:00:00","" "8101147","4.1759","0.0003","4.1759","0.0003","7.1767","0.0004","90","","90","","120","","108.382","0.013","293","2","293","2","","","","","","","","3","P -3 m 1","-P 3 2""","164","","","","- Al2 Ca Ge2 -","- Al2 Ca Ge2 -","- Al2 Ca Ge2 -","1","0.0833333","","Carrillo-Cabrera, Wilder; Cardoso Gil, Raul; Grin, Yuri","Refinement of the crystal structure of monocalcium dialuminide digermanide, Ca[Al~2~Ge~2~]","Zeitschrift für Kristallographie - New Crystal Structures","2001","216","4","501","502","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00","" "8101148","3.7762","0.001","3.7762","0.001","6.227","0.001","90","","90","","120","","76.9","0.03","293","2","293","2","","","","","","","","2","P -3 m 1","-P 3 2""","164","Iron dibromide","","","- Br2 Fe -","- Br2 Fe -","- Br2 Fe -","1","0.0833333","","Haberecht, Jörg; Borrmann, Horst; Kniep, Rüdiger","Refinement of the crystal structure of iron dibromide, FeBr~2~","Zeitschrift für Kristallographie - New Crystal Structures","2001","216","4","510","510","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00","" "8101149","12.32","0.006","4.626","0.002","11.499","0.006","90","","91.89","0.12","90","","654.98","0.01","298","2","298","2","","","","","","","","4","C 1 2/m 1","-C 2y","12","","","","- Ba6 Ge12 Li3.1 Mg4.9 -","- Ba6 Ge12 Li3.088 Mg4.912 -","- Ba6 Ge12 Li3.088 Mg4.912 -","1","0.125","","Zürcher, Fabio; Nesper, Reinhard","Crystal structure of hexabarium pentamagnesium trilithium dodecagermanide, Ba~6~Mg~4.9~Li~3.1~Ge~12~","Zeitschrift für Kristallographie - New Crystal Structures","2001","216","4","505","506","","","","","","","","0.0195","","","0.0424","","","","","","","","","","","has coordinates","176728","2020-10-21","18:00:00","" "8101150","21.707","0.004","4.4827","0.0009","18.456","0.004","90","","90","","90","","1795.9","0.6","293","2","293","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- Ca8 Li Mg2 Si8 -","- Ca8 Li0.969 Mg2.031 Si8 -","- Ca32 Li3.876 Mg8.124 Si32 -","4","0.5","","Zürcher, Fabio; Nesper, Reinhard","Crystal structure of octacalcium dimagnesium monolithium octasilicide, Ca~8~Mg~2.0~Li~1.0~Si~8~, and of octacalcium dimagnesium monolithium octagermanide, Ca~8~Mg~1.82~Li~1.18~Ge~8~","Zeitschrift für Kristallographie - New Crystal Structures","2001","216","4","507","509","","","","","","","","","","","","","","","","","","","","","","has coordinates","176466","2020-10-21","18:00:00","" "8101151","21.998","0.002","4.4738","0.0008","18.56","0.003","90","","90","","90","","1826.6","0.4","293","2","293","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- Ca8 Ge8 Li1.18 Mg1.82 -","- Ca8 Ge8 Li1.18 Mg1.82 -","- Ca32 Ge32 Li4.72 Mg7.28 -","4","0.5","","Zürcher, Fabio; Nesper, Reinhard","Crystal structure of octacalcium dimagnesium monolithium octasilicide, Ca~8~Mg~2.0~Li~1.0~Si~8~, and of octacalcium dimagnesium monolithium octagermanide, Ca~8~Mg~1.82~Li~1.18~Ge~8~","Zeitschrift für Kristallographie - New Crystal Structures","2001","216","4","507","509","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00","" "8101152","4.578","0.002","4.578","0.002","26.052","0.013","90","","90","","120","","472.9","0.4","293","2","293","2","","","","","","","","4","R -3 m :H","-R 3 2""","166","","","","- Ba Li2 Mg2 Si2 -","- Ba Li2 Mg2 Si2 -","- Ba3 Li6 Mg6 Si6 -","3","0.0833333","","Zürcher, Fabio; Wengert, Steffen; Nesper, Reinhard","Crystal structure of barium dimagnesium dilithium disilicide, BaMg~2~Li~2~Si~2~, and of barium dimagnesium dilithium digermanide, BaLi~2~Mg~2~Ge~2~","Zeitschrift für Kristallographie - New Crystal Structures","2001","216","4","503","504","","","","","","","","","","","","","","","","","","","","","","has coordinates","176728","2020-10-21","18:00:00","" "8101153","4.607","0.002","4.607","0.002","26.14","0.01","90","","90","","120","","480.5","0.3","298","2","298","2","","","","","","","","4","R -3 m :H","-R 3 2""","166","","","","- Ba Ge2 Li2 Mg2 -","- Ba Ge2 Li2 Mg2 -","- Ba3 Ge6 Li6 Mg6 -","3","0.0833333","","Zürcher, Fabio; Wengert, Steffen; Nesper, Reinhard","Crystal structure of barium dimagnesium dilithium disilicide, BaMg~2~Li~2~Si~2~, and of barium dimagnesium dilithium digermanide, BaLi~2~Mg~2~Ge~2~","Zeitschrift für Kristallographie - New Crystal Structures","2001","216","4","503","504","","","","","","","","0.0189","","","0.0535","","","","","","","","","","","has coordinates","176728","2020-10-21","18:00:00","" "8101154","9.521","0.003","9.521","0.003","9.521","0.003","90","","90","","90","","863.1","0.5","293","2","293","2","","","","","","","","3","I -4 3 d","I -4bd 2c 3","220","rubidium chloride oxide","","","- Cl2 O Rb4 -","- Cl2.01 O0.99 Rb4 -","- Cl8.04 O3.96 Rb16 -","4","0.0833333","","Mudring, Anja-Verena; Jansen, Martin","Crystal structure of tetrarubidium dichloride monooxide, Rb~4~(Cl~2~O)","Zeitschrift für Kristallographie - New Crystal Structures","2001","216","4","483","483","","","","","","","","","","","","","","","","","","","","","","has coordinates","176466","2020-10-21","18:00:00","" "8101155","13.828","0.007","13.482","0.005","6.808","0.003","90","","114.94","0.04","90","","1150.9","0.9","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- Bi2 K3 O12 P3 -","- Bi2 K3 O12 P3 -","- Bi8 K12 O48 P12 -","4","0.5","","Falah, Chiraz; Boughzala, Habib; Jouini, Tahar","Crystal structure of tripotassium dibismuth phosphate, K~3~Bi~2~(PO~4~)~3~","Zeitschrift für Kristallographie - New Crystal Structures","2001","216","4","493","494","","","","","","","","","","","","","","","","","","","","","","has coordinates","176728","2020-10-21","18:00:00","" "8103415","11.0947","","11.0947","","11.0947","","90","","90","","90","","1365.67","","","","","","","","","","","","","3","F -4 3 m","F -4 2 3","216","","Ag9 (Al1 Se6)","","- Ag9 Al Se6 -","- Ag8.964 Al Se6 -","- Ag35.856 Al4 Se24 -","4","0.0416667","","Deiseroth, H. J.; Zaiß, T.; Gaudin, E.","The argyrodite gamma-Ag~9~AlSe~6~: A non-metallic filled Laves phase","Zeitschrift für Kristallographie","2001","216","1","39","44","10.1524/zkri.216.1.39.19001","","","","","","","","","","","","","","","","","","","","","has coordinates","176466","2020-10-21","18:00:00","" "8103500","13.8","0.01","5.839","0.005","7.687","0.007","90","","106.04","0.05","90","","595.291","","","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2-amino, 5-bromo-pyridine","","- C5 H5 Br N2 -","- C5 H5 Br N2 -","- C20 H20 Br4 N8 -","4","1","","Goubitz, K.; Sonneveld, E. J.; Schenk, H.","Crystal structure determination of a series of small organic compounds from powder data","Zeitschrift für Kristallographie","2001","216","3","176","181","10.1524/zkri.216.3.176.20326","","","","","","","","","","","","","","","","","","","","","has coordinates","288314","2023-12-14","16:11:50","" "8103740","6.5124","","8.5914","","4.8936","","90","","102.683","","90","","267.119","","","","","","","","","","","","","4","C 1 2/m 1","-C 2y","12","","Fe In Ge2 O7","","- Fe Ge2 In O7 -","- Fe0.928 Ge2 In1.072 O7 -","- Fe1.856 Ge4 In2.144 O14 -","2","0.25","","Bucio, L.; Garcia-Robledo, J.; Ruvalcaba-Sil, J.L.; Orozco, E.","The crystal structure of Fe In Ge2 O7","Zeitschrift fuer Kristallographie (149,1979-)","2001","216","","438","441","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "8103742","11.48","","11.48","","20.958","","90","","90","","120","","2392.02","","","","","","","","","","","","","3","P -3","-P 3","147","","Sr1.143 Ti S3","","- S3 Sr1.143 Ti -","- S3 Sr1.14286 Ti -","- S63 Sr24 Ti21 -","21","3.5","","Gourdon, O.; Cario, L.; Petricek, V.; Evain, M.; Perez-Mato, J.M.","Synthesis, structure determination and twinning of two new composite compounds in the hexagonal perovskite-like sulfide family: Eu8/7 Ti S3 and Sr8/7 Ti S3","Zeitschrift fuer Kristallographie (149,1979-)","2001","216","","541","555","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "8103743","11.3892","","11.3892","","20.923","","90","","90","","120","","2350.4","","","","","","","","","","","","","3","P -3","-P 3","147","","Eu1.143 Ti S3","","- Eu1.143 S3 Ti -","- Eu1.14286 S3 Ti -","- Eu24 S63 Ti21 -","21","3.5","","Gourdon, O.; Cario, L.; Evain, M.; Petricek, V.; Perez-Mato, J.M.","Synthesis, structure determination and twinning of two new composite compounds in the hexagonal perovskite-like sulfide family: Eu8/7 Ti S3 and Sr8/7 Ti S3","Zeitschrift fuer Kristallographie (149,1979-)","2001","216","","541","555","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "8103744","5.1381","","5.1381","","13.8481","","90","","90","","120","","316.611","","","","","","","","","","","","","3","R 3 c :H","R 3 -2""c","161","","Li (Nb O3)","","- Li Nb O3 -","- Li Nb O3 -","- Li6 Nb6 O18 -","6","0.333333","","Etschmann, B.E.; Oishi, S.; Streltsov, V.; Ishizawa, N.","A synchrotron X-ray diffraction analysis of near-stoichiometric Li Nb O3","Zeitschrift fuer Kristallographie (149,1979-)","2001","216","","455","461","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "8103751","5.148","","5.148","","11.173","","90","","90","","90","","296.106","","","","","","","","","","","","","4","I 41/a :2","-I 4ad","88","","(Li1.02 Y0.98) (Mo O4)2","","- Li1.02 Mo2 O8 Y0.98 -","- Li0.974 Mo2 O8 Y1.026 -","- Li1.948 Mo4 O16 Y2.052 -","2","0.125","","Kolitsch, U.","The crystal structures of phenacite-type Li2 (Mo O4), and scheelite-type Li Y (Mo O4)2 and Li Nd (Mo O4)2","Zeitschrift fuer Kristallographie (149,1979-)","2001","216","","449","454","","","","","","","","","","","","","","","","","","","","","","has coordinates","157046","2020-10-21","18:00:00","" "8103752","5.243","","5.243","","11.44","","90","","90","","90","","314.475","","","","","","","","","","","","","4","I 41/a :2","-I 4ad","88","","(Li Nd) (Mo O4)2","","- Li Mo2 Nd O8 -","- Li0.994 Mo2 Nd1.006 O8 -","- Li1.988 Mo4 Nd2.012 O16 -","2","0.125","","Kolitsch, U.","The crystal structures of phenacite-type Li2 (Mo O4), and scheelite-type Li Y (Mo O4)2 and Li Nd (Mo O4)2","Zeitschrift fuer Kristallographie (149,1979-)","2001","216","","449","454","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "8103764","14.539","","5.605","","10.782","","90","","97.75","","90","","870.611","","","","","","","","","","","","","3","P 1 21 1","P 2yb","4","","Bi4 O5 Br2","","- Bi4 Br2 O5 -","- Bi4 Br2 O5 -","- Bi16 Br8 O20 -","4","2","","Keller, E.; Ketterer, J.; Kraemer, V.","Crystal structure and twinning of Bi4 O5 Br2","Zeitschrift fuer Kristallographie (149,1979-)","2001","216","","595","599","","","","","","","","","","","","","","","","","","","","","","has coordinates","157164","2020-10-21","18:00:00","" "8103767","5.196","","8.475","","8.868","","90","","105.05","","90","","377.117","","","","","","","","","","","","","6","P 1 21 1","P 2yb","4","","K Li ((N H2) S O3)2","","- H4 K Li N2 O6 S2 -","- H4 K Li N2 O6 S2 -","- H8 K2 Li2 N4 O12 S4 -","2","1","","Meinhart, A.; Bohaty, L.; Haussuehl, E.; Tillmanns, E.","Crystal structures of sulfamates Me Li (N H2 S O3)2 (Me: K, Rb and Cs) and physical properties of K Li (N H2 S O3)2 (refractive indices, thermal expansion, elastic properties)","Zeitschrift fuer Kristallographie (149,1979-)","2001","216","","513","521","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "8103768","7.844","","9.804","","10.825","","108.77","","93.29","","98.64","","774.267","","","","","","","","","","","","","6","P -1","-P 1","2","","Rb Li ((N H2) S O3)2","","- H4 Li N2 O6 Rb S2 -","- H4 Li N2 O6 Rb S2 -","- H16 Li4 N8 O24 Rb4 S8 -","4","2","","Meinhart, A.; Haussuehl, E.; Bohaty, L.; Tillmanns, E.","Crystal structures of sulfamates Me Li (N H2 S O3)2 (Me: K, Rb and Cs) and physical properties of K Li (N H2 S O3)2 (refractive indices, thermal expansion, elastic properties)","Zeitschrift fuer Kristallographie (149,1979-)","2001","216","","513","521","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "8103769","5.535","","7.877","","9.857","","74.07","","76.53","","87.07","","401.848","","","","","","","","","","","","","6","P -1","-P 1","2","","Cs Li ((N H2) S O3)2","","- Cs H4 Li N2 O6 S2 -","- Cs H4 Li N2 O6 S2 -","- Cs2 H8 Li2 N4 O12 S4 -","2","1","","Meinhart, A.; Haussuehl, E.; Bohaty, L.; Tillmanns, E.","Crystal structures of sulfamates Me Li (N H2 S O3)2 (Me: K, Rb and Cs) and physical properties of K Li (N H2 S O3)2 (refractive indices, thermal expansion, elastic properties)","Zeitschrift fuer Kristallographie (149,1979-)","2001","216","","513","521","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "8103780","5.3746","","6.626","","12.3945","","90","","98.663","","90","","436.358","","","","","","","","","","","","","4","P 1 21 1","P 2yb","4","","Zr (H2 P O4) (P O4) (H2 O)2","","- H6 O10 P2 Zr -","- H6 O10 P2 Zr -","- H12 O20 P4 Zr2 -","2","1","","Salvado, M.A.; Pertierra, P.; Barcina, L.M.; Llavona, R.; Garcia-Granda, S.; Rodriguez, J.","Hydrogen bond network of the layered phosphates gamma-(Zr (H2 P O4) (P O4) * 2(H2 O)) and gamma-(Hf (H2 P O4) (P O4) * 2(H2 O)) determined by neutron powder diffraction","Zeitschrift fuer Kristallographie (149,1979-)","2001","216","","326","330","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "8103781","5.349","","6.5924","","12.398","","90","","98.54","","90","","432.34","","","","","","","","","","","","","4","P 1 21 1","P 2yb","4","","Hf (H2 P O4) (P O4) (H2 O)2","","- H6 Hf O10 P2 -","- H6 Hf O10 P2 -","- H12 Hf2 O20 P4 -","2","1","","Salvado, M.A.; Llavona, R.; Pertierra, P.; Barcina, L.M.; Garcia-Granda, S.; Rodriguez, J.","Hydrogen bond network of the layered phosphates gamma-(Zr (H2 P O4) (P O4) * 2(H2 O)) and gamma-(Hf (H2 P O4) (P O4) * 2(H2 O)) determined by neutron powder diffraction","Zeitschrift fuer Kristallographie (149,1979-)","2001","216","","326","330","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "8103786","9.456","","13.3304","","13.3011","","90","","90","","90","","1676.63","","","","","","","","","","","","","4","P n a 21","P 2c -2n","33","","Sr8 (Al12 O24) (Cr O4)2","","- Al12 Cr2 O32 Sr8 -","- Al12 Cr2 O32 Sr8 -","- Al24 Cr4 O64 Sr16 -","2","0.5","","Toebbens, D.M.; Depmeier, W.","Superstructure of strontium chromate aluminate sodalite at low temperatures","Zeitschrift fuer Kristallographie (149,1979-)","2001","216","","586","590","","","","","","","","","","","","","","","","","","","","","","has coordinates","157941","2020-10-21","18:00:00","" "8103787","13.3624","","13.3624","","9.4308","","90","","90","","90","","1683.91","","","","","","","","","","","","","4","P 42/n c m :2","-P 4ac 2ac","138","","Sr8 (Al12 O24) (Cr O4)2","","- Al12 Cr2 O32 Sr8 -","- Al12 Cr2 O32.08 Sr8 -","- Al24 Cr4 O64.16 Sr16 -","2","0.125","","Toebbens, D.M.; Depmeier, W.","The intermediate phase of strontium chromate aluminate sodalite","Zeitschrift fuer Kristallographie (149,1979-)","2001","216","","611","615","","","","","","","","","","","","","","","","","","","","","","has coordinates","157944","2020-10-21","18:00:00","" "8103788","4.834","","8.3096","","8.9353","","90","","90","","90","","358.919","","","","","","","","","","","","","2","P n a 21","P 2c -2n","33","","","","- Al2 O3 -","- Al2 O3 -","- Al16 O24 -","8","2","","Smrcok, L.; Halvarsson, M.; Langer, V.; Ruppi, S.","A new Rietveld refinement of kappa-(Al2 O3)","Zeitschrift fuer Kristallographie (149,1979-)","2001","216","","409","412","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00","" "8103859","8.346","","14.472","","21.1","","90","","91","","90","","2548.14","","","","","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","Cs3 (Bi2 I9)","","- Bi2 Cs3 I9 -","- Bi2 Cs3 I9 -","- Bi8 Cs12 I36 -","4","0.5","","Arakcheeva, A.V.; Chapuis, G.; Meyer, M.","The LT phase of Cs3 Bi2 I9","Zeitschrift fuer Kristallographie (149,1979-)","2001","216","","199","205","","","","","","","","","","","","","","","","","","","","","","has coordinates","161524","2020-10-21","18:00:00","" "8104133","16.265","","5.3439","","23.02","","90","","90","","90","","2000.86","","","","","","","","","","","","","3","I b c a","-I 2b 2c","73","","Bi5 O7 I","","- Bi5 I O7 -","- Bi5 I O7 -","- Bi40 I8 O56 -","8","0.5","","Eggenweiler, U.; Ketterer, J.; Keller, E.; Kraemer, V.","The crystal structure of alpha-Bi5 O7 I","Zeitschrift fuer Kristallographie (149,1979-)","2001","216","","230","233","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "9002511","4.7579","","10.2151","","5.989","","90","","90","","90","","291.08","","","","","","","","","","","","","4","P b n m","-P 2c 2ab","62","","","Olivine","- Fe0.16 Mg1.84 O4 Si -","- Fe0.16 Mg1.84 O4 Si -","- Fe0.64 Mg7.36 O16 Si4 -","4","0.5","","Merli, M.; Oberti, R.; Caucia, F.; Ungaretti, L.","Determination of site population in olivine: Warnings on X-ray data treatment and refinement Sample: F-refinement using CRYSTALS, the ""best"" model Fo92Fa08","American Mineralogist","2001","86","","55","65","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:29","" "9002512","4.7579","","10.2151","","5.989","","90","","90","","90","","291.08","","","","","","","","","","","","","4","P b n m","-P 2c 2ab","62","","","Olivine","- Fe0.16 Mg1.84 O4 Si -","- Fe0.16 Mg1.84 O4 Si -","- Fe0.64 Mg7.36 O16 Si4 -","4","0.5","","Oberti, R.; Caucia, F.; Ungaretti, L.","Determination of site population in olivine: Warnings on X-ray data treatment and refinement Sample: F**2-refinement using CRYSTALS Fo92Fa08","American Mineralogist","2001","86","","55","65","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:29","" "9002513","4.7579","","10.2151","","5.989","","90","","90","","90","","291.08","","","","","","","","","","","","","4","P b n m","-P 2c 2ab","62","","","Olivine","- Fe0.15 Mg1.85 O4 Si -","- Fe0.15 Mg1.85 O4 Si -","- Fe0.6 Mg7.4 O16 Si4 -","4","0.5","","Merli, M.; Oberti, R.; Caucia, F.; Ungaretti, L.","Determination of site population in olivine: Warnings on X-ray data treatment and refinement Sample: F**2-refinement using SHELX-97 Fo92Fa08","American Mineralogist","2001","86","","55","65","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:29","" "9002514","4.7579","","10.2151","","5.989","","90","","90","","90","","291.08","","","","","","","","","","","","","4","P b n m","-P 2c 2ab","62","","","Olivine","- Fe0.15 Mg1.85 O4 Si -","- Fe0.15 Mg1.85 O4 Si -","- Fe0.6 Mg7.4 O16 Si4 -","4","0.5","","Merli, M.; Oberti, R.; Caucia, F.; Ungaretti, L.","Determination of site population in olivine: Warnings on X-ray data treatment and refinement Sample: F-refinement using CRYSTALS on the 2491 reflections with Fo/sFo>1 Fo92Fa08","American Mineralogist","2001","86","","55","65","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:29","" "9002515","4.7579","","10.2151","","5.989","","90","","90","","90","","291.08","","","","","","","","","","","","","4","P b n m","-P 2c 2ab","62","","","Olivine","- Fe0.15 Mg1.85 O4 Si -","- Fe0.15 Mg1.85 O4 Si -","- Fe0.6 Mg7.4 O16 Si4 -","4","0.5","","Merli, M.; Oberti, R.; Caucia, F.; Ungaretti, L.","Determination of site population in olivine: Warnings on X-ray data treatment and refinement Sample: F-refinement using CRYSTALS on the 463 reflections with sin(theta)/lambda>.7 Fo92Fa08","American Mineralogist","2001","86","","55","65","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:29","" "9002516","17.0568","","9.7154","","9.3472","","90","","90","","90","","1548.96","","","","","","","","","","","","","7","C c c m","-C 2 2c","66","","","Cordierite","- Al3.982 Fe0.034 H2 Mg1.984 Na0.044 O18.54 Si5 -","- Al3.982 Fe0.034 H1.08 Mg1.984 Na0.044 O18.54 Si5 -","- Al15.928 Fe0.136 H4.32 Mg7.936 Na0.176 O74.16 Si20 -","4","0.25","","Malcherek, T.; Domeneghetti, M. C.; Tazzoli, V.; Ottolini, L.; McCammon, C. A.; Carpenter, M. A.","Structural properties of ferromagnesian cordierites Sample: 1997-1 SE-India","American Mineralogist","2001","86","","66","79","","","","","","","","","","","","","","","","","","","","","","has coordinates","284046","2023-05-28","13:38:57","" "9002517","17.0645","","9.7281","","9.3515","","90","","90","","90","","1552.4","","","","","","","","","","","","","8","C c c m","-C 2 2c","66","","","Cordierite","- C0.192 H2 Al3.97 Fe0.204 Mg1.834 Na0.084 O18.764 Si4.992 -","- C0.192 H0.76 Al3.97 Fe0.204 Mg1.834 Na0.084 O18.764 Si4.992 -","- C0.768 H3.04 Al15.88 Fe0.816 Mg7.336 Na0.336 O75.056 Si19.968 -","4","0.25","","Malcherek, T.; Domeneghetti, M. C.; Tazzoli, V.; Ottolini, L.; McCammon, C. A.; Carpenter, M. A.","Structural properties of ferromagnesian cordierites Sample: 126231 Tanzania","American Mineralogist","2001","86","","66","79","","","","","","","","","","","","","","","","","","","","","","has coordinates","284046","2023-05-28","13:38:59","" "9002518","17.0807","","9.7307","","9.3427","","90","","90","","90","","1552.82","","","","","","","","","","","","","7","C c c m","-C 2 2c","66","","","Cordierite","- Al3.964 Fe0.284 H0.168 Mg1.752 Na0.052 O18.39 Si5 -","- Al3.964 Fe0.284 H0.78 Mg1.752 Na0.052 O18.39 Si5 -","- Al15.856 Fe1.136 H3.12 Mg7.008 Na0.208 O73.56 Si20 -","4","0.25","","Malcherek, T.; Domeneghetti, M. C.; Tazzoli, V.; Ottolini, L.; McCammon, C. A.; Carpenter, M. A.","Structural properties of ferromagnesian cordierites Sample: Zimbabwe","American Mineralogist","2001","86","","66","79","","","","","","","","","","","","","","","","","","","","","","has coordinates","284046","2023-05-28","13:39:09","" "9002519","17.0994","","9.7358","","9.336","","90","","90","","90","","1554.22","","","","","","","","","","","","","7","C c c m","-C 2 2c","66","","","Cordierite","- Al3.972 Fe0.424 H0.168 Mg1.604 Na0.046 O18.5 Si5 -","- Al3.972 Fe0.424 H Mg1.604 Na0.046 O18.5 Si5 -","- Al15.888 Fe1.696 H4 Mg6.416 Na0.184 O74 Si20 -","4","0.25","","Malcherek, T.; Domeneghetti, M. C.; Tazzoli, V.; Ottolini, L.; McCammon, C. A.; Carpenter, M. A.","Structural properties of ferromagnesian cordierites Sample: 1960728, Orijarvi, Finland","American Mineralogist","2001","86","","66","79","","","","","","","","","","","","","","","","","","","","","","has coordinates","284046","2023-05-28","13:39:12","" "9002520","17.0987","","9.7388","","9.3347","","90","","90","","90","","1554.42","","","","","","","","","","","","","7","C c c m","-C 2 2c","66","","","Cordierite","- Al3.962 Fe0.432 H0.384 Mg1.614 Na0.056 O18.55 Si4.992 -","- Al3.962 Fe0.432 H1.1 Mg1.614 Na0.056 O18.55 Si4.992 -","- Al15.848 Fe1.728 H4.4 Mg6.456 Na0.224 O74.2 Si19.968 -","4","0.25","","Malcherek, T.; Domeneghetti, M. C.; Tazzoli, V.; Ottolini, L.; McCammon, C. A.; Carpenter, M. A.","Structural properties of ferromagnesian cordierites Sample: 85131, Mt Bity, Madagaskar","American Mineralogist","2001","86","","66","79","","","","","","","","","","","","","","","","","","","","","","has coordinates","284046","2023-05-28","13:39:12","" "9002521","17.2232","","9.8261","","9.2989","","90","","90","","90","","1573.72","","","","","","","","","","","","","8","C c c m","-C 2 2c","66","","","Cordierite","- Al3.968 Fe1.813 H0.384 Li0.07 Mg0.154 Na0.162 O18.43 Si4.995 -","- Al3.968 Fe1.813 H0.86 Li0.07 Mg0.154 Na0.162 O18.43 Si4.995 -","- Al15.872 Fe7.252 H3.44 Li0.28 Mg0.616 Na0.648 O73.72 Si19.98 -","4","0.25","","Malcherek, T.; Domeneghetti, M. C.; Tazzoli, V.; Ottolini, L.; McCammon, C. A.; Carpenter, M. A.","Structural properties of ferromagnesian cordierites Sample: g13994, Dolny Bory , Czech Republic","American Mineralogist","2001","86","","66","79","","","","","","","","","","","","","","","","","","","","","","has coordinates","284046","2023-05-28","13:39:21","" "9002522","17.071","","9.717","","9.3479","","90","","90","","90","","1550.62","","","","1173.15","","","","","","","","","6","C c c m","-C 2 2c","66","","","Cordierite","- Al3.976 Fe0.054 Mg1.976 Na0.067 O18 Si4.994 -","- Al3.976 Fe0.054 Mg1.976 Na0.067 O18 Si4.994 -","- Al15.904 Fe0.216 Mg7.904 Na0.268 O72 Si19.976 -","4","0.25","","Malcherek, T.; Domeneghetti, M. C.; Tazzoli, V.; Ottolini, L.; McCammon, C. A.; Carpenter, M. A.","Structural properties of ferromagnesian cordierites Sample: 1997-1 SE-India, T = 900 C, t = 24 h, in air","American Mineralogist","2001","86","","66","79","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:29","" "9002523","17.089","","9.729","","9.35","","90","","90","","90","","1554.52","","","","1173.15","","","","","","","","","6","C c c m","-C 2 2c","66","","","Cordierite","- Al3.976 Fe0.208 Mg1.816 Na0.086 O18 Si5 -","- Al3.976 Fe0.208 Mg1.816 Na0.086 O18 Si5 -","- Al15.904 Fe0.832 Mg7.264 Na0.344 O72 Si20 -","4","0.25","","Malcherek, T.; Domeneghetti, M. C.; Tazzoli, V.; Ottolini, L.; McCammon, C. A.; Carpenter, M. A.","Structural properties of ferromagnesian cordierites Sample:126231 Tanzania, T = 900 C, t = 24h","American Mineralogist","2001","86","","66","79","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:29","" "9002524","17.096","","9.729","","9.342","","90","","90","","90","","1553.83","","","","1173.15","","","","","","","","","6","C c c m","-C 2 2c","66","","","Cordierite","- Al3.984 Fe0.266 Mg1.75 Na0.074 O18 Si5 -","- Al3.984 Fe0.266 Mg1.75 Na0.074 O18 Si5 -","- Al15.936 Fe1.064 Mg7 Na0.296 O72 Si20 -","4","0.25","","Malcherek, T.; Domeneghetti, M. C.; Tazzoli, V.; Ottolini, L.; McCammon, C. A.; Carpenter, M. A.","Structural properties of ferromagnesian cordierites Sample: Zimbabwe, T = 900 C, t = 24h","American Mineralogist","2001","86","","66","79","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:29","" "9002525","17.1135","","9.7359","","9.333","","90","","90","","90","","1555.02","","","","1173.15","","","","","","","","","6","C c c m","-C 2 2c","66","","","Cordierite","- Al3.976 Fe0.404 Mg1.62 Na0.052 O18 Si5 -","- Al3.976 Fe0.404 Mg1.62 Na0.052 O18 Si5 -","- Al15.904 Fe1.616 Mg6.48 Na0.208 O72 Si20 -","4","0.25","","Malcherek, T.; Domeneghetti, M. C.; Tazzoli, V.; Ottolini, L.; McCammon, C. A.; Carpenter, M. A.","Structural properties of ferromagnesian cordierites Sample: 85131, Mt. Bity, Madagaskar, T = 900 C, t = 24 h","American Mineralogist","2001","86","","66","79","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:29","" "9002526","17.119","","9.735","","9.334","","90","","90","","90","","1555.54","","","","1173.15","","","","","","","","","6","C c c m","-C 2 2c","66","","","Cordierite","- Al3.974 Fe0.453 Mg1.582 Na0.038 O18 Si4.991 -","- Al3.974 Fe0.453 Mg1.582 Na0.038 O18 Si4.991 -","- Al15.896 Fe1.812 Mg6.328 Na0.152 O72 Si19.964 -","4","0.25","","Malcherek, T.; Domeneghetti, M. C.; Tazzoli, V.; Ottolini, L.; McCammon, C. A.; Carpenter, M. A.","Structural properties of ferromagnesian cordierites Sample: 1960728 Orijarvi, Finland, T = 900 C, t = 24 h","American Mineralogist","2001","86","","66","79","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:29","" "9002527","17.132","","9.744","","9.33","","90","","90","","90","","1557.5","","","","1173.15","","","","","","","","","6","C c c m","-C 2 2c","66","","","Cordierite","- Al3.976 Fe0.581 Mg1.45 Na0.021 O18 Si4.993 -","- Al3.976 Fe0.581 Mg1.45 Na0.021 O18 Si4.993 -","- Al15.904 Fe2.324 Mg5.8 Na0.084 O72 Si19.972 -","4","0.25","","Malcherek, T.; Domeneghetti, M. C.; Tazzoli, V.; Ottolini, L.; McCammon, C. A.; Carpenter, M. A.","Structural properties of ferromagnesian cordierites Sample: Great Bear Lake, T = 900 C, t = 24 h","American Mineralogist","2001","86","","66","79","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:29","" "9002528","17.138","","9.751","","9.328","","90","","90","","90","","1558.83","","","","1173.15","","","","","","","","","6","C c c m","-C 2 2c","66","","","Cordierite","- Al3.99 Fe0.588 Mg1.542 Na0.066 O18 Si5 -","- Al3.99 Fe0.588 Mg1.542 Na0.066 O18 Si5 -","- Al15.96 Fe2.352 Mg6.168 Na0.264 O72 Si20 -","4","0.25","","Malcherek, T.; Domeneghetti, M. C.; Tazzoli, V.; Ottolini, L.; McCammon, C. A.; Carpenter, M. A.","Structural properties of ferromagnesian cordierites Sample: 94755, Tincup mining district, Wyoming, T = 900 C, t = 24 h","American Mineralogist","2001","86","","66","79","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:29","" "9002529","17.172","","9.766","","9.3142","","90","","90","","90","","1562.01","","","","1173.15","","","","","","","","","6","C c c m","-C 2 2c","66","","","Cordierite","- Al3.982 Fe1.03 Mg0.988 Na0.037 O18 Si5 -","- Al3.982 Fe1.03 Mg0.988 Na0.037 O18 Si5 -","- Al15.928 Fe4.12 Mg3.952 Na0.148 O72 Si20 -","4","0.25","","Malcherek, T.; Domeneghetti, M. C.; Tazzoli, V.; Ottolini, L.; McCammon, C. A.; Carpenter, M. A.","Structural properties of ferromagnesian cordierites Sample: 111249, Cerro del Hoyazo, Spain, T = 900 C, t = 24 h","American Mineralogist","2001","86","","66","79","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:29","" "9002530","12.468","","12.468","","11.894","","90","","90","","90","","1848.93","","","","100","","","","","","","","","6","I 41/a c d :2","-I 4bd 2c","142","","","Henritermierite","- Al0.066 Ca3 H3.8 Mn1.934 O11.992 Si2.044 -","- Al0.066 Ca3 H3.8 Mn1.934 O11.992 Si2.044 -","- Al0.528 Ca24 H30.4 Mn15.472 O95.936 Si16.352 -","8","0.25","","Armbruster, T.; Kohler, T.; Libowitzky, E.; Friedrich, A.; Miletich, R.; Kunz, M.; Medenbach, O.; Gutzmer, J.","Structure, compressibility, hydrogen bonding, and dehydration of the tetragonal Mn3+ hydrogarnet, henritermierite Sample: T = 100 K","American Mineralogist","2001","86","","147","158","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:29","" "9002531","12.489","","12.489","","11.909","","90","","90","","90","","1857.51","","","","293","","","","","","","","","6","I 41/a c d :2","-I 4bd 2c","142","","","Henritermierite","- Al0.066 Ca3 H3.8 Mn1.934 O11.964 Si2.047 -","- Al0.066 Ca3 H3.8 Mn1.934 O11.964 Si2.047 -","- Al0.528 Ca24 H30.4 Mn15.472 O95.712 Si16.376 -","8","0.25","","Armbruster, T.; Kohler, T.; Libowitzky, E.; Friedrich, A.; Miletich, R.; Kunz, M.; Medenbach, O.; Gutzmer, J.","Structure, compressibility, hydrogen bonding, and dehydration of the tetragonal Mn3+ hydrogarnet, henritermierite Sample: T = 293 K","American Mineralogist","2001","86","","147","158","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:29","" "9002532","12.1577","","12.1577","","11.6919","","90","","90","","90","","1728.18","","","","","","","","8600000","","","","","5","I 41/a c d :2","-I 4bd 2c","142","","","Henritermierite","- Ca3 H3.8 Mn2 O12 Si1.941 -","- Ca3 H3.8 Mn2 O12 Si1.941 -","- Ca24 H30.4 Mn16 O96 Si15.528 -","8","0.25","","Armbruster, T.; Kohler, T.; Libowitzky, E.; Friedrich, A.; Miletich, R.; Kunz, M.; Medenbach, O.; Gutzmer, J.","Structure, compressibility, hydrogen bonding, and dehydration of the tetragonal Mn3+ hydrogarnet, henritermierite Sample: P = 8.6 GPa","American Mineralogist","2001","86","","147","158","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:29","" "9002533","12.1225","","12.1225","","12.1225","","90","","90","","90","","1781.46","","","","293","","","","","","after heating to 800 K","","","4","I a -3 d","-I 4bd 2c 3","230","","","Henritermierite","- Ca3 Mn2.264 O12 Si2.43 -","- Ca3 Mn2.264 O12 Si2.43 -","- Ca24 Mn18.112 O96 Si19.44 -","8","0.0833333","","Armbruster, T.; Kohler, T.; Libowitzky, E.; Friedrich, A.; Miletich, R.; Kunz, M.; Medenbach, O.; Gutzmer, J.","Structure, compressibility, hydrogen bonding, and dehydration of the tetragonal Mn hydrogarnet, henritermierite Sample: T = 293 K after heating to 800 K","American Mineralogist","2001","86","","147","158","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:29","" "9002534","12.6666","","12.6666","","5.1808","","90","","90","","120","","719.859","","","","296","","","","","","","","","6","P 63","P 6c","173","","","Cancrinite","- Al3 H1.17 N0.87 Na3.96 O15.78 Si3 -","- Al3 H1.17 N0.87 Na3.96 O15.78 Si3 -","- Al6 H2.34 N1.74 Na7.92 O31.56 Si6 -","2","0.333333","","Fechtelkord, M.; Stief, F.; Buhl, J.-C.","Sodium cation dynamics in nitrate cancrinite: A low and high temperature Na and H MAS NMR study and high temperature Rietveld structure refinement Sample: T = 296 K","American Mineralogist","2001","86","","165","175","","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:51:36","" "9002535","12.7261","","12.7261","","5.2214","","90","","90","","120","","732.332","","","","673","","","","","","","","","6","P 63","P 6c","173","","","Cancrinite","- Al3 H0.08 N0.82 Na3.87 O14.54 Si3 -","- Al3 H0.08 N0.82 Na3.87 O14.54 Si3 -","- Al6 H0.16 N1.64 Na7.74 O29.08 Si6 -","2","0.333333","","Fechtelkord, M.; Stief, F.; Buhl, J.-C.","Sodium cation dynamics in nitrate cancrinite: A low and high temperature Na and H MAS NMR study and high temperature Rietveld structure refinement Sample: T = 673 K","American Mineralogist","2001","86","","165","175","","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:51:36","" "9002536","4.74711","","10.34888","","7.90228","","108.678","","90","","90","","367.771","","","","","","","","","","","","","4","P 21/b 1 1","-P 2xab","14","","","Chondrodite (deuterated)","- D4 Mg5 O10 Si2 -","- D4 Mg5 O10 Si2 -","- D8 Mg10 O20 Si4 -","2","0.5","","Lager, G. A.; Ulmer, P.; Miletich, R.; Marshall, W. G.","O-D...O bond geometry in OD-chondrodite","American Mineralogist","2001","86","","176","180","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:29","" "9002537","4.7488","","10.2875","","13.6967","","100.63","","90","","90","","657.646","","","","","","","","","","","","","4","P 21/b 1 1","-P 2xab","14","","","Hydroxylclinohumite (deuterated)","- D2 Mg9 O18 Si4 -","- D2 Mg9 O18 Si4 -","- D4 Mg18 O36 Si8 -","2","0.5","","Berry, A. J.; James, M.","Refinement of hydrogen positions in synthetic hydroxyl-clinohumite by powder neutron diffraction","American Mineralogist","2001","86","","181","184","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:29","" "9002538","6.732","","14.0157","","10.0607","","90","","111.189","","90","","885.087","","","","315","","","","","","","","","4","P 1 c 1","P -2yc","7","","","Yugawaralite","- Al2 Ca O20.29 Si6 -","- Al2 Ca O20.29 Si6 -","- Al4 Ca2 O40.58 Si12 -","2","1","","Artioli, G.; Stahl, K.; Cruciani, G.; Gualtieri, A.; Hanson, J. C.","In situ dehydration of yugawaralite Sample: at T = 315 K","American Mineralogist","2001","86","","185","192","","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:51:36","" "9002539","6.75075","","14.0285","","10.0289","","90","","111.216","","90","","885.393","","","","454","","","","","","","","","4","P 1 c 1","P -2yc","7","","","Yugawaralite","- Al2 Ca O19.69 Si6 -","- Al2 Ca O19.69 Si6 -","- Al4 Ca2 O39.38 Si12 -","2","1","","Artioli, G.; Stahl, K.; Cruciani, G.; Gualtieri, A.; Hanson, J. C.","In situ dehydration of yugawaralite Sample: at T = 454 K","American Mineralogist","2001","86","","185","192","","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:51:36","" "9002540","6.7836","","13.9842","","10.0736","","90","","111.443","","90","","889.468","","","","581","","","","","","","","","4","P 1 c 1","P -2yc","7","","","Yugawaralite","- Al2 Ca O19.07 Si6 -","- Al2 Ca O19.07 Si6 -","- Al4 Ca2 O38.14 Si12 -","2","1","","Artioli, G.; Stahl, K.; Cruciani, G.; Gualtieri, A.; Hanson, J. C.","In situ dehydration of yugawaralite Sample: at T = 581 K","American Mineralogist","2001","86","","185","192","","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:51:36","" "9002541","13.532","","13.532","","9.044","","90","","90","","120","","1434.22","","","","","","","","","","","","","4","R 3 :H","R 3","146","","","Eucryptite","- Al Li O4 Si -","- Al Li O4 Si -","- Al18 Li18 O72 Si18 -","18","2","","Daniels, P.; Fyfe, C. A.","Al, Si order in the crystal structure of alpha-eucryptite (LiAlSiO4)","American Mineralogist","2001","86","","279","283","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:29","" "9002542","13.532","","13.532","","9.044","","90","","90","","120","","1434.22","","","","","","","","","","","","","4","R -3 :H","-R 3","148","","","Eucryptite","- Al Li O4 Si -","- Al Li O4 Si -","- Al18 Li18 O72 Si18 -","18","1","","Daniels, P.; Fyfe, C. A.","Al, Si order in the crystal structure of alpha-eucryptite (LiAlSiO4) Not the correct model","American Mineralogist","2001","86","","279","283","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:29","" "9002543","5.86465","","8.7652","","13.1002","","90","","90","","90","","673.414","","","","2","","","","","","","","","6","P 21 c n","P -2n 2a","33","","","Lawsonite (deuterated)","- Al1.94 Ca D4 Fe0.06 O10 Si2 -","- Al1.94 Ca D4 Fe0.06 O10 Si2 -","- Al7.76 Ca4 D16 Fe0.24 O40 Si8 -","4","1","","Meyer, H.; Marion, S.; Sondergeld, P.; Carpenter, M. A.; Knight, K. S.; Redfern, S. A. T.; Dove, M. T.","Displacive components of the low-temperature phase transitions in lawsonite T = 2 K","American Mineralogist","2001","86","","566","577","","","","","","","","","","","","","","","","","","","","","","has coordinates","283960","2023-05-23","08:42:00","" "9002544","5.8639","","8.76442","","13.099","","90","","90","","90","","673.206","","","","50","","","","","","","","","6","P 21 c n","P -2n 2a","33","","","Lawsonite (deuterated)","- Al1.94 Ca D4 Fe0.06 O10 Si2 -","- Al1.94 Ca D4 Fe0.06 O10 Si2 -","- Al7.76 Ca4 D16 Fe0.24 O40 Si8 -","4","1","","Meyer, H. W.; Marion, S.; Sondergeld, P.; Carpenter, M. A.; Knight, K. S.; Redfern, S. A. T.; Dove, M. T.","Displacive components of the low-temperature phase transitions in lawsonite T = 50 K","American Mineralogist","2001","86","","566","577","","","","","","","","","","","","","","","","","","","","","","has coordinates","283960","2023-05-23","08:42:00","" "9002545","5.86332","","8.76659","","13.1021","","90","","90","","90","","673.465","","","","100","","","","","","","","","6","P 21 c n","P -2n 2a","33","","","Lawsonite (deuterated)","- Al1.94 Ca D4 Fe0.06 O10 Si2 -","- Al1.94 Ca D4 Fe0.06 O10 Si2 -","- Al7.76 Ca4 D16 Fe0.24 O40 Si8 -","4","1","","Meyer, H. W.; Marion, S.; Sondergeld, P.; Carpenter, M. A.; Knight, K. S.; Redfern, S. A. T.; Dove, M. T.","Displacive components of the low-temperature phase transitions in lawsonite T = 100 K","American Mineralogist","2001","86","","566","577","","","","","","","","","","","","","","","","","","","","","","has coordinates","283960","2023-05-23","08:42:00","" "9002546","5.86243","","8.76981","","13.1063","","90","","90","","90","","673.826","","","","130","","","","","","","","","6","P m c n","-P 2n 2a","62","","","Lawsonite (deuterated)","- Al1.94 Ca D4 Fe0.06 O10 Si2 -","- Al1.94 Ca D4 Fe0.06 O10 Si2 -","- Al7.76 Ca4 D16 Fe0.24 O40 Si8 -","4","0.5","","Meyer, H. W.; Marion, S.; Sondergeld, P.; Carpenter, M. A.; Knight, K. S.; Redfern, S. A. T.; Dove, M. T.","Displacive components of the low-temperature phase transitions in lawsonite T = 130 K","American Mineralogist","2001","86","","566","577","","","","","","","","","","","","","","","","","","","","","","has coordinates","283960","2023-05-23","08:42:00","" "9002547","5.86092","","8.77586","","13.1132","","90","","90","","90","","674.472","","","","175","","","","","","","","","6","P m c n","-P 2n 2a","62","","","Lawsonite (deuterated)","- Al1.94 Ca D4 Fe0.06 O10 Si2 -","- Al1.94 Ca D4 Fe0.06 O10 Si2 -","- Al7.76 Ca4 D16 Fe0.24 O40 Si8 -","4","0.5","","Meyer, H. W.; Marion, S.; Sondergeld, P.; Carpenter, M. A.; Knight, K. S.; Redfern, S. A. T.; Dove, M. T.","Displacive components of the low-temperature phase transitions in lawsonite T = 175 K","American Mineralogist","2001","86","","566","577","","","","","","","","","","","","","","","","","","","","","","has coordinates","283960","2023-05-23","08:42:00","" "9002548","5.85942","","8.78269","","13.1209","","90","","90","","90","","675.221","","","","225","","","","","","","","","6","P m c n","-P 2n 2a","62","","","Lawsonite (deuterated)","- Al1.94 Ca D4 Fe0.06 O10 Si2 -","- Al1.94 Ca D4 Fe0.06 O10 Si2 -","- Al7.76 Ca4 D16 Fe0.24 O40 Si8 -","4","0.5","","Meyer, H. W.; Marion, S.; Sondergeld, P.; Carpenter, M. A.; Knight, K. S.; Redfern, S. A. T.; Dove, M. T.","Displacive components of the low-temperature phase transitions in lawsonite T = 225 K","American Mineralogist","2001","86","","566","577","","","","","","","","","","","","","","","","","","","","","","has coordinates","283960","2023-05-23","08:42:00","" "9002549","5.85539","","8.79152","","13.1326","","90","","90","","90","","676.037","","","","268","","","","","","","","","6","P m c n","-P 2n 2a","62","","","Lawsonite (deuterated)","- Al1.94 Ca D4 Fe0.06 O10 Si2 -","- Al1.94 Ca D4 Fe0.06 O10 Si2 -","- Al7.76 Ca4 D16 Fe0.24 O40 Si8 -","4","0.5","","Meyer, H. W.; Marion, S.; Sondergeld, P.; Carpenter, M. A.; Knight, K. S.; Redfern, S. A. T.; Dove, M. T.","Displacive components of the low-temperature phase transitions in lawsonite T = 268 K","American Mineralogist","2001","86","","566","577","","","","","","","","","","","","","","","","","","","","","","has coordinates","283960","2023-05-23","08:42:00","" "9002550","5.85424","","8.79471","","13.1365","","90","","90","","90","","676.35","","","","285","","","","","","","","","6","C m c m (a-1/4,b-1/4,c)","-C 2c 2 (x+1/4,y+1/4,z)","63","","","Lawsonite (deuterated)","- Al1.94 Ca D4 Fe0.06 O10 Si2 -","- Al1.94 Ca D4 Fe0.06 O10 Si2 -","- Al7.76 Ca4 D16 Fe0.24 O40 Si8 -","4","","","Meyer, H. W.; Marion, S.; Sondergeld, P.; Carpenter, M. A.; Knight, K. S.; Redfern, S. A. T.; Dove, M. T.","Displacive components of the low-temperature phase transitions in lawsonite T = 285 K","American Mineralogist","2001","86","","566","577","","","","","","","","","","","","","","","","","","","","","","has coordinates","287588","2023-11-14","18:05:45","" "9002551","5.8543","","8.79679","","13.1387","","90","","90","","90","","676.631","","","","300","","","","","","","","","6","C m c m (a-1/4,b-1/4,c)","-C 2c 2 (x+1/4,y+1/4,z)","63","","","Lawsonite (deuterated)","- Al1.94 Ca D4 Fe0.06 O10 Si2 -","- Al1.94 Ca D4 Fe0.06 O10 Si2 -","- Al7.76 Ca4 D16 Fe0.24 O40 Si8 -","4","","","Meyer, H. W.; Marion, S.; Sondergeld, P.; Carpenter, M. A.; Knight, K. S.; Redfern, S. A. T.; Dove, M. T.","Displacive components of the low-temperature phase transitions in lawsonite T = 300 K","American Mineralogist","2001","86","","566","577","","","","","","","","","","","","","","","","","","","","","","has coordinates","287588","2023-11-14","18:05:45","" "9002552","5.85603","","8.80228","","13.1442","","90","","90","","90","","677.536","","","","350","","","","","","","","","6","C m c m (a-1/4,b-1/4,c)","-C 2c 2 (x+1/4,y+1/4,z)","63","","","Lawsonite (deuterated)","- Al1.94 Ca D4 Fe0.06 O10 Si2 -","- Al1.94 Ca D4 Fe0.06 O10 Si2 -","- Al7.76 Ca4 D16 Fe0.24 O40 Si8 -","4","","","Meyer, H. W.; Marion, S.; Sondergeld, P.; Carpenter, M. A.; Knight, K. S.; Redfern, S. A. T.; Dove, M. T.","Displacive components of the low-temperature phase transitions in lawsonite T = 350 K","American Mineralogist","2001","86","","566","577","","","","","","","","","","","","","","","","","","","","","","has coordinates","287588","2023-11-14","18:05:45","" "9002553","5.85851","","8.80727","","13.149","","90","","90","","90","","678.455","","","","400","","","","","","","","","6","C m c m (a-1/4,b-1/4,c)","-C 2c 2 (x+1/4,y+1/4,z)","63","","","Lawsonite (deuterated)","- Al1.94 Ca D4 Fe0.06 O10 Si2 -","- Al1.94 Ca D4 Fe0.06 O10 Si2 -","- Al7.76 Ca4 D16 Fe0.24 O40 Si8 -","4","","","Meyer, H. W.; Marion, S.; Sondergeld, P.; Carpenter, M. A.; Knight, K. S.; Redfern, S. A. T.; Dove, M. T.","Displacive components of the low-temperature phase transitions in lawsonite T = 400 K","American Mineralogist","2001","86","","566","577","","","","","","","","","","","","","","","","","","","","","","has coordinates","287588","2023-11-14","18:05:45","" "9002554","6.6102","","6.6102","","5.986","","90","","90","","90","","261.557","","","","","","","","","","","","","3","I 41/a m d :2","-I 4bd 2","141","","","Zircon","- O4 Si Zr -","- O4 Si Zr -","- O16 Si4 Zr4 -","4","0.125","","Finch, R. J.; Hanchar, J. M.; Hoskin, P. W. O.; Burns, P. C.","Rare-earth elements in synthetic zircon: Part 2. A single-crystal X-ray study of xenotime substitution Sample: pure zircon #38","American Mineralogist","2001","86","","681","689","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:29","" "9002555","6.6139","","6.6139","","5.985","","90","","90","","90","","261.806","","","","","","","","","","","","","3","I 41/a m d :2","-I 4bd 2","141","","","Zircon","- O4 Si Zr -","- O4 Si Zr -","- O16 Si4 Zr4 -","4","0.125","","Finch, R. J.; Hanchar, J. M.; Hoskin, P. W. O.; Burns, P. C.","Rare-earth elements in synthetic zircon: Part 2. A single-crystal X-ray study of xenotime substitution Sample: Dy (15)","American Mineralogist","2001","86","","681","689","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:29","" "9002556","6.6175","","6.6175","","5.989","","90","","90","","90","","262.266","","","","","","","","","","","","","3","I 41/a m d :2","-I 4bd 2","141","","","Zircon","- O4 Si Zr -","- O4 Si Zr -","- O16 Si4 Zr4 -","4","0.125","","Finch, R. J.; Hanchar, J. M.; Hoskin, P. W. O.; Burns, P. C.","Rare-earth elements in synthetic zircon: Part 2. A single-crystal X-ray study of xenotime substitution Sample: Dy (12)","American Mineralogist","2001","86","","681","689","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:29","" "9002557","6.6119","","6.6119","","5.983","","90","","90","","90","","261.56","","","","","","","","","","","","","3","I 41/a m d :2","-I 4bd 2","141","","","Zircon","- O4 Si Zr -","- O4 Si Zr -","- O16 Si4 Zr4 -","4","0.125","","Finch, R. J.; Hanchar, J. M.; Hoskin, P. W. O.; Burns, P. C.","Rare-earth elements in synthetic zircon: Part 2. A single-crystal X-ray study of xenotime substitution Sample: Sm+P (28)","American Mineralogist","2001","86","","681","689","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:29","" "9002558","6.6213","","6.6213","","5.9879","","90","","90","","90","","262.519","","","","","","","","","","","","","3","I 41/a m d :2","-I 4bd 2","141","","","Zircon","- O4 Si Zr -","- O4 Si Zr -","- O16 Si4 Zr4 -","4","0.125","","Finch, R. J.; Hanchar, J. M.; Hoskin, P. W. O.; Burns, P. C.","Rare-earth elements in synthetic zircon: Part 2. A single-crystal X-ray study of xenotime substitution Sample: Gd+P (30)","American Mineralogist","2001","86","","681","689","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:29","" "9002559","6.626","","6.626","","5.986","","90","","90","","90","","262.809","","","","","","","","","","","","","3","I 41/a m d :2","-I 4bd 2","141","","","Zircon","- O4 Si Zr -","- O4 Si Zr -","- O16 Si4 Zr4 -","4","0.125","","Finch, R. J.; Hanchar, J. M.; Hoskin, P. W. O.; Burns, P. C.","Rare-earth elements in synthetic zircon: Part 2. A single-crystal X-ray study of xenotime substitution Sample: Dy+P (33)","American Mineralogist","2001","86","","681","689","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:29","" "9002560","6.6355","","6.6355","","5.989","","90","","90","","90","","263.695","","","","","","","","","","","","","3","I 41/a m d :2","-I 4bd 2","141","","","Zircon","- O4 Si Zr -","- O4 Si Zr -","- O16 Si4 Zr4 -","4","0.125","","Finch, R. J.; Hanchar, J. M.; Hoskin, P. W. O.; Burns, P. C.","Rare-earth elements in synthetic zircon: Part 2. A single-crystal X-ray study of xenotime substitution Sample: Er+P (36)","American Mineralogist","2001","86","","681","689","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:29","" "9002561","6.6265","","6.6265","","5.979","","90","","90","","90","","262.541","","","","","","","","","","","","","3","I 41/a m d :2","-I 4bd 2","141","","","Zircon","- O4 Si Zr -","- O4 Si Zr -","- O16 Si4 Zr4 -","4","0.125","","Finch, R. J.; Hanchar, J. M.; Hoskin, P. W. O.; Burns, P. C.","Rare-earth elements in synthetic zircon: Part 2. A single-crystal X-ray study of xenotime substitution Sample: Yb+P (40)","American Mineralogist","2001","86","","681","689","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:29","" "9002562","6.6329","","6.6329","","5.986","","90","","90","","90","","263.356","","","","","","","","","","","","","3","I 41/a m d :2","-I 4bd 2","141","","","Zircon","- O4 Si Zr -","- O4 Si Zr -","- O16 Si4 Zr4 -","4","0.125","","Finch, R. J.; Hanchar, J. M.; Hoskin, P. W. O.; Burns, P. C.","Rare-earth elements in synthetic zircon: Part 2. A single-crystal X-ray study of xenotime substitution Sample: Y+P (43)","American Mineralogist","2001","86","","681","689","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:29","" "9002563","8.379","","12.963","","14.245","","90","","115.46","","90","","1396.99","","","","293.15","","","","","","","","Synthetic","4","I 1 2/c 1","-I 2yc","15","","","Feldspar","- Al1.9 O8 Si2.1 Sr -","- Al1.9 O8 Si2.1 Sr -","- Al15.2 O64 Si16.8 Sr8 -","8","1","","Benna, P.; Bruno, E.","Single-crystal in situ high-temperature structural investigation on strontium feldspar Sample T = 20 deg C","American Mineralogist","2001","86","","690","696","","","","","","","","","","","","","","","","","","","","","","has coordinates","283960","2023-05-23","08:42:00","" "9002564","8.392","","12.967","","14.26","","90","","115.43","","90","","1401.41","","","","433.15","","","","","","","","Synthetic","4","I 1 2/c 1","-I 2yc","15","","","Feldspar","- Al1.9 O8 Si2.1 Sr -","- Al1.9 O8 Si2.1 Sr -","- Al15.2 O64 Si16.8 Sr8 -","8","1","","Benna, P.; Bruno, E.","Single-crystal in situ high-temperature structural investigation on strontium feldspar Sample T = 160 deg C","American Mineralogist","2001","86","","690","696","","","","","","","","","","","","","","","","","","","","","","has coordinates","283960","2023-05-23","08:42:00","" "9002565","8.399","","12.963","","14.266","","90","","115.39","","90","","1403.2","","","","603.15","","","","","","","","Synthetic","4","I 1 2/c 1","-I 2yc","15","","","Feldspar","- Al1.9 O8 Si2.1 Sr -","- Al1.9 O8 Si2.1 Sr -","- Al15.2 O64 Si16.8 Sr8 -","8","1","","Benna, P.; Bruno, E.","Single-crystal in situ high-temperature structural investigation on strontium feldspar Sample T = 330 deg C","American Mineralogist","2001","86","","690","696","","","","","","","","","","","","","","","","","","","","","","has coordinates","283960","2023-05-23","08:42:00","" "9002566","8.414","","12.97","","14.28","","90","","115.34","","90","","1408.43","","","","783.15","","","","","","","","Synthetic","4","I 1 2/c 1","-I 2yc","15","","","Feldspar","- Al1.9 O8 Si2.1 Sr -","- Al1.9 O8 Si2.1 Sr -","- Al15.2 O64 Si16.8 Sr8 -","8","1","","Benna, P.; Bruno, E.","Single-crystal in situ high-temperature structural investigation on strontium feldspar Sample T = 510 deg C","American Mineralogist","2001","86","","690","696","","","","","","","","","","","","","","","","","","","","","","has coordinates","283960","2023-05-23","08:42:00","" "9002567","8.428","","12.975","","14.291","","90","","115.34","","90","","1412.41","","","","943.15","","","","","","","","Synthetic","4","I 1 2/c 1","-I 2yc","15","","","Feldspar","- Al1.9 O8 Si2.1 Sr -","- Al1.9 O8 Si2.1 Sr -","- Al15.2 O64 Si16.8 Sr8 -","8","1","","Benna, P.; Bruno, E.","Single-crystal in situ high-temperature structural investigation on strontium feldspar Sample T = 670 deg C","American Mineralogist","2001","86","","690","696","","","","","","","","","","","","","","","","","","","","","","has coordinates","283960","2023-05-23","08:42:00","" "9002568","7.8","","7.8","","5","","90","","90","","90","","304.2","","","","","","","","","","","","","9","P -4 21 m","P -4 2ab","113","","","Hardystonite","- Al0.07 Ca1.86 Fe0.02 Mg0.03 Mn0.04 Na0.14 O7 Si2 Zn0.85 -","- Al0.07 Ca1.86 Fe0.02 Mg0.03 Mn0.04 Na0.14 O7 Si2 Zn0.85 -","- Al0.14 Ca3.72 Fe0.04 Mg0.06 Mn0.08 Na0.28 O14 Si4 Zn1.7 -","2","0.25","","Bindi, L.; Bonazzi, P.; Rothlisberger, F.","Hardystonite from Franklin Furnace: A natural modulated melilite","American Mineralogist","2001","86","","747","751","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:29","" "9002569","12.41595","","12.41595","","4.97019","","90","","90","","120","","663.535","","","","","","","","","","","","","6","P 63","P 6c","173","","","Cancrinite","- Al3 Cs H4.64 Li2.73 O16.64 Si3 -","- Al3 Cs H4.64 Li2.73 O16.64 Si3 -","- Al6 Cs2 H9.28 Li5.46 O33.28 Si6 -","2","0.333333","","Fechtelkord, M.; Posnatzki, B.; Buhl, J.-C.; Fyfe, C. A.; Groat, L. A.; Raudsepp, M.","Characterization of synthetic Cs-Li cancrinite grown in a butanediol-water system: An NMR spectroscopic and Rietveld refinement study","American Mineralogist","2001","86","","881","888","","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:51:36","" "9002570","25.048","","5.8459","","5.6805","","90","","94.013","","90","","829.745","","","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","Aravaipaite","- Al F9 O Pb3 -","- Al F9 O Pb3 -","- Al4 F36 O4 Pb12 -","4","1","","Kampf, A. R.","The crystal structure of aravaipaite","American Mineralogist","2001","86","","927","931","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:29","" "9002571","4.7344","","10.286","","13.713","","101.042","","90","","90","","655.433","","","","295","","","","","","","","","6","P 21/b 1 1","-P 2xab","14","","","Hydroxylclinohumite","- Fe0.91 H0.92 Mg7.63 O18 Si4 Ti0.454 -","- Fe0.91 H0.92 Mg7.63 O18 Si4 Ti0.454 -","- Fe1.82 H1.84 Mg15.26 O36 Si8 Ti0.908 -","2","0.5","","Friedrich, A.; Lager, G. A.; Kunz, M.; Chakoumakos, B. C.; Smyth, J. R.; Schultz, A. J.","Temperature-dependent single-crystal neutron diffraction study of natural chondrodite and clinohumite Sample from Val Malenco, Italy at T = 295 K","American Mineralogist","2001","86","","981","989","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:29","" "9002572","4.7282","","10.273","","13.702","","101.004","","90","","90","","653.308","","","","100","","","","","","","","","6","P 21/b 1 1","-P 2xab","14","","","Hydroxylclinohumite","- Fe0.91 H0.96 Mg7.65 O18 Si4 Ti0.454 -","- Fe0.91 H0.96 Mg7.65 O18 Si4 Ti0.454 -","- Fe1.82 H1.92 Mg15.3 O36 Si8 Ti0.908 -","2","0.5","","Friedrich, A.; Lager, G. A.; Kunz, M.; Chakoumakos, B. C.; Smyth, J. R.; Schultz, A. J.","Temperature-dependent single-crystal neutron diffraction study of natural chondrodite and clinohumite Sample: from Val Malenco, Italy at T = 100 K","American Mineralogist","2001","86","","981","989","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:29","" "9002573","4.7313","","10.274","","13.695","","101.029","","90","","90","","653.41","","","","20","","","","","","","","","6","P 21/b 1 1","-P 2xab","14","","","Hydroxylclinohumite","- Fe0.87 H0.94 Mg7.69 O18 Si4 Ti0.454 -","- Fe0.87 H0.94 Mg7.69 O18 Si4 Ti0.454 -","- Fe1.74 H1.88 Mg15.38 O36 Si8 Ti0.908 -","2","0.5","","Friedrich, A.; Lager, G. A.; Kunz, M.; Chakoumakos, B. C.; Smyth, J. R.; Schultz, A. J.","Temperature-dependent single-crystal neutron diffraction study of natural chondrodite and clinohumite Sample: from Val Malenco, Italy at T = 20 K","American Mineralogist","2001","86","","981","989","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:29","" "9002574","4.7404","","10.238","","13.651","","100.909","","90","","90","","650.541","","","","295","","","","","","","","","6","P 21/b 1 1","-P 2xab","14","","","Clinohumite","- F1.08 H0.8 Mg8.792 O16.88 Si4 Ti0.208 -","- F1.08 H0.8 Mg8.792 O16.88 Si4 Ti0.208 -","- F2.16 H1.6 Mg17.584 O33.76 Si8 Ti0.416 -","2","0.5","","Friedrich, A.; Lager, G. A.; Kunz, M.; Chakoumakos, B. C.; Smyth, J. R.; Schultz, A. J.","Temperature-dependent single-crystal neutron diffraction study of natural chondrodite and clinohumite Sample: from Kukh-i-Lal, Pamir, Tadjikistan at T = 295 K","American Mineralogist","2001","86","","981","989","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:29","" "9002575","4.7366","","10.226","","13.636","","100.904","","90","","90","","648.555","","","","100","","","","","","","","","6","P 21/b 1 1","-P 2xab","14","","","Clinohumite","- F0.98 H0.82 Mg8.772 O17.04 Si4 Ti0.228 -","- F0.98 H0.82 Mg8.772 O17.04 Si4 Ti0.228 -","- F1.96 H1.64 Mg17.544 O34.08 Si8 Ti0.456 -","2","0.5","","Friedrich, A.; Lager, G. A.; Kunz, M.; Chakoumakos, B. C.; Smyth, J. R.; Schultz, A. J.","Temperature-dependent single-crystal neutron diffraction study of natural chondrodite and clinohumite Sample: from Kukh-i-Lal, Pamir, Tadjikistan at T = 100 K","American Mineralogist","2001","86","","981","989","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:29","" "9002576","4.7362","","10.226","","13.635","","100.904","","90","","90","","648.453","","","","20","","","","","","","","","6","P 21/b 1 1","-P 2xab","14","","","Clinohumite","- F0.98 H0.84 Mg8.784 O17.04 Si4 Ti0.216 -","- F0.98 H0.84 Mg8.784 O17.04 Si4 Ti0.216 -","- F1.96 H1.68 Mg17.568 O34.08 Si8 Ti0.432 -","2","0.5","","Friedrich, A.; Lager, G. A.; Kunz, M.; Chakoumakos, B. C.; Smyth, J. R.; Schultz, A. J.","Temperature-dependent single-crystal neutron diffraction study of natural chondrodite and clinohumite Sample: from Kukh-i-Lal, Pamir, Tadjikistan at T = 20 K","American Mineralogist","2001","86","","981","989","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:29","" "9002577","4.7401","","10.2843","","7.8831","","109.097","","90","","90","","363.141","","","","295","","","","","","","","","6","P 21/b 1 1","-P 2xab","14","","","Chondrodite","- F1.14 Fe0.12 H0.86 Mg4.88 O8.86 Si2 -","- F1.14 Fe0.12 H0.86 Mg4.88 O8.86 Si2 -","- F2.28 Fe0.24 H1.72 Mg9.76 O17.72 Si4 -","2","0.5","","Friedrich, A.; Lager, G. A.; Kunz, M.; Chakoumakos, B. C.; Smyth, J. R.; Schultz, A. J.","Temperature-dependent single-crystal neutron diffraction study of natural chondrodite and clinohumite Sample from Tilley Foster Mine, Brewster, NY at T = 295 K","American Mineralogist","2001","86","","981","989","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:29","" "9002578","4.7345","","10.2674","","7.8716","","109.06","","90","","90","","361.669","","","","100","","","","","","","","","6","P 21/b 1 1","-P 2xab","14","","","Chondrodite","- F1.136 Fe0.11 H0.864 Mg4.89 O8.864 Si2 -","- F1.136 Fe0.11 H0.864 Mg4.89 O8.864 Si2 -","- F2.272 Fe0.22 H1.728 Mg9.78 O17.728 Si4 -","2","0.5","","Friedrich, A.; Lager, G. A.; Kunz, M.; Chakoumakos, B. C.; Smyth, J. R.; Schultz, A. J.","Temperature-dependent single-crystal neutron diffraction study of natural chondrodite and clinohumite Sample: from Tilley Foster Mine, Brewster, NY at T = 100 K","American Mineralogist","2001","86","","981","989","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:29","" "9002579","4.7321","","10.2641","","7.8673","","109.052","","90","","90","","361.189","","","","10","","","","","","","","","6","P 21/b 1 1","-P 2xab","14","","","Chondrodite","- F1.156 Fe0.11 H0.844 Mg4.89 O8.844 Si2 -","- F1.156 Fe0.11 H0.844 Mg4.89 O8.844 Si2 -","- F2.312 Fe0.22 H1.688 Mg9.78 O17.688 Si4 -","2","0.5","","Friedrich, A.; Lager, G. A.; Kunz, M.; Chakoumakos, B. C.; Smyth, J. R.; Schultz, A. J.","Temperature-dependent single-crystal neutron diffraction study of natural chondrodite and clinohumite Sample from Tilley Foster Mine, Brewster, NY at T = 10 K","American Mineralogist","2001","86","","981","989","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:29","" "9002580","9.547","","9.547","","6.991","","90","","90","","120","","551.828","","","","","","","","","","","","","15","P 63","P 6c","173","","","Fluorbritholite-(Ce)","- B0.09 Ca2.45 Ce1.05 F0.88 H0.12 La0.55 Nd0.3 O12.12 P0.12 Pr0.1 Si2.79 Sm0.05 Th0.35 U0.05 Y0.1 -","- B0.09 Ca2.45 Ce1.05 F0.88 H0.12 La0.55 Nd0.3 O12.12 P0.12 Pr0.1 Si2.79 Sm0.05 Th0.35 U0.05 Y0.1 -","- B0.18 Ca4.9 Ce2.1 F1.76 H0.24 La1.1 Nd0.6 O24.24 P0.24 Pr0.2 Si5.58 Sm0.1 Th0.7 U0.1 Y0.2 -","2","0.333333","","Oberti, R.; Ottolini, L.; Della Ventura, G.; Parodi, G. C.","On the symmetry and crystal chemistry of britholite: New structural and microanalytical data Sample: CAPR in volcanic ejectum from Capranica, Latium, Italy","American Mineralogist","2001","86","","1066","1075","","","","","","","","","","","","","","","","","","","","","","has coordinates","283868","2023-05-18","14:40:09","" "9002581","9.682","","9.682","","7.066","","90","","90","","120","","573.633","","","","","","","","","","","","","11","P 63","P 6c","173","","","Fluorbritholite-(Ce)","- Ca1.03 Ce1.67 F0.88 H0.12 La1.47 Na0.5 Nd0.23 O12.12 P0.39 Pr0.1 Si2.55 -","- Ca1.03 Ce1.67 F0.88 H0.12 La1.47 Na0.5 Nd0.23 O12.12 P0.39 Pr0.1 Si2.55 -","- Ca2.06 Ce3.34 F1.76 H0.24 La2.94 Na Nd0.46 O24.24 P0.78 Pr0.2 Si5.1 -","2","0.333333","","Oberti, R.; Ottolini, L.; Della Ventura, G.; Parodi, G. C.","On the symmetry and crystal chemistry of britholite: New structural and microanalytical data Sample: LOS from Rouma Island, Guinea","American Mineralogist","2001","86","","1066","1075","","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:51:36","" "9002582","3.9007","","3.9007","","7.8099","","90","","90","","90","","118.831","","","","","","","","","","","","","4","P 4/m m m","-P 4 2","123","","","","- K0.69 O3 Th0.31 Ti -","- K0.69 O3 Th0.31 Ti -","- K1.38 O6 Th0.62 Ti2 -","2","0.125","","Chakhmouradian, A. R.; Mitchell, R. H.","Crystal structure of novel high-pressure perovskite K2/3Th1/3TiO3, a possible host for Th in the upper mantle","American Mineralogist","2001","86","","1076","1080","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:29","" "9002583","8.183","","9.247","","8.651","","90","","109.74","","90","","616.138","","","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","Ronneburgite","- K2 Mn O12 V4 -","- K2 Mn O12 V4 -","- K4 Mn2 O24 V8 -","2","0.5","","Witzke, T.; Zhen, S.; Seff, K.; Doering, T.; Nasdala, L.; Kolitsch, U.","Ronneburgite, K2MnV4O12, a new mineral from Ronneburg, Thuringia, Germany: Description and crystal structure","American Mineralogist","2001","86","","1081","1086","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:29","" "9002584","12.418","","15.427","","5.6895","","90","","90","","90","","1089.95","","","","","","","","","","","","Lengenbach quarry, Binnatal, Switzerland","5","P m n b","-P 2bc 2a","62","","","Sicherite","- Ag2 As2.03 S6 Sb0.97 Tl -","- Ag2 As2.03 S6 Sb0.97 Tl -","- Ag8 As8.12 S24 Sb3.88 Tl4 -","4","0.5","","Graeser, S.; Berlepsch, P.; Makovicky, E.; Balic-Zunic T","Sicherite, TlAg2(As,Sb)3S6 - a new sulfosalt from Lengenbach (Binntal, Switzerland): Description and structure determination Locality: Legenbach quarry, Binnatal, Switzerland","American Mineralogist","2001","86","","1087","1093","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:29","" "9002585","4.7515","","10.199","","5.9696","","90","","90","","90","","289.29","","","","","","","","","","","","","4","P b n m","-P 2c 2ab","62","","","Olivine","- Mg1.7 Ni0.3 O4 Si -","- Mg1.7 Ni0.3 O4 Si -","- Mg6.8 Ni1.2 O16 Si4 -","4","0.5","","Henderson, C. M. B.; Redfern, S. A. T.; Smith, R. I.; Knight, K. S.; Charnock, J. M.","Composition and temperature dependence of cation ordering in Ni-Mg olivine solid solutions: a time-of-flight neutron powder diffraction and EXAFS study Sample: Mg85Ni15 at room temperature","American Mineralogist","2001","86","","1170","1187","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:29","" "9002586","4.7487","","10.201","","5.9678","","90","","90","","90","","289.089","","","","","","","","","","","","","4","P b n m","-P 2c 2ab","62","","","Olivine","- Mg1.6 Ni0.4 O4 Si -","- Mg1.6 Ni0.4 O4 Si -","- Mg6.4 Ni1.6 O16 Si4 -","4","0.5","","Henderson, C. M. B.; Redfern, S. A. T.; Smith, R. I.; Knight, K. S.; Charnock, J. M.","Composition and temperature dependence of cation ordering in Ni-Mg olivine solid solutions: A time-of-flight neutron powder diffraction and EXAFS study Sample: Mg80Ni20 at room temperature","American Mineralogist","2001","86","","1170","1187","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:29","" "9002587","4.7473","","10.196","","5.9597","","90","","90","","90","","288.47","","","","","","","","","","","","","4","P b n m","-P 2c 2ab","62","","","Olivine","- Mg1.5 Ni0.5 O4 Si -","- Mg1.5 Ni0.5 O4 Si -","- Mg6 Ni2 O16 Si4 -","4","0.5","","Henderson, C. M. B.; Redfern, S. A. T.; Smith, R. I.; Knight, K. S.; Charnock, J. M.","Composition and temperature dependence of cation ordering in Ni-Mg olivine solid solutions: A time-of-flight neutron powder diffraction and EXAFS study Sample: Mg75Ni25 at room temperature","American Mineralogist","2001","86","","1170","1187","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:29","" "9002588","4.746","","10.194","","5.9568","","90","","90","","90","","288.194","","","","","","","","","","","","","4","P b n m","-P 2c 2ab","62","","","Olivine","- Mg1.4 Ni0.6 O4 Si -","- Mg1.4 Ni0.6 O4 Si -","- Mg5.6 Ni2.4 O16 Si4 -","4","0.5","","Henderson, C. M. B.; Redfern, S. A. T.; Smith, R. I.; Knight, K. S.; Charnock, J. M.","Composition and temperature dependence of cation ordering in Ni-Mg olivine solid solutions: A time-of-flight neutron powder diffraction and EXAFS study Sample: Mg70Ni30 at room temperature","American Mineralogist","2001","86","","1170","1187","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:29","" "9002589","4.7396","","10.187","","5.9467","","90","","90","","90","","287.12","","","","","","","","","","","","","4","P b n m","-P 2c 2ab","62","","","Olivine","- Mg Ni O4 Si -","- Mg Ni O4 Si -","- Mg4 Ni4 O16 Si4 -","4","0.5","","Henderson, C. M. B.; Redfern, S. A. T.; Smith, R. I.; Knight, K. S.; Charnock, J. M.","Composition and temperature dependence of cation ordering in Ni-Mg olivine solid solutions: A time-of-flight neutron powder diffraction and EXAFS study Sample: Mg50Ni50 at room temperature","American Mineralogist","2001","86","","1170","1187","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:29","" "9002590","4.731","","10.144","","5.9267","","90","","90","","90","","284.43","","","","","","","","","","","","","4","P b n m","-P 2c 2ab","62","","","Olivine","- Mg0.4 Ni1.6 O4 Si -","- Mg0.4 Ni1.6 O4 Si -","- Mg1.6 Ni6.4 O16 Si4 -","4","0.5","","Henderson, C. M. B.; Redfern, S. A. T.; Smith, R. I.; Knight, K. S.; Charnock, J. M.","Composition and temperature dependence of cation ordering in Ni-Mg olivine solid solutions: A time-of-flight neutron powder diffraction and EXAFS study Sample: Mg20Ni80 at room temperature","American Mineralogist","2001","86","","1170","1187","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:29","" "9002591","4.74016","","10.1874","","5.94729","","90","","90","","90","","287.194","","","","298.15","","","","","","","","","4","P b n m","-P 2c 2ab","62","","","Olivine","- Mg Ni O4 Si -","- Mg Ni O4 Si -","- Mg4 Ni4 O16 Si4 -","4","0.5","","Henderson, C. M. B.; Redfern, S. A. T.; Smith, R. I.; Knight, K. S.; Charnock, J. M.","Composition and temperature dependence of cation ordering in Ni-Mg olivine solid solutions: A time-of-flight neutron powder diffraction and EXAFS study Sample: Mg50Ni50 at T = 25 C","American Mineralogist","2001","86","","1170","1187","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:29","" "9002592","4.748","","10.2114","","5.96047","","90","","90","","90","","288.986","","","","473.15","","","","","","","","","4","P b n m","-P 2c 2ab","62","","","Olivine","- Mg Ni O4 Si -","- Mg Ni O4 Si -","- Mg4 Ni4 O16 Si4 -","4","0.5","","Henderson, C. M. B.; Redfern, S. A. T.; Smith, R. I.; Knight, K. S.; Charnock, J. M.","Composition and temperature dependence of cation ordering in Ni-Mg olivine solid solutions: A time-of-flight neutron powder diffraction and EXAFS study Sample: Mg50Ni50 at T = 200 C","American Mineralogist","2001","86","","1170","1187","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:29","" "9002593","4.75177","","10.2259","","5.96665","","90","","90","","90","","289.926","","","","573.15","","","","","","","","","4","P b n m","-P 2c 2ab","62","","","Olivine","- Mg Ni O4 Si -","- Mg Ni O4 Si -","- Mg4 Ni4 O16 Si4 -","4","0.5","","Henderson, C. M. B.; Redfern, S. A. T.; Smith, R. I.; Knight, K. S.; Charnock, J. M.","Composition and temperature dependence of cation ordering in Ni-Mg olivine solid solutions: A time-of-flight neutron powder diffraction and EXAFS study Sample: Mg50Ni50 at T = 300 C","American Mineralogist","2001","86","","1170","1187","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:29","" "9002594","4.75574","","10.2344","","5.97318","","90","","90","","90","","290.727","","","","673.15","","","","","","","","","4","P b n m","-P 2c 2ab","62","","","Olivine","- Mg Ni O4 Si -","- Mg Ni O4 Si -","- Mg4 Ni4 O16 Si4 -","4","0.5","","Henderson, C. M. B.; Redfern, S. A. T.; Smith, R. I.; Knight, K. S.; Charnock, J. M.","Composition and temperature dependence of cation ordering in Ni-Mg olivine solid solutions: A time-of-flight neutron powder diffraction and EXAFS study Sample: Mg50Ni50 at T = 400 C","American Mineralogist","2001","86","","1170","1187","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:29","" "9002595","4.75871","","10.2407","","5.97656","","90","","90","","90","","291.253","","","","723.15","","","","","","","","","4","P b n m","-P 2c 2ab","62","","","Olivine","- Mg Ni O4 Si -","- Mg Ni O4 Si -","- Mg4 Ni4 O16 Si4 -","4","0.5","","Henderson, C. M. B.; Redfern, S. A. T.; Smith, R. I.; Knight, K. S.; Charnock, J. M.","Composition and temperature dependence of cation ordering in Ni-Mg olivine solid solutions: A time-of-flight neutron powder diffraction and EXAFS study Sample: Mg50Ni50 at T = 450 C","American Mineralogist","2001","86","","1170","1187","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:29","" "9002596","4.75984","","10.2469","","5.97999","","90","","90","","90","","291.666","","","","773.15","","","","","","","","","4","P b n m","-P 2c 2ab","62","","","Olivine","- Mg Ni O4 Si -","- Mg Ni O4 Si -","- Mg4 Ni4 O16 Si4 -","4","0.5","","Henderson, C. M. B.; Redfern, S. A. T.; Smith, R. I.; Knight, K. S.; Charnock, J. M.","Composition and temperature dependence of cation ordering in Ni-Mg olivine solid solutions: A time-of-flight neutron powder diffraction and EXAFS study Sample: Mg50Ni50 at T = 500 C","American Mineralogist","2001","86","","1170","1187","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:29","" "9002597","4.76202","","10.2534","","5.98349","","90","","90","","90","","292.155","","","","823.15","","","","","","","","","4","P b n m","-P 2c 2ab","62","","","Olivine","- Mg Ni O4 Si -","- Mg Ni O4 Si -","- Mg4 Ni4 O16 Si4 -","4","0.5","","Henderson, C. M. B.; Redfern, S. A. T.; Smith, R. I.; Knight, K. S.; Charnock, J. M.","Composition and temperature dependence of cation ordering in Ni-Mg olivine solid solutions: A time-of-flight neutron powder diffraction and EXAFS study Sample: Mg50Ni50 at T = 550 C","American Mineralogist","2001","86","","1170","1187","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:29","" "9002598","4.76419","","10.2603","","5.9871","","90","","90","","90","","292.662","","","","873.15","","","","","","","","","4","P b n m","-P 2c 2ab","62","","","Olivine","- Mg Ni O4 Si -","- Mg Ni O4 Si -","- Mg4 Ni4 O16 Si4 -","4","0.5","","Henderson, C. M. B.; Redfern, S. A. T.; Smith, R. I.; Knight, K. S.; Charnock, J. M.","Composition and temperature dependence of cation ordering in Ni-Mg olivine solid solutions: A time-of-flight neutron powder diffraction and EXAFS study Sample: Mg50Ni50 at T = 600 C","American Mineralogist","2001","86","","1170","1187","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:29","" "9002599","4.76626","","10.2672","","5.99066","","90","","90","","90","","293.16","","","","923.15","","","","","","","","","4","P b n m","-P 2c 2ab","62","","","Olivine","- Mg Ni O4 Si -","- Mg Ni O4 Si -","- Mg4 Ni4 O16 Si4 -","4","0.5","","Henderson, C. M. B.; Redfern, S. A. T.; Smith, R. I.; Knight, K. S.; Charnock, J. M.","Composition and temperature dependence of cation ordering in Ni-Mg olivine solid solutions: A time-of-flight neutron powder diffraction and EXAFS study Sample: Mg50Ni50 at T = 650 C","American Mineralogist","2001","86","","1170","1187","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:29","" "9002600","4.76809","","10.2754","","5.99411","","90","","90","","90","","293.676","","","","973.15","","","","","","","","","4","P b n m","-P 2c 2ab","62","","","Olivine","- Mg Ni O4 Si -","- Mg Ni O4 Si -","- Mg4 Ni4 O16 Si4 -","4","0.5","","Henderson, C. M. B.; Redfern, S. A. T.; Smith, R. I.; Knight, K. S.; Charnock, J. M.","Composition and temperature dependence of cation ordering in Ni-Mg olivine solid solutions: A time-of-flight neutron powder diffraction and EXAFS study Sample: Mg50Ni50 at T = 700 C","American Mineralogist","2001","86","","1170","1187","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:29","" "9002601","4.77029","","10.2835","","5.99796","","90","","90","","90","","294.232","","","","1023.15","","","","","","","","","4","P b n m","-P 2c 2ab","62","","","Olivine","- Mg Ni O4 Si -","- Mg Ni O4 Si -","- Mg4 Ni4 O16 Si4 -","4","0.5","","Henderson, C. M. B.; Redfern, S. A. T.; Smith, R. I.; Knight, K. S.; Charnock, J. M.","Composition and temperature dependence of cation ordering in Ni-Mg olivine solid solutions: A time-of-flight neutron powder diffraction and EXAFS study Sample: Mg50Ni50 at T = 750 C","American Mineralogist","2001","86","","1170","1187","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:29","" "9002602","4.77267","","10.2901","","6.00184","","90","","90","","90","","294.758","","","","1073.15","","","","","","","","","4","P b n m","-P 2c 2ab","62","","","Olivine","- Mg Ni O4 Si -","- Mg Ni O4 Si -","- Mg4 Ni4 O16 Si4 -","4","0.5","","Henderson, C. M. B.; Redfern, S. A. T.; Smith, R. I.; Knight, K. S.; Charnock, J. M.","Composition and temperature dependence of cation ordering in Ni-Mg olivine solid solutions: A time-of-flight neutron powder diffraction and EXAFS study Sample: Mg50Ni50 at T = 800 C","American Mineralogist","2001","86","","1170","1187","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:29","" "9002603","4.77504","","10.296","","6.00539","","90","","90","","90","","295.248","","","","1123.15","","","","","","","","","4","P b n m","-P 2c 2ab","62","","","Olivine","- Mg Ni O4 Si -","- Mg Ni O4 Si -","- Mg4 Ni4 O16 Si4 -","4","0.5","","Henderson, C. M. B.; Redfern, S. A. T.; Smith, R. I.; Knight, K. S.; Charnock, J. M.","Composition and temperature dependence of cation ordering in Ni-Mg olivine solid solutions: A time-of-flight neutron powder diffraction and EXAFS study Sample: Mg50Ni50 at T = 850 C","American Mineralogist","2001","86","","1170","1187","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:29","" "9002604","4.77773","","10.3026","","6.0095","","90","","90","","90","","295.806","","","","1173.15","","","","","","","","","4","P b n m","-P 2c 2ab","62","","","Olivine","- Mg Ni O4 Si -","- Mg Ni O4 Si -","- Mg4 Ni4 O16 Si4 -","4","0.5","","Henderson, C. M. B.; Redfern, S. A. T.; Smith, R. I.; Knight, K. S.; Charnock, J. M.","Composition and temperature dependence of cation ordering in Ni-Mg olivine solid solutions: A time-of-flight neutron powder diffraction and EXAFS study Sample: Mg50Ni50 at T = 900 C","American Mineralogist","2001","86","","1170","1187","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:29","" "9002605","4.78014","","10.3088","","6.01327","","90","","90","","90","","296.319","","","","1223.15","","","","","","","","","4","P b n m","-P 2c 2ab","62","","","Olivine","- Mg Ni O4 Si -","- Mg Ni O4 Si -","- Mg4 Ni4 O16 Si4 -","4","0.5","","Henderson, C. M. B.; Redfern, S. A. T.; Smith, R. I.; Knight, K. S.; Charnock, J. M.","Composition and temperature dependence of cation ordering in Ni-Mg olivine solid solutions: A time-of-flight neutron powder diffraction and EXAFS study Sample: Mg50Ni50 at T = 950 C","American Mineralogist","2001","86","","1170","1187","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:29","" "9002606","4.78269","","10.3155","","6.01747","","90","","90","","90","","296.877","","","","1273.15","","","","","","","","","4","P b n m","-P 2c 2ab","62","","","Olivine","- Mg Ni O4 Si -","- Mg Ni O4 Si -","- Mg4 Ni4 O16 Si4 -","4","0.5","","Henderson, C. M. B.; Redfern, S. A. T.; Smith, R. I.; Knight, K. S.; Charnock, J. M.","Composition and temperature dependence of cation ordering in Ni-Mg olivine solid solutions: A time-of-flight neutron powder diffraction and EXAFS study Sample: Mg50Ni50 at T = 1000 C","American Mineralogist","2001","86","","1170","1187","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:29","" "9002607","4.78522","","10.3224","","6.02158","","90","","90","","90","","297.436","","","","1323.15","","","","","","","","","4","P b n m","-P 2c 2ab","62","","","Olivine","- Mg Ni O4 Si -","- Mg Ni O4 Si -","- Mg4 Ni4 O16 Si4 -","4","0.5","","Henderson, C. M. B.; Redfern, S. A. T.; Smith, R. I.; Knight, K. S.; Charnock, J. M.","Composition and temperature dependence of cation ordering in Ni-Mg olivine solid solutions: A time-of-flight neutron powder diffraction and EXAFS study Sample: Mg50Ni50 at T = 1050 C","American Mineralogist","2001","86","","1170","1187","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:29","" "9002608","4.78795","","10.3296","","6.02598","","90","","90","","90","","298.031","","","","1373.15","","","","","","","","","4","P b n m","-P 2c 2ab","62","","","Olivine","- Mg Ni O4 Si -","- Mg Ni O4 Si -","- Mg4 Ni4 O16 Si4 -","4","0.5","","Henderson, C. M. B.; Redfern, S. A. T.; Smith, R. I.; Knight, K. S.; Charnock, J. M.","Composition and temperature dependence of cation ordering in Ni-Mg olivine solid solutions: A time-of-flight neutron powder diffraction and EXAFS study Sample: Mg50Ni50 at T = 1100 C","American Mineralogist","2001","86","","1170","1187","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:29","" "9002609","4.77555","","10.2926","","6.00582","","90","","90","","90","","295.203","","","","1123.15","","","","","","","","","4","P b n m","-P 2c 2ab","62","","","Olivine","- Mg Ni O4 Si -","- Mg Ni O4 Si -","- Mg4 Ni4 O16 Si4 -","4","0.5","","Henderson, C. M. B.; Redfern, S. A. T.; Smith, R. I.; Knight, K. S.; Charnock, J. M.","Composition and temperature dependence of cation ordering in Ni-Mg olivine solid solutions: A time-of-flight neutron powder diffraction and EXAFS study Sample: Mg50Ni50 at T = 850 C, on cooling","American Mineralogist","2001","86","","1170","1187","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:29","" "9002610","4.77091","","10.2828","","5.99795","","90","","90","","90","","294.249","","","","1023.15","","","","","","","","","4","P b n m","-P 2c 2ab","62","","","Olivine","- Mg Ni O4 Si -","- Mg Ni O4 Si -","- Mg4 Ni4 O16 Si4 -","4","0.5","","Henderson, C. M. B.; Redfern, S. A. T.; Smith, R. I.; Knight, K. S.; Charnock, J. M.","Composition and temperature dependence of cation ordering in Ni-Mg olivine solid solutions: A time-of-flight neutron powder diffraction and EXAFS study Sample: Mg50Ni50 at T = 750 C, on cooling","American Mineralogist","2001","86","","1170","1187","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:29","" "9002611","4.76655","","10.2694","","5.99104","","90","","90","","90","","293.259","","","","923.15","","","","","","","","","4","P b n m","-P 2c 2ab","62","","","Olivine","- Mg Ni O4 Si -","- Mg Ni O4 Si -","- Mg4 Ni4 O16 Si4 -","4","0.5","","Henderson, C. M. B.; Redfern, S. A. T.; Smith, R. I.; Knight, K. S.; Charnock, J. M.","Composition and temperature dependence of cation ordering in Ni-Mg olivine solid solutions: A time-of-flight neutron powder diffraction and EXAFS study Sample: Mg50Ni50 at T = 650 C, on cooling","American Mineralogist","2001","86","","1170","1187","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:29","" "9002612","4.76218","","10.2564","","5.98397","","90","","90","","90","","292.274","","","","823.15","","","","","","","","","4","P b n m","-P 2c 2ab","62","","","Olivine","- Mg Ni O4 Si -","- Mg Ni O4 Si -","- Mg4 Ni4 O16 Si4 -","4","0.5","","Henderson, C. M. B.; Redfern, S. A. T.; Smith, R. I.; Knight, K. S.; Charnock, J. M.","Composition and temperature dependence of cation ordering in Ni-Mg olivine solid solutions: A time-of-flight neutron powder diffraction and EXAFS study Sample: Mg50Ni50 at T = 550 C, on cooling","American Mineralogist","2001","86","","1170","1187","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:29","" "9002613","4.75397","","10.2317","","5.97049","","90","","90","","90","","290.412","","","","623.15","","","","","","","","","4","P b n m","-P 2c 2ab","62","","","Olivine","- Mg Ni O4 Si -","- Mg Ni O4 Si -","- Mg4 Ni4 O16 Si4 -","4","0.5","","Henderson, C. M. B.; Redfern, S. A. T.; Smith, R. I.; Knight, K. S.; Charnock, J. M.","Composition and temperature dependence of cation ordering in Ni-Mg olivine solid solutions: A time-of-flight neutron powder diffraction and EXAFS study Sample: Mg50Ni50 at T = 350 C, on cooling","American Mineralogist","2001","86","","1170","1187","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:29","" "9002614","4.73717","","10.187","","5.9466","","90","","90","","90","","286.968","","","","298.15","","","","","","","","","4","P b n m","-P 2c 2ab","62","","","Olivine","- Mg Ni O4 Si -","- Mg Ni O4 Si -","- Mg4 Ni4 O16 Si4 -","4","0.5","","Henderson, C. M. B.; Redfern, S. A. T.; Smith, R. I.; Knight, K. S.; Charnock, J. M.","Composition and temperature dependence of cation ordering in Ni-Mg olivine solid solutions: A time-of-flight neutron powder diffraction and EXAFS study Sample: Mg50Ni50 at T = 25 C, on cooling","American Mineralogist","2001","86","","1170","1187","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:29","" "9002615","4.74955","","10.2019","","5.96718","","90","","90","","90","","289.136","","","","298.15","","","","","","","","","4","P b n m","-P 2c 2ab","62","","","Olivine","- Mg1.6 Ni0.4 O4 Si -","- Mg1.6 Ni0.4 O4 Si -","- Mg6.4 Ni1.6 O16 Si4 -","4","0.5","","Henderson, C. M. B.; Redfern, S. A. T.; Smith, R. I.; Knight, K. S.; Charnock, J. M.","Composition and temperature dependence of cation ordering in Ni-Mg olivine solid solutions: A time-of-flight neutron powder diffraction and EXAFS study Sample: Mg80Ni20 at T = 25 C","American Mineralogist","2001","86","","1170","1187","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:29","" "9002616","4.75769","","10.2279","","5.98117","","90","","90","","90","","291.051","","","","473.15","","","","","","","","","4","P b n m","-P 2c 2ab","62","","","Olivine","- Mg1.6 Ni0.4 O4 Si -","- Mg1.6 Ni0.4 O4 Si -","- Mg6.4 Ni1.6 O16 Si4 -","4","0.5","","Henderson, C. M. B.; Redfern, S. A. T.; Smith, R. I.; Knight, K. S.; Charnock, J. M.","Composition and temperature dependence of cation ordering in Ni-Mg olivine solid solutions: A time-of-flight neutron powder diffraction and EXAFS study Sample: Mg80Ni20 at T = 200 C","American Mineralogist","2001","86","","1170","1187","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:29","" "9002617","4.76127","","10.2391","","5.9872","","90","","90","","90","","291.883","","","","573.15","","","","","","","","","4","P b n m","-P 2c 2ab","62","","","Olivine","- Mg1.6 Ni0.4 O4 Si -","- Mg1.6 Ni0.4 O4 Si -","- Mg6.4 Ni1.6 O16 Si4 -","4","0.5","","Henderson, C. M. B.; Redfern, S. A. T.; Smith, R. I.; Knight, K. S.; Charnock, J. M.","Composition and temperature dependence of cation ordering in Ni-Mg olivine solid solutions: A time-of-flight neutron powder diffraction and EXAFS study Sample: Mg80Ni20 at T = 300 C","American Mineralogist","2001","86","","1170","1187","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:29","" "9002618","4.76517","","10.2566","","5.99363","","90","","90","","90","","292.935","","","","673.15","","","","","","","","","4","P b n m","-P 2c 2ab","62","","","Olivine","- Mg1.6 Ni0.4 O4 Si -","- Mg1.6 Ni0.4 O4 Si -","- Mg6.4 Ni1.6 O16 Si4 -","4","0.5","","Henderson, C. M. B.; Redfern, S. A. T.; Smith, R. I.; Knight, K. S.; Charnock, J. M.","Composition and temperature dependence of cation ordering in Ni-Mg olivine solid solutions: A time-of-flight neutron powder diffraction and EXAFS study Sample: Mg80Ni20 at T = 400 C","American Mineralogist","2001","86","","1170","1187","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:29","" "9002619","4.7671","","10.2573","","5.99691","","90","","90","","90","","293.234","","","","723.15","","","","","","","","","4","P b n m","-P 2c 2ab","62","","","Olivine","- Mg1.6 Ni0.4 O4 Si -","- Mg1.6 Ni0.4 O4 Si -","- Mg6.4 Ni1.6 O16 Si4 -","4","0.5","","Henderson, C. M. B.; Redfern, S. A. T.; Smith, R. I.; Knight, K. S.; Charnock, J. M.","Composition and temperature dependence of cation ordering in Ni-Mg olivine solid solutions: A time-of-flight neutron powder diffraction and EXAFS study Sample: Mg80Ni20 at T = 450 C","American Mineralogist","2001","86","","1170","1187","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:29","" "9002620","4.76919","","10.2639","","6.00034","","90","","90","","90","","293.72","","","","773.15","","","","","","","","","4","P b n m","-P 2c 2ab","62","","","Olivine","- Mg1.6 Ni0.4 O4 Si -","- Mg1.6 Ni0.4 O4 Si -","- Mg6.4 Ni1.6 O16 Si4 -","4","0.5","","Henderson, C. M. B.; Redfern, S. A. T.; Smith, R. I.; Knight, K. S.; Charnock, J. M.","Composition and temperature dependence of cation ordering in Ni-Mg olivine solid solutions: A time-of-flight neutron powder diffraction and EXAFS study Sample: Mg80Ni20 at T = 500 C","American Mineralogist","2001","86","","1170","1187","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:29","" "9002621","4.77133","","10.2707","","6.0039","","90","","90","","90","","294.221","","","","823.15","","","","","","","","","4","P b n m","-P 2c 2ab","62","","","Olivine","- Mg1.6 Ni0.4 O4 Si -","- Mg1.6 Ni0.4 O4 Si -","- Mg6.4 Ni1.6 O16 Si4 -","4","0.5","","Henderson, C. M. B.; Redfern, S. A. T.; Smith, R. I.; Knight, K. S.; Charnock, J. M.","Composition and temperature dependence of cation ordering in Ni-Mg olivine solid solutions: A time-of-flight neutron powder diffraction and EXAFS study Sample: Mg80Ni20 at T = 550 C","American Mineralogist","2001","86","","1170","1187","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:29","" "9002622","4.77346","","10.2781","","6.00745","","90","","90","","90","","294.738","","","","873.15","","","","","","","","","4","P b n m","-P 2c 2ab","62","","","Olivine","- Mg1.6 Ni0.4 O4 Si -","- Mg1.6 Ni0.4 O4 Si -","- Mg6.4 Ni1.6 O16 Si4 -","4","0.5","","Henderson, C. M. B.; Redfern, S. A. T.; Smith, R. I.; Knight, K. S.; Charnock, J. M.","Composition and temperature dependence of cation ordering in Ni-Mg olivine solid solutions: A time-of-flight neutron powder diffraction and EXAFS study Sample: Mg80Ni20 at T = 600 C","American Mineralogist","2001","86","","1170","1187","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:29","" "9002623","4.77567","","10.2856","","6.01107","","90","","90","","90","","295.268","","","","923.15","","","","","","","","","4","P b n m","-P 2c 2ab","62","","","Olivine","- Mg1.6 Ni0.4 O4 Si -","- Mg1.6 Ni0.4 O4 Si -","- Mg6.4 Ni1.6 O16 Si4 -","4","0.5","","Henderson, C. M. B.; Redfern, S. A. T.; Smith, R. I.; Knight, K. S.; Charnock, J. M.","Composition and temperature dependence of cation ordering in Ni-Mg olivine solid solutions: A time-of-flight neutron powder diffraction and EXAFS study Sample: Mg80Ni20 at T = 650 C","American Mineralogist","2001","86","","1170","1187","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:29","" "9002624","4.77799","","10.2928","","6.01488","","90","","90","","90","","295.805","","","","973.15","","","","","","","","","4","P b n m","-P 2c 2ab","62","","","Olivine","- Mg1.6 Ni0.4 O4 Si -","- Mg1.6 Ni0.4 O4 Si -","- Mg6.4 Ni1.6 O16 Si4 -","4","0.5","","Henderson, C. M. B.; Redfern, S. A. T.; Smith, R. I.; Knight, K. S.; Charnock, J. M.","Composition and temperature dependence of cation ordering in Ni-Mg olivine solid solutions: A time-of-flight neutron powder diffraction and EXAFS study Sample: Mg80Ni20 at T = 700 C","American Mineralogist","2001","86","","1170","1187","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:29","" "9002625","4.78036","","10.2998","","6.01881","","90","","90","","90","","296.347","","","","1023.15","","","","","","","","","4","P b n m","-P 2c 2ab","62","","","Olivine","- Mg1.6 Ni0.4 O4 Si -","- Mg1.6 Ni0.4 O4 Si -","- Mg6.4 Ni1.6 O16 Si4 -","4","0.5","","Henderson, C. M. B.; Redfern, S. A. T.; Smith, R. I.; Knight, K. S.; Charnock, J. M.","Composition and temperature dependence of cation ordering in Ni-Mg olivine solid solutions: A time-of-flight neutron powder diffraction and EXAFS study Sample: Mg80Ni20 at T = 750 C","American Mineralogist","2001","86","","1170","1187","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:29","" "9002626","4.78256","","10.3064","","6.02259","","90","","90","","90","","296.859","","","","1073.15","","","","","","","","","4","P b n m","-P 2c 2ab","62","","","Olivine","- Mg1.6 Ni0.4 O4 Si -","- Mg1.6 Ni0.4 O4 Si -","- Mg6.4 Ni1.6 O16 Si4 -","4","0.5","","Henderson, C. M. B.; Redfern, S. A. T.; Smith, R. I.; Knight, K. S.; Charnock, J. M.","Composition and temperature dependence of cation ordering in Ni-Mg olivine solid solutions: A time-of-flight neutron powder diffraction and EXAFS study Sample: Mg80Ni20 at T = 800 C","American Mineralogist","2001","86","","1170","1187","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:29","" "9002627","4.78467","","10.3127","","6.0262","","90","","90","","90","","297.35","","","","1123.15","","","","","","","","","4","P b n m","-P 2c 2ab","62","","","Olivine","- Mg1.6 Ni0.4 O4 Si -","- Mg1.6 Ni0.4 O4 Si -","- Mg6.4 Ni1.6 O16 Si4 -","4","0.5","","Henderson, C. M. B.; Redfern, S. A. T.; Smith, R. I.; Knight, K. S.; Charnock, J. M.","Composition and temperature dependence of cation ordering in Ni-Mg olivine solid solutions: A time-of-flight neutron powder diffraction and EXAFS study Sample: Mg80Ni20 at T = 850 C","American Mineralogist","2001","86","","1170","1187","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:29","" "9002628","4.78701","","10.3194","","6.03014","","90","","90","","90","","297.883","","","","1173.15","","","","","","","","","4","P b n m","-P 2c 2ab","62","","","Olivine","- Mg1.6 Ni0.403 O4 Si -","- Mg1.6 Ni0.403 O4 Si -","- Mg6.4 Ni1.612 O16 Si4 -","4","0.5","","Henderson, C. M. B.; Redfern, S. A. T.; Smith, R. I.; Knight, K. S.; Charnock, J. M.","Composition and temperature dependence of cation ordering in Ni-Mg olivine solid solutions: A time-of-flight neutron powder diffraction and EXAFS study Sample: Mg80Ni20 at T = 900 C","American Mineralogist","2001","86","","1170","1187","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:29","" "9002629","4.7891","","10.3259","","6.03362","","90","","90","","90","","298.373","","","","1223.15","","","","","","","","","4","P b n m","-P 2c 2ab","62","","","Olivine","- Mg1.6 Ni0.4 O4 Si -","- Mg1.6 Ni0.4 O4 Si -","- Mg6.4 Ni1.6 O16 Si4 -","4","0.5","","Henderson, C. M. B.; Redfern, S. A. T.; Smith, R. I.; Knight, K. S.; Charnock, J. M.","Composition and temperature dependence of cation ordering in Ni-Mg olivine solid solutions: A time-of-flight neutron powder diffraction and EXAFS study Sample: Mg80Ni20 at T = 950 C","American Mineralogist","2001","86","","1170","1187","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:29","" "9002630","4.79136","","10.3323","","6.03741","","90","","90","","90","","298.887","","","","1273.15","","","","","","","","","4","P b n m","-P 2c 2ab","62","","","Olivine","- Mg1.6 Ni0.4 O4 Si -","- Mg1.6 Ni0.4 O4 Si -","- Mg6.4 Ni1.6 O16 Si4 -","4","0.5","","Henderson, C. M. B.; Redfern, S. A. T.; Smith, R. I.; Knight, K. S.; Charnock, J. M.","Composition and temperature dependence of cation ordering in Ni-Mg olivine solid solutions: A time-of-flight neutron powder diffraction and EXAFS study Sample: Mg80Ni20 at T = 1000 C","American Mineralogist","2001","86","","1170","1187","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:29","" "9002631","4.79608","","10.3467","","6.04574","","90","","90","","90","","300.011","","","","1373.15","","","","","","","","","4","P b n m","-P 2c 2ab","62","","","Olivine","- Mg1.6 Ni0.4 O4 Si -","- Mg1.6 Ni0.4 O4 Si -","- Mg6.4 Ni1.6 O16 Si4 -","4","0.5","","Henderson, C. M. B.; Redfern, S. A. T.; Smith, R. I.; Knight, K. S.; Charnock, J. M.","Composition and temperature dependence of cation ordering in Ni-Mg olivine solid solutions: A time-of-flight neutron powder diffraction and EXAFS study Sample: Mg80Ni20 at T = 1100 C","American Mineralogist","2001","86","","1170","1187","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:29","" "9002632","4.75898","","10.234","","5.98423","","90","","90","","90","","291.452","","","","573.15","","","","","","","","","4","P b n m","-P 2c 2ab","62","","","Olivine","- Mg1.6 Ni0.4 O4 Si -","- Mg1.6 Ni0.4 O4 Si -","- Mg6.4 Ni1.6 O16 Si4 -","4","0.5","","Henderson, C. M. B.; Redfern, S. A. T.; Smith, R. I.; Knight, K. S.; Charnock, J. M.","Composition and temperature dependence of cation ordering in Ni-Mg olivine solid solutions: A time-of-flight neutron powder diffraction and EXAFS study Sample: Mg80Ni20 at T = 300 C, on cooling","American Mineralogist","2001","86","","1170","1187","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:29","" "9002633","4.74737","","10.2069","","5.9679","","90","","90","","90","","289.18","","","","298.15","","","","","","","","","4","P b n m","-P 2c 2ab","62","","","Olivine","- Mg1.6 Ni0.4 O4 Si -","- Mg1.6 Ni0.4 O4 Si -","- Mg6.4 Ni1.6 O16 Si4 -","4","0.5","","Henderson, C. M. B.; Redfern, S. A. T.; Smith, R. I.; Knight, K. S.; Charnock, J. M.","Composition and temperature dependence of cation ordering in Ni-Mg olivine solid solutions: A time-of-flight neutron powder diffraction and EXAFS study Sample: Mg80Ni20 at T = 25 C, on cooling","American Mineralogist","2001","86","","1170","1187","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:29","" "9002634","11.965","","11.965","","11.965","","90","","90.14","","90.01","","1712.92","","","","","","","","","","","","","5","I -1","-P 1 (-1/2*x+1/2*y+1/2*z,1/2*x-1/2*y+1/2*z,1/2*x+1/2*y-1/2*z)","2","","","Uvarovite","- Al0.538 Ca3 Cr1.462 O12 Si3 -","- Al0.53775 Ca3 Cr1.46225 O12 Si3 -","- Al4.302 Ca24 Cr11.698 O96 Si24 -","8","","","Wildner, M.; Andrut, M.","The crystal chemistry of birefringent natural uvarovites: Part II. Single-crystal X-ray structures Sample: Sar-k12","American Mineralogist","2001","86","","1231","1251","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:29","" "9002635","11.959","","16.958","","16.958","","90","","90","","90","","3439.09","","","","","","","","","","","","","5","F d d d :2","-F 2uv 2vw","70","","","Uvarovite","- Al0.577 Ca3 Cr1.423 O12 Si3 -","- Al0.577 Ca3 Cr1.423 O12 Si3 -","- Al9.232 Ca48 Cr22.768 O192 Si48 -","16","0.5","","Wildner, M.; Andrut, M.","The crystal chemistry of birefringent natural uvarovites: Part II. Single-crystal X-ray structures Sample: Sar-899","American Mineralogist","2001","86","","1231","1251","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:29","" "9002636","11.925","","11.926","","11.926","","90.04","","90.1","","90.04","","1696.08","","","","","","","","","","","","","5","I -1","-P 1 (-1/2*x+1/2*y+1/2*z,1/2*x-1/2*y+1/2*z,1/2*x+1/2*y-1/2*z)","2","","","Uvarovite","- Al0.939 Ca3 Cr1.061 O12 Si3 -","- Al0.939 Ca3 Cr1.061 O12 Si3 -","- Al7.512 Ca24 Cr8.488 O96 Si24 -","8","","","Wildner, M.; Andrut, M.","The crystal chemistry of birefringent natural uvarovites: Part II. Single-crystal X-ray structures Sample: Ska-1","American Mineralogist","2001","86","","1231","1251","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:29","" "9002637","9.839","","26.6471","","5.2665","","90","","106.25","","90","","1325.61","","","","","","","","","","","","","8","A 1 2/m 1","-A 2y","12","","","Clinopyribole","- Al1.22 Ca1.52 H2 K1.1 Mg5.84 Na2.32 O36 Si12 -","- Al1.22 Ca1.52 H2 K1.1 Mg5.84 Na2.32 O36 Si12 -","- Al2.44 Ca3.04 H4 K2.2 Mg11.68 Na4.64 O72 Si24 -","2","0.25","","Yang, H.; Konzett, J.; Prewitt, C. T.","Crystal structure of a new (21)-clinopyribole synthesized at high temperature and pressure","American Mineralogist","2001","86","","1261","1266","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:29","" "9002638","11.778","","9.469","","9.851","","90","","95.26","","90","","1094.02","","","","100","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","Leonite","- H8 K2 Mg O12 S2 -","- H8 K2 Mg O12 S2 -","- H32 K8 Mg4 O48 S8 -","4","1","","Hertweck, B.; Giester, G.; Libowitzky, E.","The crystal structures of the low-temperature phases of leonite-type compounds, K2Me(SO4)2.4H2O (Me=Mg,Mn,Fe) Sample: K2Mg(SO4)2.4H2O, T = 100 K","American Mineralogist","2001","86","","1282","1292","","","","","","","","","","","","","","","","","","","","","","has coordinates","283850","2023-05-18","07:16:44","" "9002639","11.78","","9.486","","19.73","","90","","95.23","","90","","2195.55","","","","170","","","","","","","","","5","I 1 2/a 1","","","","","Leonite","- H8 K2 Mg O12 S2 -","- H8 K2 Mg O12 S2 -","- H64 K16 Mg8 O96 S16 -","8","1","","Hertweck, B.; Giester, G.; Libowitzky, E.","The crystal structures of the low-temperature phases of leonite-type compounds, K2Me(SO4)2.4H2O (Me=Mg,Mn,Fe) Sample: K2Mg(SO4)2.4H2O, T = 170 K","American Mineralogist","2001","86","","1282","1292","","","","","","","","","","","","","","","","","","","","","","has coordinates","283850","2023-05-18","07:16:44","" "9002640","11.769","","9.539","","9.889","","90","","95.31","","90","","1105.42","","","","293","","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","Leonite","- H8 K2 Mg O12 S2 -","- H8 K2 Mg O12 S2 -","- H32 K8 Mg4 O48 S8 -","4","0.5","","Hertweck, B.; Giester, G.; Libowitzky, E.","The crystal structures of the low-temperature phases of leonite-type compounds, K2Me(SO4)2.4H2O (Me=Mg,Mn,Fe) Sample: K2Mg(SO4)2.4H2O, T = 293 K","American Mineralogist","2001","86","","1282","1292","","","","","","","","","","","","","","","","","","","","","","has coordinates","283850","2023-05-18","07:16:44","" "9002641","12.031","","9.531","","9.902","","90","","95.02","","90","","1131.08","","","","110","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","Leonite","- H8 K2 Mn O12 S2 -","- H8 K2 Mn O12 S2 -","- H32 K8 Mn4 O48 S8 -","4","1","","Hertweck, B.; Giester, G.; Libowitzky, E.","The crystal structures of the low-temperature phases of leonite-type compounds, K2Me(SO4)2.4H2O (Me=Mg,Mn,Fe) Sample: K2Mn(SO4)2.4H2O, T = 110 K","American Mineralogist","2001","86","","1282","1292","","","","","","","","","","","","","","","","","","","","","","has coordinates","283850","2023-05-18","07:16:44","" "9002642","12.035","","9.549","","19.839","","90","","94.99","","90","","2271.3","","","","185","","","","","","","","","5","I 1 2/a 1","","","","","Leonite","- H8 K2 Mn O12 S2 -","- H8 K2 Mn O12 S2 -","- H64 K16 Mn8 O96 S16 -","8","1","","Hertweck, B.; Giester, G.; Libowitzky, E.","The crystal structures of the low-temperature phases of leonite-type compounds, K2Me(SO4)2.4H2O (Me=Mg,Mn,Fe) Sample: K2Mn(SO4)2.4H2O, T = 185 K","American Mineralogist","2001","86","","1282","1292","","","","","","","","","","","","","","","","","","","","","","has coordinates","283850","2023-05-18","07:16:44","" "9002643","12.017","","9.594","","9.949","","90","","95.03","","90","","1142.61","","","","293","","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","Leonite","- H8 K2 Mn O12 S2 -","- H8 K2 Mn O12 S2 -","- H32 K8 Mn4 O48 S8 -","4","0.5","","Hertweck, B.; Giester, G.; Libowitzky, E.","The crystal structures of the low-temperature phases of leonite-type compounds, K2Me(SO4)2.4H2O (Me=Mg,Mn,Fe) Sample: K2Mn(SO4)2.4H2O, T = 293 K","American Mineralogist","2001","86","","1282","1292","","","","","","","","","","","","","","","","","","","","","","has coordinates","283850","2023-05-18","07:16:44","" "9002644","11.834","","9.502","","9.913","","90","","94.87","","90","","1110.66","","","","185","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","Mereiterite","- Fe H8 K2 O12 S2 -","- Fe H8 K2 O12 S2 -","- Fe4 H32 K8 O48 S8 -","4","1","","Hertweck, B.; Giester, G.; Libowitzky, E.","The crystal structures of the low-temperature phases of leonite-type compounds, K2Me(SO4)2.4H2O (Me=Mg,Mn,Fe) Sample: K2Fe(SO4)2.4H2O, T = 185 K","American Mineralogist","2001","86","","1282","1292","","","","","","","","","","","","","","","","","","","","","","has coordinates","283850","2023-05-18","07:16:44","" "9002645","11.837","","9.547","","9.939","","90","","94.88","","90","","1119.11","","","","293","","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","Mereiterite","- Fe H8 K2 O12 S2 -","- Fe H8 K2 O12 S2 -","- Fe4 H32 K8 O48 S8 -","4","0.5","","Hertweck, B.; Giester, G.; Libowitzky, E.","The crystal structures of the low-temperature phases of leonite-type compounds, K2Me(SO4)2.4H2O (Me=Mg,Mn,Fe) Sample: K2Fe(SO4)2.4H2O, T = 293 K","American Mineralogist","2001","86","","1282","1292","","","","","","","","","","","","","","","","","","","","","","has coordinates","283850","2023-05-18","07:16:44","" "9002646","3.0725","","3.0725","","15.114","","90","","90","","120","","123.565","","","","","","","","","","","","","5","P 63/m m c","-P 6c 2c","194","","","Zaccagnaite","- C H2 Al0.333 O5 Zn0.667 -","- C H2 Al0.33333 O5 Zn0.66667 -","- C2 H4 Al0.66666 O10 Zn1.33334 -","2","0.0833333","","Merlino, S.; Orlandi, P.","Carraraite and zaccagnaite, two new minerals from the Carrara marble quarries: their chemical compositions, physical properties and structural features","American Mineralogist","2001","86","","1293","1301","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:29","" "9002647","11.056","","11.056","","10.629","","90","","90","","120","","1125.17","","","","","","","","","","","","","6","P 63/m","-P 6c","176","","","Carraraite","- C2 H30 Ca3 Ge O26 S2 -","- C2 H30 Ca3 Ge O26 S2 -","- C4 H60 Ca6 Ge2 O52 S4 -","2","0.166667","","Merlino, S.; Orlandi, P.","Carraraite and zaccagnaite, two new minerals from the Carrara marble quarries: their chemical compositions, physical properties and structural features","American Mineralogist","2001","86","","1293","1301","","","","","","","","","","","","","","","","","","","","","","has coordinates","283960","2023-05-23","08:42:00","" "9002648","8.7371","","4.8692","","10.7217","","90","","90.193","","90","","456.127","","","","298","","","","","","","","","2","I 1 2/a 1","-I 2ya","15","","","Moganite","- O2 Si -","- O2 Si -","- O24 Si12 -","12","1.5","","Heaney, P. J.; Post, J. E.","Evidence for an I2/a to Imab phase transition in the silica polymorph moganite at ~570 K Sample: T = 298 K, neutron","American Mineralogist","2001","86","","1358","1366","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:29","" "9002649","8.8159","","4.9371","","10.7605","","90","","90","","90","","468.351","","","","1354","","","","","","","","","2","I m c b","-I 2a 2","72","","","Moganite","- O2 Si -","- O2 Si -","- O24 Si12 -","12","0.75","","Heaney, P. J.; Post, J. E.","Evidence for an I2/a to Imab phase transition in the silica polymorph moganite at ~570 K Sample: T = 1354 K","American Mineralogist","2001","86","","1358","1366","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:29","" "9002650","5.332","","9.224","","14.414","","90","","97.07","","90","","703.524","","","","","","","","0","","","","","5","C 1 2/m 1","-C 2y","12","","","Clinochlore (deuterated)","- Al2 D8 Mg5 O18 Si3 -","- Al2 D8 Mg5 O18 Si3 -","- Al4 D16 Mg10 O36 Si6 -","2","0.25","","Welch, M. D.; Marshall, W. G.","High-pressure behaviour of clinochlore Sample: P = 0 GPa","American Mineralogist","2001","86","","1380","1386","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:29","" "9002651","5.308","","9.186","","14.316","","90","","97.27","","90","","692.426","","","","","","","","1200000","","","","","5","C 1 2/m 1","-C 2y","12","","","Clinochlore (deuterated)","- Al2 D8 Mg5 O18 Si3 -","- Al2 D8 Mg5 O18 Si3 -","- Al4 D16 Mg10 O36 Si6 -","2","0.25","","Welch, M. D.; Marshall, W. G.","High-pressure behaviour of clinochlore P = 1.2 GPa","American Mineralogist","2001","86","","1380","1386","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:29","" "9002652","5.283","","9.143","","14.22","","90","","96.88","","90","","681.915","","","","","","","","2460000","","","","","5","C 1 2/m 1","-C 2y","12","","","Clinochlore (deuterated)","- Al2 D8 Mg5 O18 Si3 -","- Al2 D8 Mg5 O18 Si3 -","- Al4 D16 Mg10 O36 Si6 -","2","0.25","","Welch, M. D.; Marshall, W. G.","High-pressure behaviour of clinochlore P = 2.46 GPa","American Mineralogist","2001","86","","1380","1386","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:29","" "9002653","5.243","","9.068","","14.117","","90","","97.38","","90","","665.612","","","","","","","","4650000","","","","","5","C 1 2/m 1","-C 2y","12","","","Clinochlore (deuterated)","- Al2 D8 Mg5 O18 Si3 -","- Al2 D8 Mg5 O18 Si3 -","- Al4 D16 Mg10 O36 Si6 -","2","0.25","","Welch, M. D.; Marshall, W. G.","High-pressure behaviour of clinochlore P = 4.65 GPa","American Mineralogist","2001","86","","1380","1386","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:29","" "9002654","20.1847","","20.1847","","5.6203","","90","","90","","90","","2289.83","","","","","","","","","","","","","4","I -4 2 d","I -4 2bw","122","","","","- Al17.499 Ca4 Fe1.501 O32 -","- Al17.499 Ca4 Fe1.501 O32 -","- Al69.996 Ca16 Fe6.004 O128 -","4","0.25","","Kahlenberg, V.; Shaw, C. S. J.; Parise, J. B.","Crystal structure analysis of synthetic Ca4Fe1.5Al17.67O32: A high pressure, spinel-related phase","American Mineralogist","2001","86","","1477","1482","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:29","" "9002655","4.9827","","4.9827","","6.4354","","90","","90","","120","","138.368","","","","","","","","","","","","","5","P -3 1 m","-P 3 2","162","Phase-X","","Phase-X","- Al0.12 Mg1.88 Na1.78 O7 Si2 -","- Al0.12 Mg1.88 Na1.78 O7 Si2 -","- Al0.12 Mg1.88 Na1.78 O7 Si2 -","1","0.0833333","","Yang, H.; Konzett, J.; Prewitt, C. T.","Crystal structure of phase X, a high pressure alkali-rich hydrous silicate and its anhydrous equivalent Sample: JKW42","American Mineralogist","2001","86","","1483","1488","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:29","" "9002656","5.0812","","5.0812","","13.2112","","90","","90","","120","","295.397","","","","","","","","","","","","","4","P 63 c m","P 6c -2","185","Phase-X","","Phase-X","- K1.54 Mg1.92 O7 Si2 -","- K1.54 Mg1.92 O7 Si2 -","- K3.08 Mg3.84 O14 Si4 -","2","0.166667","","Yang, H.; Konzett, J.; Prewitt, C. T.","Crystal structure of phase X, a high pressure alkali-rich hydrous silicate and its anhydrous equivalent Sample: JKW56","American Mineralogist","2001","86","","1483","1488","","","","","","","","","","","","","","","","","","","","","","has coordinates","283960","2023-05-23","08:42:00","" "9002657","9.846","","18.009","","5.277","","90","","104.77","","90","","904.781","","","","","","","","","","","","","11","C 1 2/m 1","-C 2y","12","","","Fluoro-edenite","- Al0.56 Ca1.62 Cl0.02 F1.98 Fe0.3 K0.15 Mg4.74 Mn0.04 Na0.85 O22 Si7.44 -","- Al0.56 Ca1.62 Cl0.02 F1.98 Fe0.3 K0.15 Mg4.74 Mn0.04 Na0.85 O22 Si7.44 -","- Al1.12 Ca3.24 Cl0.04 F3.96 Fe0.6 K0.3 Mg9.48 Mn0.08 Na1.7 O44 Si14.88 -","2","0.25","","Gianfagna, A.; Oberti, R.","Fluoro-edenite from Biancavilla (Catania, Sicily, Italy): Crystal chemistry of a new amphibole end-member","American Mineralogist","2001","86","","1489","1493","","","","","","","","","","","","","","","","","","","","","","has coordinates","283960","2023-05-23","08:42:02","" "9002658","8.259","","8.259","","204.3","","90","","90","","120","","12068.5","","","","","","","","","","","","","6","R -3 c :H","-R 3 2""c","167","","","Turtmannite","- As6.72 Mg26.64 Mn119 O291.6 Si16.56 V14.28 -","- As6.72 Mg26.64 Mn117 O291.6 Si16.56 V14.28 -","- As13.44 Mg53.28 Mn234 O583.2 Si33.12 V28.56 -","2","0.0555556","","Brugger, J.; Armbruster, T.; Meisser, N.; Hejny, C.; Grobety, B.","Description and crystal structure of turtmannite, a new mineral with a 68 Angstrom period related to mcgovernite Note: z-coordinate of Mn12 has been modified","American Mineralogist","2001","86","","1494","1505","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:29","" "9002659","26.818","","26.818","","13.365","","90","","90","","90","","9612.18","","","","","","","","","","","","","4","P 42/n b c","","","","","Melanophlogite","- C Mg3 O46 Si23 -","- C Mg3 O46 Si23 -","- C8 Mg24 O368 Si184 -","8","","","Nakagawa, T.; Kihara, K.; Harada, K.","The crystal structure of low melanophlogite","American Mineralogist","2001","86","","1506","1512","","","","","","","","","","","","","","","","","","","","","","has coordinates","283960","2023-05-23","08:42:05","" "9002660","7.6819","","7.681","","2.91842","","90","","90","","90","","172.2","","","","","","","","","","","","","3","P b a m","-P 2 2ab","55","","","Mullite","- Al3 Na0.335 O4.665 -","- Al3 Na0.335 O4.665 -","- Al6 Na0.67 O9.33 -","2","0.25","","Fischer, R. X.; Schmucker, M.; Angerer, P.; Schneider, H.","Crystal structures of Na and K aluminate mullites Sample: Na","American Mineralogist","2001","86","","1513","1518","","","","","","","","","","","","","","","","","","","","","","has coordinates","283857","2023-05-18","09:26:08","" "9002661","7.6934","","7.6727","","2.93231","","90","","90","","90","","173.092","","","","","","","","","","","","","3","P b a m","-P 2 2ab","55","","","Mullite","- Al3 K0.335 O4.665 -","- Al3 K0.335 O4.665 -","- Al6 K0.67 O9.33 -","2","0.25","","Fischer, R. X.; Schmucker, M.; Angerer, P.; Schneider, H.","Crystal structures of Na and K aluminate mullites Sample: K","American Mineralogist","2001","86","","1513","1518","","","","","","","","","","","","","","","","","","","","","","has coordinates","283857","2023-05-18","09:26:08","" "9004611","4.9652","","11.7831","","5.6462","","90","","90","","90","","330.333","","","","","","","","","","","","northwestern Argentina","5","P c n n","-P 2ab 2c","52","","","Bismutotantalite","- Bi0.98 Nb0.11 O4 Sb0.02 Ta0.89 -","- Bi0.98 Nb0.11 O4 Sb0.02 Ta0.89 -","- Bi3.92 Nb0.44 O16 Sb0.08 Ta3.56 -","4","0.5","","Galliski, M. A.; Marquez-Zavalia M F; Cooper, M. A.; Cerny, P.; Hawthorne, F. C.","Bismutotantalite from northwestern Argentina: Description and crystal structure Sample: [Bi] phase","The Canadian Mineralogist","2001","39","","103","110","10.2113/gscanmin.39.1.103","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:41","" "9004612","4.9471","","11.7878","","5.6048","","90","","90","","90","","326.846","","","","","","","","","","","","northwestern Argentina","5","P c n n","-P 2ab 2c","52","","","Bismutotantalite","- Bi0.68 Nb0.11 O4 Sb0.32 Ta0.89 -","- Bi0.68 Nb0.11 O4 Sb0.32 Ta0.89 -","- Bi2.72 Nb0.44 O16 Sb1.28 Ta3.56 -","4","0.5","","Galliski, M. A.; Marquez-Zavalia M F; Cooper, M. A.; Cerny, P.; Hawthorne, F. C.","Bismutotantalite from northwestern Argentina: Description and crystal structure Sample: [Bi,Sb] phase","The Canadian Mineralogist","2001","39","","103","110","10.2113/gscanmin.39.1.103","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:41","" "9004613","10.2571","","8.0487","","6.4043","","90","","127.86","","90","","417.428","","","","","","","","","","","","","4","C 1 2 1","C 2y","5","","","","- B5 H2 O11 Sr2 -","- B5 H2 O11 Sr2 -","- B10 H4 O22 Sr4 -","2","0.5","","Barbier, J.; Park, H.","Sr2B5O9OH.H2O, a synthetic borate related to hilgardite","The Canadian Mineralogist","2001","39","","129","135","10.2113/gscanmin.39.1.129","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:41","" "9004614","7.953","","9.873","","7.362","","111","","94.65","","107.53","","502.874","","","","","","","","","","","","Fuka mine, Okayama Prefecture, Japan","4","P -1","-P 1","2","","","Olshanskyite","- B3 Ca2 H13 O13 -","- B3 Ca2 H13 O13 -","- B6 Ca4 H26 O26 -","2","1","","Callegari, A.; Mazzi, F.; Tadini, C.","The crystal structure of olshanskyite","The Canadian Mineralogist","2001","39","","137","144","10.2113/gscanmin.39.1.137","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:41","" "9004615","5.4317","","5.4317","","8.8571","","90","","90","","120","","226.305","","","","","","","","","","","","","5","P 63 m c","P 6c -2c","186","","","Swedenborgite","- Be4 Ca0.04 Na0.89 O7 Sb -","- Be4 Ca0.04 Na0.89 O7 Sb -","- Be8 Ca0.08 Na1.78 O14 Sb2 -","2","0.166667","","Huminicki, D. M. C.; Hawthorne, F. C.","Refinement of the crystal structure of swedenborgite","The Canadian Mineralogist","2001","39","","153","158","10.2113/gscanmin.39.1.153","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42","" "9004616","13.8964","","13.8964","","7.7001","","90","","90","","120","","1287.75","","","","","","","","","","","","Khibina-Lovozero complex, Kola Peninsula, Russia","4","P 63","P 6c","173","","","Malinkoite","- B Na O4 Si -","- B Na O4 Si -","- B18 Na18 O72 Si18 -","18","3","","Sokolova, E. V.; Hawthorne, F. C.; Khomyakov, A. P.","The crystal chemistry of malinkoite, NaBSiO4, and lisitsynite, KBSi2O6, from the Khibina-Lovozero complex, Kola Peninsula, Russia","The Canadian Mineralogist","2001","39","","159","169","10.2113/gscanmin.39.1.159","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42","" "9004617","9.8339","","18.0357","","5.2974","","90","","104.195","","90","","910.866","","","","","","","","","","","","Ilmen mountains, southern Urals, Russia","12","C 1 2/m 1","-C 2y","12","","","Winchite","- Al0.32 Ca0.66 F0.23 Fe1.92 H1.77 K0.13 Mg2.79 Mn0.07 Na1.34 O23.77 Si7.88 Ti0.01 -","- Al0.32 Ca0.66 F0.23 Fe1.92 H1.77 K0.13 Mg2.79 Mn0.07 Na1.34 O23.77 Si7.88 Ti0.01 -","- Al0.64 Ca1.32 F0.46 Fe3.84 H3.54 K0.26 Mg5.58 Mn0.14 Na2.68 O47.54 Si15.76 Ti0.02 -","2","0.25","","Sokolova, E. V.; Hawthorne, F. C.; Gorbatova, V.; McCammon, C.; Schneider, J.","Ferrian winchite from the Ilmen mountains, southern Urals, Russia and some problems with the current scheme for amphibole nomenclature Note: x-coordinate of T1 and all coordinates of O6 adjusted to match reported bond lengths","The Canadian Mineralogist","2001","39","","171","177","10.2113/gscanmin.39.1.171","","","","","","","","","","","","","","","","","","","","","has coordinates","283868","2023-05-18","14:40:10","" "9004618","6.918","","10.127","","10.296","","77.036","","73.989","","76.272","","663.714","","","","","","","","","","","","","5","P -1","-P 1","2","","","Mitryaevaite","- Al5 F2 H40 O32.48 P4 -","- Al5 F2 H38.96 O32.48 P4 -","- Al5 F2 H38.96 O32.48 P4 -","1","0.5","","Cahill, C. L.; Krivovichev, S. V.; Burns, P. C.; Bekenova, G. K.; Shabanova, T. A.","The crystal structure of mitryaevaite, Al5(PO4)2[(P,S)O3(OH,O)]2F2(OH)2(H2O)8*6.48H2O, determined from a microcrystal using synchrotron radiation","The Canadian Mineralogist","2001","39","","179","186","10.2113/gscanmin.39.1.179","","","","","","","","","","","","","","","","","","","","","has coordinates","283866","2023-05-18","12:54:09","" "9004619","14.209","","14.248","","35.869","","90","","90","","90","","7261.67","","","","","","","","","","","","","7","C m m b","-C 2a 2a","67","","","Weeksite","- Ba Ca0.48 H4.74 K4.96 O72.12 Si20 U8 -","- Ba Ca0.48 H8.24 K4.96 O72.12 Si20 U8 -","- Ba4 Ca1.92 H32.96 K19.84 O288.48 Si80 U32 -","4","0.25","","Jackson, J. M.; Burns, P. C.","A re-evaluation of the structure of weeksite, a uranyl silicate framework mineral","The Canadian Mineralogist","2001","39","","187","195","10.2113/gscanmin.39.1.187","","","","","","","","","","","","","","","","","","","","","has coordinates","284046","2023-05-28","13:40:50","" "9004620","7.637","","8.164","","8.746","","72.329","","79.364","","65.795","","472.757","","","","","","","","","","","","","4","P -1","-P 1","2","","","","- Mo4 Na6 O21 U2 -","- Mo4 Na6 O21 U2 -","- Mo4 Na6 O21 U2 -","1","0.5","","Krivovichev, S. V.; Burns, P. C.","Crystal chemistry of uranyl molybdates. III. New structural themes in Na6[(UO2)2O(MoO4)4], Na6[(UO2)(MoO4)4] and K6[(UO2)2O(MoO4)4]","The Canadian Mineralogist","2001","39","","197","206","10.2113/gscanmin.39.1.197","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42","" "9004621","7.0958","","9.566","","13.415","","73.692","","86.621","","82.94","","867.041","","","","","","","","","","","","","4","P -1","-P 1","2","","","","- Mo8 Na12 O36 U2 -","- Mo8 Na12 O36 U2 -","- Mo8 Na12 O36 U2 -","1","0.5","","Krivovichev, S. V.; Burns, P. C.","Crystal chemistry of uranyl molybdates. III. New structural themes in Na6[(UO2)2O(MoO4)4], Na6[(UO2)(MoO4)4] and K6[(UO2)2O(MoO4)4]","The Canadian Mineralogist","2001","39","","197","206","10.2113/gscanmin.39.1.197","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42","" "9004622","7.8282","","7.8298","","10.302","","83.893","","73.131","","80.338","","594.586","","","","","","","","","","","","","4","P -1","-P 1","2","","","","- K6 Mo4 O21 U2 -","- K6 Mo4 O21 U2 -","- K6 Mo4 O21 U2 -","1","0.5","","Krivovichev, S. V.; Burns, P. C.","Crystal chemistry of uranyl molybdates. III. New structural themes in Na6[(UO2)2O(MoO4)4], Na6[(UO2)(MoO4)4] and K6[(UO2)2O(MoO4)4]","The Canadian Mineralogist","2001","39","","197","206","10.2113/gscanmin.39.1.197","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42","" "9004623","13.99","","10.808","","25.671","","90","","90","","90","","3881.56","","","","","","","","","","","","","5","P b c m","-P 2c 2b","57","","","","- Cs3 H4 Mo7 O42 U6 -","- Cs3 H4 Mo7 O42 U6 -","- Cs12 H16 Mo28 O168 U24 -","4","0.5","","Krivovichev, S. V.; Burns, P. C.","Crystal chemistry of uranyl molybdates. IV. The structures of M2[(UO2)6(MoO4)7(H2O)2] (M=Cs,NH4)","The Canadian Mineralogist","2001","39","","207","214","10.2113/gscanmin.39.1.207","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:51:37","" "9004624","13.97","","10.747","","25.607","","90","","90","","90","","3844.52","","","","","","","","","","","","","5","P b c m","-P 2c 2b","57","","","","- H4 Mo7 N3 O42 U6 -","- H4 Mo7 N3 O42 U6 -","- H16 Mo28 N12 O168 U24 -","4","0.5","","Krivovichev, S. V.; Burns, P. C.","Crystal chemistry of uranyl molybdates. IV. The structures of M2[(UO2)6(MoO4)7(H2O)2] (M=Cs,NH4)","The Canadian Mineralogist","2001","39","","207","214","10.2113/gscanmin.39.1.207","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:51:37","" "9004625","5.0453","","9.044","","18.366","","90","","90","","90","","838.035","","","","","","","","","","","","Fresno County, California, USA","4","P n m a","-P 2ac 2n","62","","","Bigcreekite","- Ba H8 O9 Si2 -","- Ba H8 O9 Si2 -","- Ba4 H32 O36 Si8 -","4","0.5","","Basciano, L. C.; Groat, L. A.; Roberts, A. C.; Gault, R. A.; Dunning, G. E.; Walstrom, R. E.","Bigcreekite: A new barium silicate mineral species from Fresno County, California Locality: Fresno County, California, USA","The Canadian Mineralogist","2001","39","","761","768","10.2113/gscanmin.39.3.761","","","","","","","","","","","","","","","","","","","","","has coordinates","283960","2023-05-23","08:42:07","" "9004626","9.63","","9.6392","","12.6118","","102.422","","96.227","","119.888","","958.542","","","","","","","","","","","","Turiy complex, Kola Peninsula, Russia","7","P -1","-P 1","2","","","Fedorite","- Ca4.03 F2 H10 K0.8 Na4.51 O41.7 Si16 -","- Ca4.03 F2 H7.4 K0.8 Na4.51 O41.7 Si16 -","- Ca4.03 F2 H7.4 K0.8 Na4.51 O41.7 Si16 -","1","0.5","","Mitchell, R. H.; Burns, P. C.","The structure of fedorite: A re-appraisal","The Canadian Mineralogist","2001","39","","769","777","10.2113/gscanmin.39.3.769","","","","","","","","","","","","","","","","","","","","","has coordinates","283866","2023-05-18","12:54:09","" "9004627","9.645","","9.6498","","12.6165","","102.427","","96.247","","119.894","","961.241","","","","","","","","","","","","Little Murun complex, Sakha, Russia","7","P -1","-P 1","2","","","Fedorite","- Ca4.49 F2 H10 K0.78 Na3.79 O41.46 Si16 -","- Ca4.49 F2 H6.92 K0.78 Na3.79 O41.46 Si16 -","- Ca4.49 F2 H6.92 K0.78 Na3.79 O41.46 Si16 -","1","0.5","","Mitchell, R. H.; Burns, P. C.","The structure of fedorite: A re-appraisal","The Canadian Mineralogist","2001","39","","769","777","10.2113/gscanmin.39.3.769","","","","","","","","","","","","","","","","","","","","","has coordinates","283866","2023-05-18","12:54:09","" "9004628","3.977","","3.977","","12.566","","90","","90","","90","","198.751","","","","","","","","","","","","","4","I 4/m m m","-I 4 2","139","","","Schwartzembergite","- Cl I0.334 O2 Pb1.666 -","- Cl I0.334 O2 Pb1.666 -","- Cl2 I0.668 O4 Pb3.332 -","2","0.0625","","Welch, M. D.; Hawthorne, F. C.; Cooper, M. A.; Kyser, T. K.","Trivalent iodine in the crystal structure of schwartzembergite, Pb5IO6H2Cl3","The Canadian Mineralogist","2001","39","","785","795","10.2113/gscanmin.39.3.785","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42","" "9004629","6.9879","","16.4537","","17.2229","","90","","90","","90","","1980.23","","","","","","","","","","","","","5","P b n 21","P 2c -2ab","33","","","Marthozite","- Cu H16 O22 Se2 U3 -","- Cu H16 O22 Se2 U3 -","- Cu4 H64 O88 Se8 U12 -","4","1","","Cooper, M. A.; Hawthorne, F. C.","Structure topology and hydrogen bonding in mathozite, Cu[(UO2)3(SeO3)2O2](H2O)8, a comparison with guilleminite, Ba[(UO2)3(SeO3)2O2](H2O)3","The Canadian Mineralogist","2001","39","","797","807","10.2113/gscanmin.39.3.797","","","","","","","","","","","","","","","","","","","","","has coordinates","283960","2023-05-23","08:42:07","" "9004630","9.943","","9.366","","8.908","","90","","102.007","","90","","811.419","","","","","","","","","","","","Conical Seamount, Lihir Island, Papua, New Guinea.","2","C 1 2/c 1","-C 2yc","15","","","Beta-As4S4","- As S -","- As S -","- As16 S16 -","16","2","","Burns, P. C.; Percival, J. B.","Alacranite, As4S4: A new occurrence, new formula, and determination of the crystal structure Note: This mineral was misidentified by the authors","The Canadian Mineralogist","2001","39","","809","818","10.2113/gscanmin.39.3.809","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42","" "9004631","10.7409","","10.7409","","7.0955","","90","","90","","120","","708.916","","","","","","","","","","","","","7","P 3 m 1","P 3 -2""","156","","","Fencooperite","- C2 H1.38 Ba6 Cl1.62 Fe3 O31.38 Si8 -","- C2 H1.38 Ba6 Cl1.62 Fe3 O31.38 Si8 -","- C2 H1.38 Ba6 Cl1.62 Fe3 O31.38 Si8 -","1","0.166667","","Grice, J. D.","The crystal structure of fencooperite: Unique [Fe3O13] pinwheels cross-connected by [Si8O22] islands","The Canadian Mineralogist","2001","39","","1065","1071","10.2113/gscanmin.39.4.1065","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:51:37","" "9004632","13.398","","5.6974","","11.042","","90","","100.539","","90","","828.659","","","","","","","","","","","","Ilmen Mountains, Southern Urals, Russia","14","C 1 2/m 1","-C 2y","12","","","Polyakovite-(Ce)","- Ca0.24 Ce1.84 Cr1.28 Fe0.92 La1.24 Mg0.8 Nb0.32 Nd0.36 O22 Pr0.16 Si4 Th0.12 Ti1.52 Y0.04 -","- Ca0.24 Ce1.84 Cr1.28 Fe0.92 La1.24 Mg0.8 Nb0.32 Nd0.36 O22 Pr0.16 Si4 Th0.12 Ti1.52 Y0.04 -","- Ca0.48 Ce3.68 Cr2.56 Fe1.84 La2.48 Mg1.6 Nb0.64 Nd0.72 O44 Pr0.32 Si8 Th0.24 Ti3.04 Y0.08 -","2","0.25","","Popov, V. A.; Pautov, L. A.; Sokolova, E. V.; Hawthorne, F. C.; McCammon, C. A.; Bazhenova, L. F.","Polyakovite-(Ce), (REE,Ca)4(Mg,Fe)(Cr,Fe)2(Ti,Nb)2Si4O22, a new metamict mineral species from the Ilmen Mountains, Southern Urals, Russia: Mineral discription and crystal chemistry","The Canadian Mineralogist","2001","39","","1095","1104","10.2113/gscanmin.39.4.1095","","","","","","","","","","","","","","","","","","","","","has coordinates","284046","2023-05-28","13:40:50","" "9004633","4.744","","7.571","","9.811","","90","","90.26","","90","","352.376","","","","","","","","","","","","Cuasso al Monte, Italy","8","P 1 21/c 1","-P 2ybc","14","","","Hingganite-(Y)","- B0.5 Be1.5 Ca0.5 Fe0.27 H2 O10 Si2 Y1.5 -","- B0.5 Be1.5 Ca0.5 Fe0.27 O10 Si2 Y1.5 -","- B Be3 Ca Fe0.54 O20 Si4 Y3 -","2","0.5","","DeMartin, F.; Minaglia, A.; Gramaccioli, C. M.","Characterization of gadolinite-group minerals using crystallographic data only: The case of hingganite-(Y) from Cuasso al Monte, Italy Sample 1","The Canadian Mineralogist","2001","39","","1105","1114","10.2113/gscanmin.39.4.1105","","","","","","","","","","","","","","","","","","","","","has coordinates","284046","2023-05-28","13:40:50","" "9004634","4.739","","7.607","","9.898","","90","","90.45","","90","","356.808","","","","","","","","","","","","Cuasso al Monte, Italy","8","P 1 21/c 1","-P 2ybc","14","","","Hingganite-(Y)","- B0.3 Be1.7 Ca0.3 Fe0.31 H2 O10 Si2 Y1.7 -","- B0.3 Be1.7 Ca0.3 Fe0.31 O10 Si2 Y1.7 -","- B0.6 Be3.4 Ca0.6 Fe0.62 O20 Si4 Y3.4 -","2","0.5","","DeMartin, F.; Minaglia, A.; Gramaccioli, C. M.","Characterization of gadolinite-group minerals using crystallographic data only: The case of hingganite-(Y) from Cuasso al Monte, Italy Sample 2","The Canadian Mineralogist","2001","39","","1105","1114","10.2113/gscanmin.39.4.1105","","","","","","","","","","","","","","","","","","","","","has coordinates","284046","2023-05-28","13:40:50","" "9004635","4.743","","7.617","","9.905","","90","","90.47","","90","","357.83","","","","","","","","","","","","Cuasso al Monte, Italy","8","P 1 21/c 1","-P 2ybc","14","","","Hingganite-(Y)","- B0.4 Be1.6 Ca0.4 Fe0.26 H2 O10 Si2 Y1.6 -","- B0.4 Be1.6 Ca0.4 Fe0.26 O10 Si2 Y1.6 -","- B0.8 Be3.2 Ca0.8 Fe0.52 O20 Si4 Y3.2 -","2","0.5","","DeMartin, F.; Minaglia, A.; Gramaccioli, C. M.","Characterization of gadolinite-group minerals using crystallographic data only: The case of hingganite-(Y) from Cuasso al Monte, Italy Sample 3","The Canadian Mineralogist","2001","39","","1105","1114","10.2113/gscanmin.39.4.1105","","","","","","","","","","","","","","","","","","","","","has coordinates","284046","2023-05-28","13:40:50","" "9004636","16.95","","11.65","","6.266","","90","","90","","90","","1237.33","","","","","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","Gladiusite","- Fe4.1 H11.32 Mg1.69 Mn0.05 O16 P -","- Fe4.1 H13 Mg1.69 Mn0.05 O16 P -","- Fe16.4 H52 Mg6.76 Mn0.2 O64 P4 -","4","1","","Sokolova, E. V.; Hawthorne, F. C.; McCammon, C. A.; Liferovich, R. P.","The crystal structure of gladiusite, (Fe,Mg)4Fe2(PO4)(OH)11(H2O)","The Canadian Mineralogist","2001","39","","1121","1130","10.2113/gscanmin.39.4.1121","","","","","","","","","","","","","","","","","","","","","has coordinates","283866","2023-05-18","12:54:09","" "9004637","8.896","","14.029","","14.339","","96.61","","98.472","","99.802","","1726.03","","","","","","","","","","","","","4","P -1","-P 1","2","","","Uranopilite","- H34 O38 S U6 -","- O38 S U6 -","- O76 S2 U12 -","2","1","","Burns, P. C.","A new uranyl sulfate chain in the structure of uranopilite","The Canadian Mineralogist","2001","39","","1139","1146","10.2113/gscanmin.39.4.1139","","","","","","","","","","","","","","","","","","","","","has coordinates","287555","2023-11-12","10:38:27","" "9004638","9.302","","9.302","","8.26","","90","","90","","120","","618.961","","","","","","","","","","","","","6","P -6 2 c","P -6c -2c","190","","","Grimselite","- C3 H4 K3 Na O12 U -","- C3 H2 K3 Na O12 U -","- C6 H4 K6 Na2 O24 U2 -","2","0.166667","","Li, Y.; Burns, P. C.","The crystal structure of synthetic grimselite, K3Na[(UO2)(CO3)3](H2O)","The Canadian Mineralogist","2001","39","","1147","1151","10.2113/gscanmin.39.4.1147","","","","","","","","","","","","","","","","","","","","","has coordinates","283866","2023-05-18","12:54:09","" "9004639","7.125","","17.937","","18.342","","90","","90","","90","","2344.13","","","","","","","","","","","","","5","C m c m","-C 2c 2","63","","","Haiweeite","- Ca0.5 H13 O10.5 Si2.5 U -","- Ca0.5 H3 O10.5 Si2.5 U -","- Ca4 H24 O84 Si20 U8 -","8","0.5","","Burns, P. C.","A new uranyl silicate sheet in the structure of haiweeite and comparison to other uranyl silicates","The Canadian Mineralogist","2001","39","","1153","1160","10.2113/gscanmin.39.4.1153","","","","","","","","","","","","","","","","","","","","","has coordinates","284046","2023-05-28","13:40:50","" "9004640","5.193","","9.016","","20.114","","90","","95.77","","90","","936.968","","","","","","","","","","","","","11","C 1 2/c 1","-C 2yc","15","","","Muscovite-2M1","- Al2.86 F0.1 Fe0.07 H1.9 K0.94 Li0.03 Mg0.02 Na0.05 O11.9 Rb0.01 Si3.08 -","- Al2.86 F0.1 Fe0.07 H1.9 K0.94 Li0.03 Mg0.02 Na0.05 O11.9 Rb0.01 Si3.08 -","- Al11.44 F0.4 Fe0.28 H7.6 K3.76 Li0.12 Mg0.08 Na0.2 O47.6 Rb0.04 Si12.32 -","4","0.5","","Brigatti, M. F.; Kile, D. E.; Poppi, M.","Crystal structure and crystal chemistry of lithium-bearing muscovite-2M1 Sample: 39","The Canadian Mineralogist","2001","39","","1171","1180","10.2113/gscanmin.39.4.1171","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:51:37","" "9004641","5.197","","9.019","","20.068","","90","","95.71","","90","","935.955","","","","","","","","","","","","","11","C 1 2/c 1","-C 2yc","15","","","Muscovite-2M1","- Al2.672 F0.28 Fe0.13 H1.72 K0.84 Li0.14 Mg0.01 Na0.14 O11.72 Rb0.02 Si3.128 -","- Al2.672 F0.28 Fe0.13 H1.72 K0.84 Li0.14 Mg0.01 Na0.14 O11.72 Rb0.02 Si3.128 -","- Al10.688 F1.12 Fe0.52 H6.88 K3.36 Li0.56 Mg0.04 Na0.56 O46.88 Rb0.08 Si12.512 -","4","0.5","","Brigatti, M. F.; Kile, D. E.; Poppi, M.","Crystal structure and crystal chemistry of lithium-bearing muscovite-2M1 Sample: 2a","The Canadian Mineralogist","2001","39","","1171","1180","10.2113/gscanmin.39.4.1171","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:51:37","" "9004642","5.19","","9.022","","20.057","","90","","95.6","","90","","934.67","","","","","","","","","","","","","11","C 1 2/c 1","-C 2yc","15","","","Muscovite-2M1","- Al2.568 F0.28 Fe0.13 H1.72 K0.84 Li0.13 Mg0.01 Na0.14 O11.72 Rb0.02 Si3.192 -","- Al2.568 F0.28 Fe0.13 H1.72 K0.84 Li0.13 Mg0.01 Na0.14 O11.72 Rb0.02 Si3.192 -","- Al10.272 F1.12 Fe0.52 H6.88 K3.36 Li0.52 Mg0.04 Na0.56 O46.88 Rb0.08 Si12.768 -","4","0.5","","Brigatti, M. F.; Kile, D. E.; Poppi, M.","Crystal structure and crystal chemistry of lithium-bearing muscovite-2M1 O4 B33 is missing a zero Sample: 2b","The Canadian Mineralogist","2001","39","","1171","1180","10.2113/gscanmin.39.4.1171","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:51:37","" "9004643","5.209","","9.038","","19.997","","90","","95.7","","90","","936.783","","","","","","","","","","","","","10","C 1 2/c 1","-C 2yc","15","","","Muscovite-2M1","- Al2.24 F0.42 Fe0.47 H1.58 K0.96 Li0.27 Na0.01 O11.58 Rb0.03 Si3.24 -","- Al2.24 F0.42 Fe0.47 H1.58 K0.96 Li0.27 Na0.01 O11.58 Rb0.03 Si3.24 -","- Al8.96 F1.68 Fe1.88 H6.32 K3.84 Li1.08 Na0.04 O46.32 Rb0.12 Si12.96 -","4","0.5","","Brigatti, M. F.; Kile, D. E.; Poppi, M.","Crystal structure and crystal chemistry of lithium-bearing muscovite-2M1 Sample: 147","The Canadian Mineralogist","2001","39","","1171","1180","10.2113/gscanmin.39.4.1171","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:51:37","" "9004644","5.224","","9.081","","19.952","","90","","95.63","","90","","941.94","","","","","","","","","","","","","11","C 1 2/c 1","-C 2yc","15","","","Muscovite-2M1","- Al2.16 F0.58 Fe0.42 H1.42 K0.97 Li0.38 Mg0.01 Na0.02 O11.42 Rb0.01 Si3.28 -","- Al2.16 F0.58 Fe0.42 H1.42 K0.97 Li0.38 Mg0.01 Na0.02 O11.42 Rb0.01 Si3.28 -","- Al8.64 F2.32 Fe1.68 H5.68 K3.88 Li1.52 Mg0.04 Na0.08 O45.68 Rb0.04 Si13.12 -","4","0.5","","Brigatti, M. F.; Kile, D. E.; Poppi, M.","Crystal structure and crystal chemistry of lithium-bearing muscovite-2M1 Sample: 129","The Canadian Mineralogist","2001","39","","1171","1180","10.2113/gscanmin.39.4.1171","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:51:37","" "9004645","5.3232","","12.2103","","7.0961","","90.002","","89.998","","89.965","","461.231","","","","","","","","","","","","","5","P -1","-P 1","2","","","Nacaphite","- Ca1.96 F2 Na4.04 O8 P2 -","- Ca1.96 F2 Na4.04 O8 P2 -","- Ca3.92 F4 Na8.08 O16 P4 -","2","1","","Sokolova, E. V.; Hawthorne, F. C.","The crystal chemistry of the [M3_11-14] trimeric structures: From hyperagpaitic complexes to saline lakes","The Canadian Mineralogist","2001","39","","1275","1294","10.2113/gscanmin.39.5.1275","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42","" "9004646","5.4206","","7.0846","","20.3641","","86.89","","94.42","","89.94","","778.553","","","","","","","","","","","","","13","P 1","P 1","1","","","Quadruphite","- Ca1.44 F2 Fe0.1 Mg0.5 Mn0.85 Na13.59 Nb0.44 O34 P4 Si4 Sr0.06 Ti2.55 Zr0.47 -","- Ca1.44 F2 Fe0.1 Mg0.5 Mn0.85 Na13.59 Nb0.44 O34 P4 Si4 Sr0.06 Ti2.55 Zr0.47 -","- Ca1.44 F2 Fe0.1 Mg0.5 Mn0.85 Na13.59 Nb0.44 O34 P4 Si4 Sr0.06 Ti2.55 Zr0.47 -","1","1","","Sokolova, E. V.; Hawthorne, F. C.","The crystal chemistry of the [M3_11-14] trimeric structures: From hyperagpaitic complexes to saline lakes","The Canadian Mineralogist","2001","39","","1275","1294","10.2113/gscanmin.39.5.1275","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42","" "9004647","10.515","","16.2534","","9.1029","","90","","105.462","","90","","1499.42","","","","","","","","","","","","Mont Saint-Hilaire, Quebec, Canada","9","C 1 2/m 1","-C 2y","12","","","Natrolemoynite","- Ca0.01 H2.42 K0.05 Na1.44 Nb0.04 O17.56 Si5 Ti0.02 Zr0.94 -","- Ca0.01 H9.12 K0.05 Na1.44 Nb0.04 O17.56 Si5 Ti0.02 Zr0.94 -","- Ca0.04 H36.48 K0.2 Na5.76 Nb0.16 O70.24 Si20 Ti0.08 Zr3.76 -","4","0.5","","McDonald, A. M.; Chao, G. Y.","Natrolemoynite, a new hydrated sodiium zirconosilicate from Mont Saint-Hilaire, Quebec: Description and structure determination Locality: Mont Saint-Hilaire, Quebec, Canada","The Canadian Mineralogist","2001","39","","1295","1306","10.2113/gscanmin.39.5.1295","","","","","","","","","","","","","","","","","","","","","has coordinates","283866","2023-05-18","12:54:09","" "9004648","5.327","","6.856","","21.51","","90","","93.8","","90","","783.859","","","","","","","","","","","","","6","A 1 2/m 1","-A 2y","12","","","Delindeite","- Ba2 H8 Na1.6 O19.92 Si4 Ti3 -","- Ba2 H3.84 Na1.6 O19.92 Si4 Ti3 -","- Ba4 H7.68 Na3.2 O39.84 Si8 Ti6 -","2","0.25","","Ferraris, G.; Ivaldi, G.; Pushcharovsky, D. Y.; Zubkova, N. V.; Pekov, I. V.","The crystal structure of delindeite, Ba2{(Na,K,_)3(Ti,Fe)[Ti2(O,OH)4Si4O14](H2O,OH)2}, a member of the mero-plesiotype bafertisite series","The Canadian Mineralogist","2001","39","","1307","1316","10.2113/gscanmin.39.5.1307","","","","","","","","","","","","","","","","","","","","","has coordinates","284046","2023-05-28","13:40:50","" "9004649","10.085","","13.39","","4.6713","","90","","104.96","","90","","609.423","","","","","","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","Baricite","- Fe1.3 H16 Mg1.7 O16 P2 -","- Fe1.3 H16 Mg1.7 O16 P2 -","- Fe2.6 H32 Mg3.4 O32 P4 -","2","0.25","","Yakubovich, O. V.; Massa, W.; Liferovich, R. P.; McCammon, C. A.","The crystal structure of baricite, (Mg1.70Fe1.30)(PO4)2.8H2O","The Canadian Mineralogist","2001","39","","1317","1324","10.2113/gscanmin.39.5.1317","","","","","","","","","","","","","","","","","","","","","has coordinates","283960","2023-05-23","08:42:07","" "9004650","7.242","","9.319","","6.192","","90","","90","","90","","417.887","","","","","","","","","","","","Temple Mountain, Emery county, Utah, USA","4","P m n 21","P 2ac -2","31","","","Orthominasragrite","- H10 O10 S V -","- H10 O10 S V -","- H20 O20 S2 V2 -","2","0.5","","Hawthorne, F. C.; Schindler, M.; Grice, J. D.; Haynes, P.","Orthominasragrite, VO(SO4)(H2O)5, a new mineral species from Temple Mountain, Emery county, Utah, U.S.A.","The Canadian Mineralogist","2001","39","","1325","1331","10.2113/gscanmin.39.5.1325","","","","","","","","","","","","","","","","","","","","","has coordinates","283850","2023-05-18","07:16:44","" "9004651","5.33","","9.239","","10.305","","90","","99.89","","90","","499.917","","","","","","","","","","","","Alto Paranaiba Igneous Province, Southeastern Brazil","10","C 1 2/m 1","-C 2y","12","","","Phlogopite","- Al1.04 F0.12 Fe0.37 H1.88 K0.98 Mg2.73 Na0.01 O11.88 Si2.8 Ti0.06 -","- Al1.04 F0.12 Fe0.37 H1.88 K0.98 Mg2.73 Na0.01 O11.88 Si2.8 Ti0.06 -","- Al2.08 F0.24 Fe0.74 H3.76 K1.96 Mg5.46 Na0.02 O23.76 Si5.6 Ti0.12 -","2","0.25","","Brigatti, M. F.; Medici, L.; Poppi, L.; Vaccaro, C.","Crystal chemistry of trioctahedral micas - 1M from the Alto Paranaiba Igneous Province, Southeastern Brazil Sample: Tpp16-6a","The Canadian Mineralogist","2001","39","","1333","1345","10.2113/gscanmin.39.5.1333","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:51:37","" "9004652","5.351","","9.267","","10.311","","90","","99.99","","90","","503.547","","","","","","","","","","","","Alto Paranaiba Igneous Province, Southeastern Brazil","10","C 1 2/m 1","-C 2y","12","","","Phlogopite","- Al0.8 F0.04 Fe0.72 H1.96 K0.95 Mg2.43 Na0.03 O11.96 Si2.96 Ti0.09 -","- Al0.8 F0.04 Fe0.72 H1.96 K0.95 Mg2.43 Na0.03 O11.96 Si2.96 Ti0.09 -","- Al1.6 F0.08 Fe1.44 H3.92 K1.9 Mg4.86 Na0.06 O23.92 Si5.92 Ti0.18 -","2","0.25","","Brigatti, M. F.; Medici, L.; Poppi, L.; Vaccaro, C.","Crystal chemistry of trioctahedral micas - 1M from the Alto Paranaiba Igneous Province, Southeastern Brazil Sample: Tax27-1, ferroan","The Canadian Mineralogist","2001","39","","1333","1345","10.2113/gscanmin.39.5.1333","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:51:37","" "9004653","5.329","","9.244","","10.271","","90","","99.97","","90","","498.322","","","","","","","","","","","","Alto Paranaiba Igneous Province, Southeastern Brazil","10","C 1 2/m 1","-C 2y","12","","","Phlogopite","- Al1.12 F0.04 Fe0.7 H1.84 K0.98 Mg2.25 Na0.02 O11.96 Si2.84 Ti0.09 -","- Al1.12 F0.04 Fe0.7 H1.84 K0.98 Mg2.25 Na0.02 O11.96 Si2.84 Ti0.09 -","- Al2.24 F0.08 Fe1.4 H3.68 K1.96 Mg4.5 Na0.04 O23.92 Si5.68 Ti0.18 -","2","0.25","","Brigatti, M. F.; Medici, L.; Poppi, L.; Vaccaro, C.","Crystal chemistry of trioctahedral micas - 1M from the Alto Paranaiba Igneous Province, Southeastern Brazil Sample: Taa11-1A, ferroan T-O3 given as 1.663, but I compute 1.647","The Canadian Mineralogist","2001","39","","1333","1345","10.2113/gscanmin.39.5.1333","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:51:37","" "9004654","5.3355","","9.2457","","10.294","","90","","99.94","","90","","500.185","","","","","","","","","","","","Alto Paranaiba Igneous Province, Southeastern Brazil","10","C 1 2/m 1","-C 2y","12","","","Phlogopite","- Al1.12 Ba0.01 Fe0.62 H1.88 K0.98 Mg2.37 Na0.02 O12 Si2.8 Ti0.09 -","- Al1.12 Ba0.01 Fe0.62 H1.88 K0.98 Mg2.37 Na0.02 O12 Si2.8 Ti0.09 -","- Al2.24 Ba0.02 Fe1.24 H3.76 K1.96 Mg4.74 Na0.04 O24 Si5.6 Ti0.18 -","2","0.25","","Brigatti, M. F.; Medici, L.; Poppi, L.; Vaccaro, C.","Crystal chemistry of trioctahedral micas - 1M from the Alto Paranaiba Igneous Province, Southeastern Brazil Sample: Tai17-1, ferroan","The Canadian Mineralogist","2001","39","","1333","1345","10.2113/gscanmin.39.5.1333","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:51:37","" "9004655","5.344","","9.259","","10.28","","90","","100.01","","90","","500.912","","","","","","","","","","","","Alto Paranaiba Igneous Province, Southeastern Brazil","11","C 1 2/m 1","-C 2y","12","","","Phlogopite","- Al0.92 Ba0.02 F0.02 Fe1.22 H1.82 K0.98 Mg1.74 Mn0.03 O11.98 Si3 Ti0.09 -","- Al0.92 Ba0.02 F0.02 Fe1.22 H1.82 K0.98 Mg1.74 Mn0.03 O11.98 Si3 Ti0.09 -","- Al1.84 Ba0.04 F0.04 Fe2.44 H3.64 K1.96 Mg3.48 Mn0.06 O23.96 Si6 Ti0.18 -","2","0.25","","Brigatti, M. F.; Medici, L.; Poppi, L.; Vaccaro, C.","Crystal chemistry of trioctahedral micas - 1M from the Alto Paranaiba Igneous Province, Southeastern Brazil Sample: Ta9, ferroan","The Canadian Mineralogist","2001","39","","1333","1345","10.2113/gscanmin.39.5.1333","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:51:37","" "9004656","5.331","","9.227","","10.275","","90","","99.96","","90","","497.801","","","","","","","","","","","","Alto Paranaiba Igneous Province, Southeastern Brazil","10","C 1 2/m 1","-C 2y","12","","","Phlogopite","- Al0.92 F0.18 Fe0.53 H1.72 K0.95 Mg2.52 Na0.04 O11.82 Si3 Ti0.03 -","- Al0.92 F0.18 Fe0.53 H1.72 K0.95 Mg2.52 Na0.04 O11.82 Si3 Ti0.03 -","- Al1.84 F0.36 Fe1.06 H3.44 K1.9 Mg5.04 Na0.08 O23.64 Si6 Ti0.06 -","2","0.25","","Brigatti, M. F.; Medici, L.; Poppi, L.; Vaccaro, C.","Crystal chemistry of trioctahedral micas - 1M from the Alto Paranaiba Igneous Province, Southeastern Brazil Sample: Li12a, ferroan","The Canadian Mineralogist","2001","39","","1333","1345","10.2113/gscanmin.39.5.1333","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:51:37","" "9004657","5.36","","9.293","","10.314","","90","","100.01","","90","","505.925","","","","","","","","","","","","Alto Paranaiba Igneous Province, Southeastern Brazil","8","C 1 2/m 1","-C 2y","12","","","Phlogopite","- Al0.08 F0.02 Fe1.51 H1.9 K Mg2.37 O11.98 Si3.04 -","- Al0.08 F0.02 Fe1.51 H1.9 K Mg2.37 O11.98 Si3.04 -","- Al0.16 F0.04 Fe3.02 H3.8 K2 Mg4.74 O23.96 Si6.08 -","2","0.25","","Brigatti, M. F.; Medici, L.; Poppi, L.; Vaccaro, C.","Crystal chemistry of trioctahedral micas - 1M from the Alto Paranaiba Igneous Province, Southeastern Brazil Sample: Tpp16-6b, ferroan tetra-ferriphlogopite","The Canadian Mineralogist","2001","39","","1333","1345","10.2113/gscanmin.39.5.1333","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:51:37","" "9004658","5.3637","","9.2908","","10.321","","90","","99.995","","90","","506.521","","","","","","","","","","","","Alto Paranaiba Igneous Province, Southeastern Brazil","10","C 1 2/m 1","-C 2y","12","","","Phlogopite","- Al0.04 Ca0.03 F0.04 Fe1.52 H1.92 K0.97 Mg2.37 O11.96 Si3.04 Ti0.03 -","- Al0.04 Ca0.03 F0.04 Fe1.52 H1.92 K0.97 Mg2.37 O11.96 Si3.04 Ti0.03 -","- Al0.08 Ca0.06 F0.08 Fe3.04 H3.84 K1.94 Mg4.74 O23.92 Si6.08 Ti0.06 -","2","0.25","","Brigatti, M. F.; Medici, L.; Poppi, L.; Vaccaro, C.","Crystal chemistry of trioctahedral micas - 1M from the Alto Paranaiba Igneous Province, Southeastern Brazil Sample: Tpp16-6c, ferroan tetra-ferriphlogopite","The Canadian Mineralogist","2001","39","","1333","1345","10.2113/gscanmin.39.5.1333","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:51:37","" "9004659","5.317","","9.208","","10.118","","90","","100.15","","90","","487.614","","","","","","","","","","","","Alto Paranaiba Igneous Province, Southeastern Brazil","11","C 1 2/m 1","-C 2y","12","","","Phlogopite","- Al1.04 Ba0.01 F0.92 Fe2.14 H0.86 K0.97 Mg2.74 Na0.02 O11.08 Si2.96 Ti2.11 -","- Al1.04 Ba0.01 F0.92 Fe2.14 H0.86 K0.97 Mg2.74 Na0.02 O11.08 Si2.96 Ti2.11 -","- Al2.08 Ba0.02 F1.84 Fe4.28 H1.72 K1.94 Mg5.48 Na0.04 O22.16 Si5.92 Ti4.22 -","2","0.25","","Brigatti, M. F.; Medici, L.; Poppi, L.; Vaccaro, C.","Crystal chemistry of trioctahedral micas - 1M from the Alto Paranaiba Igneous Province, Southeastern Brazil Sample: Ma1, titanian","The Canadian Mineralogist","2001","39","","1333","1345","10.2113/gscanmin.39.5.1333","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:51:37","" "9004660","37.527","","4.0705","","43.701","","90","","108.801","","90","","6319.31","","","","","","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","Neyite","- Ag2.074 Bi26.38 Cu6 Pb24.54 S68 -","- Ag2.074 Bi26.38 Cu6 Pb24.54 S68 -","- Ag4.148 Bi52.76 Cu12 Pb49.08 S136 -","2","0.25","","Makovicky, E.; Balic-Zunic T; Topa, D.","The crystal structure of neyite, Ag2Cu6Pb25Bi26S68","The Canadian Mineralogist","2001","39","","1365","1376","10.2113/gscanmin.39.5.1365","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42","" "9004661","4.007","","55.998","","11.512","","90","","90","","90","","2583.11","","","","","","","","","","","","","4","P m c n","-P 2n 2a","62","","","Paarite","- Bi8 Cu2 Pb2 S15 -","- Bi8 Cu2 Pb2 S15 -","- Bi32 Cu8 Pb8 S60 -","4","0.5","","Makovicky, E.; Topa, D.; Balic-Zunic T","The crystal structure of paarite, the newly discovered 56 A derivative of the bismuthinite-aikinite solid-solution series","The Canadian Mineralogist","2001","39","","1377","1382","10.2113/gscanmin.39.5.1377","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42","" "9004662","13.511","","4.085","","20.649","","90","","92.15","","90","","1138.87","","","","","","","","","","","","Mittal-Hohtenn, Valais, Switzerland","3","C 1 2/m 1","-C 2y","12","","","Xilingolite","- Bi0.995 Pb1.505 S3 -","- Bi0.995 Pb1.505 S3 -","- Bi7.96 Pb12.04 S24 -","8","1","","Berlepsch, P.; Armbruster, T.; Makovicky, E.; Hejny, C.; Topa, D.; Graeser, S.","The crystal structure of (001) twinned xilingolite, Pb3Bi2S6, from Mittal-Hohtenn, Valais, Switzerland","The Canadian Mineralogist","2001","39","","1653","1663","10.2113/gscanmin.39.6.1653","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42","" "9004663","5.498","","7.12","","47.95","","90","","90","","88.4","","1876.31","","","","","","","","","","","","","8","I 1 1 b","I -2b","9","","","Bornemanite","- Ba Mn0.5 Na5.5 Nb0.7 O22 P Si4 Ti2.3 -","- Ba Mn0.5 Na5.5 Nb0.7 O22 P Si4 Ti2.3 -","- Ba4 Mn2 Na22 Nb2.8 O88 P4 Si16 Ti9.2 -","4","1","","Ferraris, G.; Belluso, E.; Gula, A.; Soboleva, S. V.; Ageeva, O. A.; Borutskii, B. E.","A structure model of the layer titanosilicate bornemanite based on seidozerite and lomonosovite modules","The Canadian Mineralogist","2001","39","","1665","1673","10.2113/gscanmin.39.6.1665","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42","" "9004664","5.9889","","5.9889","","9.353","","90","","90","","120","","290.52","","","","","","","","","","","","Garpenberg Norra mine, Dalarna, Sweden","7","P 63 m c","P 6c -2c","186","","","Rinmanite","- Fe1.77 H Mg1.26 Mn0.16 O8 Sb Zn0.81 -","- Fe1.77 H Mg1.26 Mn0.16 O8 Sb Zn0.81 -","- Fe3.54 H2 Mg2.52 Mn0.32 O16 Sb2 Zn1.62 -","2","0.166667","","Holtstam, D.; Gatedal, K.; Soderberg, K.; Norrestam, R.","Rinmanite, Zn2Sb2Mg2Fe4O14(OH)2, a new mineral species with a nolanite-type structure from the Garpenberg Norra mine, Dalarna, Sweden","The Canadian Mineralogist","2001","39","","1675","1683","10.2113/gscanmin.39.6.1675","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42","" "9004665","38.954","","7.201","","16.3465","","90","","97.602","","90","","4545.02","","","","","","","","","","","","Firefly-Pigmay mine, Utah, USA","4","C 1 2/c 1","-C 2yc","15","","","Dickthomssenite","- H14 Mg O13 V2 -","- H14 Mg O13 V2 -","- H224 Mg16 O208 V32 -","16","2","","Hughes, J. M.; Cureton, F. E.; Marty, J.; Gault, R. A.; Gunter, M. E.; Campana, C. F.; Rakovan, J. F.; Sommer, A. J.; Brueseke, M. E.","Dickthomssenite, Mg(V2O6).7H2O, a new mineral species from the Firefly-Pigmay mine, Utah: Descriptive mineralogy and arrangement of atoms Locality: Firefly-Pigmay mine, Utah, USA","The Canadian Mineralogist","2001","39","","1691","1700","10.2113/gscanmin.39.6.1691","","","","","","","","","","","","","","","","","","","","","has coordinates","283850","2023-05-18","07:16:44","" "9004666","9.8814","","17.967","","5.2927","","90","","105.263","","90","","906.517","","","","","","","","","","","","Baffin Island, Nunavut, Canada","10","C 1 2/m 1","-C 2y","12","","","Pargasite","- Al1.47 Ca1.82 Fe0.08 H2 K0.48 Mg4.15 Na1.64 O24 Si7.24 Ti0.06 -","- Al1.47 Ca1.82 Fe0.08 H2 K0.48 Mg4.15 Na1.64 O24 Si7.24 Ti0.06 -","- Al2.94 Ca3.64 Fe0.16 H4 K0.96 Mg8.3 Na3.28 O48 Si14.48 Ti0.12 -","2","0.25","","Tait, K. T.; Hawthorne, F. C.; Della Ventura, G.","Al-Mg disorder in a gem-quality pargasite from Baffin Island, Nunavut, Canada","The Canadian Mineralogist","2001","39","","1725","1732","10.2113/gscanmin.39.6.1725","","","","","","","","","","","","","","","","","","","","","has coordinates","283960","2023-05-23","08:42:07","" "9005464","7.754","","7.754","","5.101","","90","","90","","90","","306.695","","","","","","","","","","","","nephelinite lava of Mt. Etinde, Cameroon","11","P -4 21 m","P -4 2ab","113","","","Melilite","- Al0.47 Ca0.84 Fe0.29 Mg0.19 Mn0.03 Na0.71 O7 Si1.99 Sr0.45 Ti0.01 Zn0.02 -","- Al0.47 Ca0.84 Fe0.29 Mg0.19 Mn0.03 Na0.71 O7 Si1.99 Sr0.45 Ti0.01 Zn0.02 -","- Al0.94 Ca1.68 Fe0.58 Mg0.38 Mn0.06 Na1.42 O14 Si3.98 Sr0.9 Ti0.02 Zn0.04 -","2","0.25","","Bindi, L.; Bonazzi, P.; Fitton, J. G.","Crystal chemistry of strontian soda melilite from nephelinite lava of Mt. Etinde, Cameroon Sample: ET1","European Journal of Mineralogy","2001","13","","121","125","10.1127/0935-1221/01/0013-0121","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42","" "9005465","7.764","","7.764","","5.095","","90","","90","","90","","307.125","","","","","","","","","","","","nephelinite lava of Mt. Etinde, Cameroon","11","P -4 21 m","P -4 2ab","113","","","Melilite","- Al0.46 Ca0.83 Fe0.29 Mg0.2 Mn0.03 Na0.72 O7 Si1.99 Sr0.45 Ti0.02 Zn0.01 -","- Al0.46 Ca0.83 Fe0.29 Mg0.2 Mn0.03 Na0.72 O7 Si1.99 Sr0.45 Ti0.02 Zn0.01 -","- Al0.92 Ca1.66 Fe0.58 Mg0.4 Mn0.06 Na1.44 O14 Si3.98 Sr0.9 Ti0.04 Zn0.02 -","2","0.25","","Bindi, L.; Bonazzi, P.; Fitton, J. G.","Crystal chemistry of strontian soda melilite from nephelinite lave of Mt. Etinde, Cameroon Sample: ET2","European Journal of Mineralogy","2001","13","","121","125","10.1127/0935-1221/01/0013-0121","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42","" "9005466","9.2953","","6.2894","","7.6906","","90","","118.068","","90","","396.728","","","","","","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","Krettnichite","- H2 Mn2 O10 Pb0.83 Sr0.17 V2 -","- H2 Mn2 O10 Pb0.83 Sr0.17 V2 -","- H4 Mn4 O20 Pb1.66 Sr0.34 V4 -","2","0.25","","Brugger, J.; Armbruster, T.; Criddle, A. J.; Berlepsch, P.; Graeser, S.; Reeves, S.","Description, crystal structure, and paragenesis of krettnichite, PbMn2(VO4)2(OH)2, the Mn3+ analogue of mounanaite","European Journal of Mineralogy","2001","13","","145","158","10.1127/0935-1221/01/0013-0145","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:53:12","" "9005467","6.219","","6.219","","5.487","","90","","90","","90","","212.215","","","","","","","","","","","","","4","I 41/a m d :1","I 4bw 2bw -1bw","141","","","Schiavinatoite","- B Nb0.52 O4 Ta0.48 -","- B Nb0.52 O4 Ta0.48 -","- B4 Nb2.08 O16 Ta1.92 -","4","0.125","","Demartin, F.; Diella, V.; Gramaccioli, C. M.; Pezzotta, F.","Schiavinatoite, (Nb,Ta)BO4, the Nb analogue of behierite","European Journal of Mineralogy","2001","13","","159","165","10.1127/0935-1221/01/0013-0159","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42","" "9005468","6.7127","","6.8293","","5.2345","","107.625","","95.409","","111.158","","207.616","","","","","","","","","","","","Johanngeorgenstadt, Saxony, Germany","4","P -1","-P 1","2","","","Paganoite","- As Bi Ni O5 -","- As Bi Ni O5 -","- As2 Bi2 Ni2 O10 -","2","1","","Roberts, A. C.; Burns, P. C.; Gault, R. A.; Criddle, A. J.; Feinglos, M. N.; Stirling, J. A. R.","Paganoite, NiBiAsO5, a new mineral from Johanngeorgenstadt, Saxony, Germany: description and crystal structure","European Journal of Mineralogy","2001","13","","167","175","10.1127/0935-1221/01/0013-0167","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42","" "9005469","4.264","","4.264","","23.25","","90","","90","","120","","366.09","","","","","","","","","","","","","4","P -3 m 1","-P 3 2""","164","","","Telluronevskite","- Bi2.94 S0.32 Se1.73 Te1.01 -","- Bi2.94 S0.32 Se1.73 Te1.01 -","- Bi5.88 S0.64 Se3.46 Te2.02 -","2","0.166667","","Ridkosil, T.; Skala, R.; Johan, Z.; Srein, V.","Telluronevskite, Bi3TeSe2, a new mineral","European Journal of Mineralogy","2001","13","","177","185","10.1127/0935-1221/01/0013-0177","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42","" "9005470","5.25","","11.647","","9.655","","90","","95.94","","90","","587.202","","","","","","","","","","","","Modum, Norway","4","P 1 21/n 1","-P 2yn","14","","","Raadeite","- H8 Mg7 O16 P2 -","- H8 Mg7 O16 P2 -","- H16 Mg14 O32 P4 -","2","0.5","","Chopin, C.; Ferraris, G.; Prencipe, M.; Brunet, F.; Medenbach, O.","Raadeite, Mg7(PO4)2(OH)8: a new dense-packed phosphate from Modum (Norway)","European Journal of Mineralogy","2001","13","","319","327","10.1127/0935-1221/01/0013-0319","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42","" "9005471","5.192","","9.011","","20.028","","90","","95.74","","90","","932.314","","","","","","","","","","","","Westland","12","C 1 2/c 1","-C 2yc","15","","","Muscovite","- Al2.748 Ba0.044 Cl0.005 Cr0.062 Fe0.039 H1.829 K0.857 Mg0.081 Na0.103 O11.995 Si3.11 Ti0.003 -","- Al2.748 Ba0.044 Cl0.005 Cr0.062 Fe0.0391 H1.829 K0.857 Mg0.0809 Na0.103 O11.995 Si3.11 Ti0.0029 -","- Al10.992 Ba0.176 Cl0.02 Cr0.248 Fe0.1564 H7.316 K3.428 Mg0.3236 Na0.412 O47.98 Si12.44 Ti0.0116 -","4","0.5","","Brigatti, M. F.; Galli, E.; Medici, L.; Poppi, L.; Cibin, G.; Marcelli, A.; Mottana, A.","Chromium-containing muscovite: crystal chemistry and XANES spectroscopy","European Journal of Mineralogy","2001","13","","377","389","10.1127/0935-1221/01/0013-0377","","","","","","","","","","","","","","","","","","","","","has coordinates","283911","2023-05-21","08:37:45","" "9005472","5.175","","8.979","","19.915","","90","","95.66","","90","","920.865","","","","","","","","","","","","Northwest Nelson - Campbell Creek","12","C 1 2/c 1","-C 2yc","15","","","Muscovite","- Al2.774 Ca0.004 Cr0.099 F0.031 Fe0.021 H1.92 K0.725 Mg0.02 Na0.268 O11.969 Si3.069 Ti0.019 -","- Al2.7738 Ca0.004 Cr0.099 F0.031 Fe0.021 H1.92 K0.725 Mg0.02 Na0.268 O11.969 Si3.0692 Ti0.019 -","- Al11.0952 Ca0.016 Cr0.396 F0.124 Fe0.084 H7.68 K2.9 Mg0.08 Na1.072 O47.876 Si12.2768 Ti0.076 -","4","0.5","","Brigatti, M. F.; Galli, E.; Medici, L.; Poppi, L.; Cibin, G.; Marcelli, A.; Mottana, A.","Chromium-containing muscovite: crystal chemistry and XANES spectroscopy","European Journal of Mineralogy","2001","13","","377","389","10.1127/0935-1221/01/0013-0377","","","","","","","","","","","","","","","","","","","","","has coordinates","283911","2023-05-21","08:37:45","" "9005473","5.206","","9.04","","20.058","","90","","95.79","","90","","939.159","","","","","","","","","","","","Northwest Nelson - Anatoki River","13","C 1 2/c 1","-C 2yc","15","","","Muscovite","- Al2.691 Ba0.012 Cl0.001 Cr0.108 F0.041 Fe0.102 H1.456 K0.959 Mg0.11 Na0.029 O11.958 Si3.135 Ti0.033 -","- Al2.6908 Ba0.012 Cl0.001 Cr0.108 F0.041 Fe0.102 H1.456 K0.959 Mg0.11 Mn0.0009 Na0.029 O11.958 Si3.1352 Ti0.0331 -","- Al10.7632 Ba0.048 Cl0.004 Cr0.432 F0.164 Fe0.408 H5.824 K3.836 Mg0.44 Mn0.0036 Na0.116 O47.832 Si12.5408 Ti0.1324 -","4","0.5","","Brigatti, M. F.; Galli, E.; Medici, L.; Poppi, L.; Cibin, G.; Marcelli, A.; Mottana, A.","Chromium-containing muscovite: crystal chemistry and XANES spectroscopy","European Journal of Mineralogy","2001","13","","377","389","10.1127/0935-1221/01/0013-0377","","","","","","","","","","","","","","","","","","","","","has coordinates","283911","2023-05-21","08:37:45","" "9005474","8.0855","","8.0855","","8.0855","","90","","90","","90","","528.592","","","","","","","","","","","","","3","F d -3 m :2","-F 4vw 2vw 3","227","","","Spinel","- Al2 Mg O4 -","- Al2 Mg O4 -","- Al16 Mg8 O32 -","8","0.0416667","","Andreozzi, G. B.; Lucchesi, S.; Skogby, H.; Della Giusta, A.","Compositional dependence of cation distribution in some synthetic (Mg,Zn)(Al,Fe)2O4 spinels Sample: Sp3/10a","European Journal of Mineralogy","2001","13","","391","402","10.1127/0935-1221/01/0013-0391","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42","" "9005475","8.087","","8.087","","8.087","","90","","90","","90","","528.886","","","","","","","","","","","","","4","F d -3 m :2","-F 4vw 2vw 3","227","","","Gahnite","- Al1.998 Mg0.355 O4 Zn0.647 -","- Al1.998 Mg0.355 O4 Zn0.647 -","- Al15.984 Mg2.84 O32 Zn5.176 -","8","0.0416667","","Andreozzi, G. B.; Lucchesi, S.; Skogby, H.; Della Giusta, A.","Compositional dependence of cation distribution in some synthetic (Mg,Zn)(Al,Fe)2O4 spinels Sample: Gah1a/a","European Journal of Mineralogy","2001","13","","391","402","10.1127/0935-1221/01/0013-0391","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42","" "9005476","8.1174","","8.1174","","8.1174","","90","","90","","90","","534.873","","","","","","","","","","","","","4","F d -3 m :2","-F 4vw 2vw 3","227","","","Spinel","- Al1.788 Fe0.202 Mg O4 -","- Al1.788 Fe0.202 Mg O4 -","- Al14.304 Fe1.616 Mg8 O32 -","8","0.0416667","","Andreozzi, G. B.; Lucchesi, S.; Skogby, H.; Della Giusta, A.","Compositional dependence of cation distribution in some synthetic (Mg,Zn)(Al,Fe)2O4 spinels Sample: MgF1a/6a","European Journal of Mineralogy","2001","13","","391","402","10.1127/0935-1221/01/0013-0391","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42","" "9005477","8.1242","","8.1242","","8.1242","","90","","90","","90","","536.219","","","","","","","","","","","","","5","F d -3 m :2","-F 4vw 2vw 3","227","","","Spinel","- Al1.763 Fe0.238 Mg0.851 O4 Zn0.148 -","- Al1.763 Fe0.238 Mg0.851 O4 Zn0.148 -","- Al14.104 Fe1.904 Mg6.808 O32 Zn1.184 -","8","0.0416667","","Andreozzi, G. B.; Lucchesi, S.; Skogby, H.; Della Giusta, A.","Compositional dependence of cation distribution in some synthetic (Mg,Zn)(Al,Fe)2O4 spinels Sample: Frk1a/d","European Journal of Mineralogy","2001","13","","391","402","10.1127/0935-1221/01/0013-0391","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42","" "9005478","8.758","","8.112","","15.311","","90","","90.21","","90","","1087.76","","","","","","","","","","","","Synthetic","4","P 1 21/n 1","-P 2yn","14","","","Krotite","- Al1.817 Ca Fe0.183 O4 -","- Al1.81667 Ca Fe0.183333 O4 -","- Al21.8 Ca12 Fe2.2 O48 -","12","3","","Kahlenberg, V.","On the Al/Fe substitution in iron doped monocalcium aluminate - the crystal structure of CaAl1.8Fe0.2O4","European Journal of Mineralogy","2001","13","","403","410","10.1127/0935-1221/01/0013-0403","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42","" "9005479","17.729","","17.909","","7.433","","90","","116.52","","90","","2111.72","","","","","","","","100","","","","","9","C 1 2/m 1","-C 2y","12","","","Heulandite-Ca","- Al4.46 Ba0.015 Ca1.325 H26 K0.2 Na0.86 O49 Si13.54 Sr0.435 -","- Al4.46 Ba0.015 Ca1.325 H26 K0.2 Na0.86 O49 Si13.54 Sr0.435 -","- Al8.92 Ba0.03 Ca2.65 H52 K0.4 Na1.72 O98 Si27.08 Sr0.87 -","2","0.25","","Comodi, P.; Gatta, G. D.; Zanazzi, P. F.","High-pressure structural behaviour of heulandite Sample: P = .0001 GPa","European Journal of Mineralogy","2001","13","","497","505","10.1127/0935-1221/2001/0013-0497","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:53:15","" "9005480","17.481","","17.625","","7.345","","90","","116.73","","90","","2021.18","","","","","","","","1450000","","","","","9","C 1 2/m 1","-C 2y","12","","","Heulandite-Ca","- Al4.46 Ba0.015 Ca1.325 H26 K0.2 Na0.86 O49 Si13.54 Sr0.435 -","- Al4.46 Ba0.015 Ca1.325 H26 K0.2 Na0.86 O49 Si13.54 Sr0.435 -","- Al8.92 Ba0.03 Ca2.65 H52 K0.4 Na1.72 O98 Si27.08 Sr0.87 -","2","0.25","","Comodi, P.; Gatta, G. D.; Zanazzi, P. F.","High-pressure structural behaviour of heulandite Sample: P = 1.45 GPa","European Journal of Mineralogy","2001","13","","497","505","10.1127/0935-1221/2001/0013-0497","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:53:26","" "9005481","17.124","","17.376","","7.237","","90","","116.93","","90","","1919.84","","","","","","","","3400000","","","","","9","C 1 2/m 1","-C 2y","12","","","Heulandite-Ca","- Al4.46 Ba0.015 Ca1.325 H26 K0.2 Na0.86 O49 Si13.54 Sr0.435 -","- Al4.46 Ba0.015 Ca1.325 H26 K0.2 Na0.86 O49 Si13.54 Sr0.435 -","- Al8.92 Ba0.03 Ca2.65 H52 K0.4 Na1.72 O98 Si27.08 Sr0.87 -","2","0.25","","Comodi, P.; Gatta, G. D.; Zanazzi, P. F.","High-pressure structural behaviour of heulandite Sample: P = 3.4 GPa","European Journal of Mineralogy","2001","13","","497","505","10.1127/0935-1221/2001/0013-0497","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:53:28","" "9005482","17.774","","17.824","","7.438","","90","","116.38","","90","","2111.01","","","","","","","","100","","","","","9","C 1 2/m 1","-C 2y","12","","","Heulandite-Ca","- Al4.46 Ba0.015 Ca1.325 H26 K0.2 Na0.86 O49 Si13.54 Sr0.435 -","- Al4.46 Ba0.015 Ca1.325 H26 K0.2 Na0.86 O49 Si13.54 Sr0.435 -","- Al8.92 Ba0.03 Ca2.65 H52 K0.4 Na1.72 O98 Si27.08 Sr0.87 -","2","0.25","","Comodi, P.; Gatta, G. D.; Zanazzi, P. F.","High-pressure structural behaviour of heulandite Sample: P = .0001 GPa (after compression)","European Journal of Mineralogy","2001","13","","497","505","10.1127/0935-1221/2001/0013-0497","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:53:31","" "9005483","13.716","","20.084","","5.11","","90","","90","","90","","1407.66","","","","","","","","","","","","Monte Argentario","8","C c c a :2","-C 2a 2ac","68","","","Magnesiocarpholite","- Al3.94 F0.304 Fe0.7 H7.896 K0.004 Mg1.3 O19.896 Si4 -","- Al3.94 F0.304 Fe0.7 H7.896 K0.004 Mg1.3 O19.896 Si4 -","- Al15.76 F1.216 Fe2.8 H31.584 K0.016 Mg5.2 O79.584 Si16 -","4","0.25","","Fuchs, Y.; Mellini, M.; Memmi, I.","Crystal-chemistry of magnesiocarpholite: controversial X-ray diffraction, Mossbauer, FTIR and Raman results","European Journal of Mineralogy","2001","13","","533","543","10.1127/0935-1221/2001/0013-0533","","","","","","","","","","","","","","","","","","","","","has coordinates","283850","2023-05-18","07:16:44","" "9005484","13.726","","20.099","","5.112","","90","","90","","90","","1410.29","","","","","","","","","","","","Monte Leoni","8","C c c a :2","-C 2a 2ac","68","","","Magnesiocarpholite","- Al3.96 F0.24 Fe0.7 H7.92 K0.004 Mg1.3 O19.92 Si4 -","- Al3.96 F0.24 Fe0.7 H7.92 K0.004 Mg1.3 O19.92 Si4 -","- Al15.84 F0.96 Fe2.8 H31.68 K0.016 Mg5.2 O79.68 Si16 -","4","0.25","","Fuchs, Y.; Mellini, M.; Memmi, I.","Crystal-chemistry of magnesiocarpholite: controversial X-ray diffraction, Mossbauer, FTIR and Raman results","European Journal of Mineralogy","2001","13","","533","543","10.1127/0935-1221/2001/0013-0533","","","","","","","","","","","","","","","","","","","","","has coordinates","283850","2023-05-18","07:16:44","" "9005485","5.2173","","9.0493","","19.989","","90","","95.734","","90","","939.017","","","","293.15","","","","","","","","","9","C 1 2/c 1","-C 2yc","15","","","Phengite","- Al2.28 F0.04 Fe0.28 H1.96 K0.475 Mg0.2 Na0.025 O11.96 Si3.24 -","- Al2.28 F0.04 Fe0.28 H1.96 K0.475 Mg0.2 Na0.025 O11.96 Si3.24 -","- Al9.12 F0.16 Fe1.12 H7.84 K1.9 Mg0.8 Na0.1 O47.84 Si12.96 -","4","0.5","","Mookherjee, M.; Redfern, S. A. T.; Zhang, M.","Thermal response of structure and hydroxyl ion of phengite-2M_1: an in situ neutron diffraction and FTIR study Sample: T = 20 degrees C","European Journal of Mineralogy","2001","13","","545","555","10.1127/0935-1221/2001/0013-0545","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42","" "9005486","5.2196","","9.055","","20.01","","90","","95.746","","90","","940.99","","","","373.15","","","","","","","","","9","C 1 2/c 1","-C 2yc","15","","","Phengite","- Al2.28 F0.04 Fe0.28 H1.96 K0.475 Mg0.2 Na0.025 O11.96 Si3.24 -","- Al2.28 F0.04 Fe0.28 H1.96 K0.475 Mg0.2 Na0.025 O11.96 Si3.24 -","- Al9.12 F0.16 Fe1.12 H7.84 K1.9 Mg0.8 Na0.1 O47.84 Si12.96 -","4","0.5","","Mookherjee, M.; Redfern, S. A. T.; Zhang, M.","Thermal response of structure and hydroxyl ion of phengite-2M_1: an in situ neutron diffraction and FTIR study Sample: T = 100 degrees C","European Journal of Mineralogy","2001","13","","545","555","10.1127/0935-1221/2001/0013-0545","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42","" "9005487","5.223","","9.0618","","20.044","","90","","95.738","","90","","943.925","","","","473.15","","","","","","","","","9","C 1 2/c 1","-C 2yc","15","","","Phengite","- Al2.28 F0.04 Fe0.28 H1.96 K0.475 Mg0.2 Na0.025 O11.96 Si3.24 -","- Al2.28 F0.04 Fe0.28 H1.96 K0.475 Mg0.2 Na0.025 O11.96 Si3.24 -","- Al9.12 F0.16 Fe1.12 H7.84 K1.9 Mg0.8 Na0.1 O47.84 Si12.96 -","4","0.5","","Mookherjee, M.; Redfern, S. A. T.; Zhang, M.","Thermal response of structure and hydroxyl ion of phengite-2M_1: an in situ neutron diffraction and FTIR study Sample: T = 200 degrees C","European Journal of Mineralogy","2001","13","","545","555","10.1127/0935-1221/2001/0013-0545","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42","" "9005488","5.2276","","9.0701","","20.083","","90","","95.726","","90","","947.481","","","","","","","","","","","","","9","C 1 2/c 1","-C 2yc","15","","","Phengite","- Al2.28 F0.04 Fe0.28 H1.96 K0.475 Mg0.2 Na0.025 O11.96 Si3.24 -","- Al2.28 F0.04 Fe0.28 H1.96 K0.475 Mg0.2 Na0.025 O11.96 Si3.24 -","- Al9.12 F0.16 Fe1.12 H7.84 K1.9 Mg0.8 Na0.1 O47.84 Si12.96 -","4","0.5","","Mookherjee, M.; Redfern, S. A. T.; Zhang, M.","Thermal response of structure and hydroxyl ion of phengite-2M_1: an in situ neutron diffraction and FTIR study Sample: T1 = 300 degrees C","European Journal of Mineralogy","2001","13","","545","555","10.1127/0935-1221/2001/0013-0545","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42","" "9005489","5.2279","","9.0745","","20.096","","90","","95.727","","90","","948.607","","","","","","","","","","","","","9","C 1 2/c 1","-C 2yc","15","","","Phengite","- Al2.28 F0.04 Fe0.28 H1.96 K0.475 Mg0.2 Na0.025 O11.96 Si3.24 -","- Al2.28 F0.04 Fe0.28 H1.96 K0.475 Mg0.2 Na0.025 O11.96 Si3.24 -","- Al9.12 F0.16 Fe1.12 H7.84 K1.9 Mg0.8 Na0.1 O47.84 Si12.96 -","4","0.5","","Mookherjee, M.; Redfern, S. A. T.; Zhang, M.","Thermal response of structure and hydroxyl ion of phengite-2M_1: an in situ neutron diffraction and FTIR study Sample: T2 = 300 degrees C","European Journal of Mineralogy","2001","13","","545","555","10.1127/0935-1221/2001/0013-0545","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42","" "9005490","5.2321","","9.0784","","20.125","","90","","95.715","","90","","951.168","","","","","","","","","","","","","9","C 1 2/c 1","-C 2yc","15","","","Phengite","- Al2.28 F0.04 Fe0.28 H1.96 K0.475 Mg0.2 Na0.025 O11.96 Si3.24 -","- Al2.28 F0.04 Fe0.28 H1.96 K0.475 Mg0.2 Na0.025 O11.96 Si3.24 -","- Al9.12 F0.16 Fe1.12 H7.84 K1.9 Mg0.8 Na0.1 O47.84 Si12.96 -","4","0.5","","Mookherjee, M.; Redfern, S. A. T.; Zhang, M.","Thermal response of structure and hydroxyl ion of phengite-2M_1: an in situ neutron diffraction and FTIR study Sample: T1 = 400 degrees C","European Journal of Mineralogy","2001","13","","545","555","10.1127/0935-1221/2001/0013-0545","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42","" "9005491","5.2324","","9.0787","","20.129","","90","","95.718","","90","","951.438","","","","","","","","","","","","","9","C 1 2/c 1","-C 2yc","15","","","Phengite","- Al2.28 F0.04 Fe0.28 H1.96 K0.475 Mg0.2 Na0.025 O11.96 Si3.24 -","- Al2.28 F0.04 Fe0.28 H1.96 K0.475 Mg0.2 Na0.025 O11.96 Si3.24 -","- Al9.12 F0.16 Fe1.12 H7.84 K1.9 Mg0.8 Na0.1 O47.84 Si12.96 -","4","0.5","","Mookherjee, M.; Redfern, S. A. T.; Zhang, M.","Thermal response of structure and hydroxyl ion of phengite-2M_1: an in situ neutron diffraction and FTIR study Sample: T2 = 400 degrees C","European Journal of Mineralogy","2001","13","","545","555","10.1127/0935-1221/2001/0013-0545","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42","" "9005492","5.236","","9.0862","","20.169","","90","","95.707","","90","","954.791","","","","","","","","","","","","","9","C 1 2/c 1","-C 2yc","15","","","Phengite","- Al2.28 F0.04 Fe0.28 H1.96 K0.475 Mg0.2 Na0.025 O11.96 Si3.24 -","- Al2.28 F0.04 Fe0.28 H1.96 K0.475 Mg0.2 Na0.025 O11.96 Si3.24 -","- Al9.12 F0.16 Fe1.12 H7.84 K1.9 Mg0.8 Na0.1 O47.84 Si12.96 -","4","0.5","","Mookherjee, M.; Redfern, S. A. T.; Zhang, M.","Thermal response of structure and hydroxyl ion of phengite-2M_1: an in situ neutron diffraction and FTIR study Sample: T1 = 500 degrees C","European Journal of Mineralogy","2001","13","","545","555","10.1127/0935-1221/2001/0013-0545","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42","" "9005493","5.2356","","9.0893","","20.177","","90","","95.707","","90","","955.423","","","","","","","","","","","","","9","C 1 2/c 1","-C 2yc","15","","","Phengite","- Al2.28 F0.04 Fe0.28 H1.96 K0.475 Mg0.2 Na0.025 O11.96 Si3.24 -","- Al2.28 F0.04 Fe0.28 H1.96 K0.475 Mg0.2 Na0.025 O11.96 Si3.24 -","- Al9.12 F0.16 Fe1.12 H7.84 K1.9 Mg0.8 Na0.1 O47.84 Si12.96 -","4","0.5","","Mookherjee, M.; Redfern, S. A. T.; Zhang, M.","Thermal response of structure and hydroxyl ion of phengite-2M_1: an in situ neutron diffraction and FTIR study Sample: T2 = 500 degrees C","European Journal of Mineralogy","2001","13","","545","555","10.1127/0935-1221/2001/0013-0545","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42","" "9005494","5.2356","","9.0893","","20.177","","90","","95.707","","90","","955.423","","","","873.15","","","","","","","","","9","C 1 2/c 1","-C 2yc","15","","","Phengite","- Al2.28 F0.04 Fe0.28 H1.96 K0.475 Mg0.2 Na0.025 O11.96 Si3.24 -","- Al2.28 F0.04 Fe0.28 H1.96 K0.475 Mg0.2 Na0.025 O11.96 Si3.24 -","- Al9.12 F0.16 Fe1.12 H7.84 K1.9 Mg0.8 Na0.1 O47.84 Si12.96 -","4","0.5","","Mookherjee, M.; Redfern, S. A. T.; Zhang, M.","Thermal response of structure and hydroxyl ion of phengite-2M_1: an in situ neutron diffraction and FTIR study Sample: T = 600 degrees C","European Journal of Mineralogy","2001","13","","545","555","10.1127/0935-1221/2001/0013-0545","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42","" "9005495","5.2412","","9.0983","","20.242","","90","","95.69","","90","","960.504","","","","923.15","","","","","","","","","9","C 1 2/c 1","-C 2yc","15","","","Phengite","- Al2.28 F0.04 Fe0.28 H1.96 K0.475 Mg0.2 Na0.025 O11.96 Si3.24 -","- Al2.28 F0.04 Fe0.28 H1.96 K0.475 Mg0.2 Na0.025 O11.96 Si3.24 -","- Al9.12 F0.16 Fe1.12 H7.84 K1.9 Mg0.8 Na0.1 O47.84 Si12.96 -","4","0.5","","Mookherjee, M.; Redfern, S. A. T.; Zhang, M.","Thermal response of structure and hydroxyl ion of phengite-2M_1: an in situ neutron diffraction and FTIR study Sample: T = 650 degrees C","European Journal of Mineralogy","2001","13","","545","555","10.1127/0935-1221/2001/0013-0545","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42","" "9005496","5.2328","","9.0948","","20.207","","90","","95.694","","90","","956.932","","","","973.15","","","","","","","","","9","C 1 2/c 1","-C 2yc","15","","","Phengite","- Al2.28 F0.04 Fe0.28 H1.96 K0.475 Mg0.2 Na0.025 O11.96 Si3.24 -","- Al2.28 F0.04 Fe0.28 H1.96 K0.475 Mg0.2 Na0.025 O11.96 Si3.24 -","- Al9.12 F0.16 Fe1.12 H7.84 K1.9 Mg0.8 Na0.1 O47.84 Si12.96 -","4","0.5","","Mookherjee, M.; Redfern, S. A. T.; Zhang, M.","Thermal response of structure and hydroxyl ion of phengite-2M_1: an in situ neutron diffraction and FTIR study Sample: T = 700 degrees C Note: y-coordinate altered","European Journal of Mineralogy","2001","13","","545","555","10.1127/0935-1221/2001/0013-0545","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42","" "9005497","11.265","0.002","7.386","0.001","44.97","0.009","90","","90","","90","","3741.65","","","","","","","","","","","","Locality: Wessels mine, South Africa","4","F 2 d d","F -2d 2","43","","","Tobermorite","- Ca2 H3 O11 Si3 -","- Ca2 H3 O11 Si3 -","- Ca32 H48 O176 Si48 -","16","1","","Merlino, S.; Bonaccorsi, E.; Armbruster, T.","The real structure of tobermorite 11Å: normal and anomalous forms, OD character and polytypic modifications Note: sample MD01","European Journal of Mineralogy","2001","13","","577","590","10.1127/0935-1221/2001/0013-0577","","","","","","","0.128","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:53:33","" "9005498","6.735","0.002","7.385","0.001","22.487","0.004","90","","90","","123.25","0.01","935.351","","","","","","","","","","","","Locality: Wessels mine, South Africa","4","B 1 1 m","B -2","8","","","Tobermorite","- Ca2 H5 O11 Si3 -","- Ca2 H5 O11 Si3 -","- Ca8 H20 O44 Si12 -","4","1","","Merlino, S.; Bonaccorsi, E.; Armbruster, T.","The real structure of tobermorite 11Å: normal and anomalous forms, OD character and polytypic modifications Note: sample MD02","European Journal of Mineralogy","2001","13","","577","590","10.1127/0935-1221/2001/0013-0577","","","","","","","0.051","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:53:44","" "9005499","6.732","0.002","7.369","0.001","22.68","0.004","90","","90","","123.18","0.01","941.668","","","","","","","","","","","","Locality: Bašcenov, Urals, Russia","4","B 1 1 m","B -2","8","","","Tobermorite","- Ca2.25 H7 O11 Si3 -","- Ca2.25 H5 O11 Si3 -","- Ca9 H20 O44 Si12 -","4","1","","Merlino, S.; Bonaccorsi, E.; Armbruster, T.","The real structure of tobermorite 11Å: normal and anomalous forms, OD character and polytypic modifications Note: sample MDO2","European Journal of Mineralogy","2001","13","","577","590","10.1127/0935-1221/2001/0013-0577","","x-ray","","","","","0.089","","","","","","","","","","","","","","has coordinates","283866","2023-05-18","12:54:09","" "9005500","6.732","0.002","7.369","0.001","22.68","0.004","90","","90","","123.18","0.01","941.668","","","","","","","","","","","","Locality: Bašcenov, Urals, Russia","4","B 1 1 m","B -2","8","","","Tobermorite","- Ca2.25 H7 O11 Si3 -","- Ca2.25 H5 O11 Si3 -","- Ca9 H20 O44 Si12 -","4","1","","Merlino, S.; Bonaccorsi, E.; Armbruster, T.","The real structure of tobermorite 11Å: normal and anomalous forms, OD character and polytypic modifications Note: sample MDO2","European Journal of Mineralogy","2001","13","","577","590","10.1127/0935-1221/2001/0013-0577","","x-ray","","","","","0.11","","","","","","","","","","","","","","has coordinates","283866","2023-05-18","12:54:09","" "9005501","7.5817","","7.6813","","2.8865","","90","","90","","90","","168.102","","","","","","","","","","","","","3","P b a m","-P 2 2ab","55","","","Mullite","- Al2.41 O4.793 Si0.59 -","- Al2.41 O4.793 Si0.59 -","- Al4.82 O9.586 Si1.18 -","2","0.25","","Voll, D.; Lengauer, C.; Beran, A.; Schneider, H.","Infrared band assignment and structural refinement of Al-Si, Al-Ge, and Ga-Ge mullites Sample: Al-Si single-crystal","European Journal of Mineralogy","2001","13","","591","604","10.1127/0935-1221/2001/0013-0591","","","","","","","","","","","","","","","","","","","","","has coordinates","283857","2023-05-18","09:26:08","" "9005502","7.5655","","7.6883","","2.8851","","90","","90","","90","","167.814","","","","","","","","","","","","","3","P b a m","-P 2 2ab","55","","","Mullite","- Al2.34 O4.83 Si0.66 -","- Al2.34 O4.83 Si0.66 -","- Al4.68 O9.66 Si1.32 -","2","0.25","","Voll, D.; Lengauer, C.; Beran, A.; Schneider, H.","Infrared band assignment and structural refinement of Al-Si, Al-Ge, and Ga-Ge mullites Sample: Al-Si powder data","European Journal of Mineralogy","2001","13","","591","604","10.1127/0935-1221/2001/0013-0591","","","","","","","","","","","","","","","","","","","","","has coordinates","283857","2023-05-18","09:26:08","" "9005503","7.653","","7.7779","","2.9252","","90","","90","","90","","174.12","","","","","","","","","","","","","3","P b a m","-P 2 2ab","55","","","Mullite","- Al2.36 Ge0.64 O4.82 -","- Al2.36 Ge0.64 O4.82 -","- Al4.72 Ge1.28 O9.64 -","2","0.25","","Voll, D.; Lengauer, C.; Beran, A.; Schneider, H.","Infrared band assignment and structural refinement of Al-Si, Al-Ge, and Ga-Ge mullites Sample: Al-Ge powder data","European Journal of Mineralogy","2001","13","","591","604","10.1127/0935-1221/2001/0013-0591","","","","","","","","","","","","","","","","","","","","","has coordinates","283857","2023-05-18","09:26:08","" "9005504","7.8674","","8.0305","","3.0148","","90","","90","","90","","190.473","","","","","","","","","","","","","3","P b a m","-P 2 2ab","55","","","Mullite","- Ga2.31 Ge0.69 O4.84 -","- Ga2.31 Ge0.69 O4.84 -","- Ga4.62 Ge1.38 O9.68 -","2","0.25","","Voll, D.; Lengauer, C.; Beran, A.; Schneider, H.","Infrared band assignment and structural refinement of Al-Si, Al-Ge, and Ga-Ge mullites Sample: Ga-Ge powder data","European Journal of Mineralogy","2001","13","","591","604","10.1127/0935-1221/2001/0013-0591","","","","","","","","","","","","","","","","","","","","","has coordinates","283857","2023-05-18","09:26:08","" "9005505","12.397","","12.397","","12.397","","90","","90","","90","","1905.24","","","","","","","","","","","","Anguillara, Mts. Sabatini, Italy","9","I a -3 d","-I 4bd 2c 3","230","","","Kimzeyite","- Al0.81 Ba0.03 Ca2.97 Fe0.92 Mg0.11 O12 Si1.35 Ti0.68 Zr1.12 -","- Al0.81 Ba0.03 Ca2.97 Fe0.92 Mg0.11 O12 Si1.35 Ti0.68 Zr1.12 -","- Al6.48 Ba0.24 Ca23.76 Fe7.36 Mg0.88 O96 Si10.8 Ti5.44 Zr8.96 -","8","0.0833333","","Schingaro, E.; Scordari, F.; Capitanio, F.; Parodi, G.; Smith, D. C.; Mottana, A.","Crystal chemistry of kimzeyite from Anguillara, Mts. Sabatini, Italy Sample: AD collected with a point detector","European Journal of Mineralogy","2001","13","","749","759","10.1127/0935-1221/2001/0013-0749","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42","" "9005506","12.397","","12.397","","12.397","","90","","90","","90","","1905.24","","","","","","","","","","","","Anguillara, Mts. Sabatini, Italy","9","I a -3 d","-I 4bd 2c 3","230","","","Kimzeyite","- Al0.81 Ba0.03 Ca2.97 Fe0.92 Mg0.11 O12 Si1.35 Ti0.68 Zr1.12 -","- Al0.81 Ba0.03 Ca2.97 Fe0.92 Mg0.11 O12 Si1.35 Ti0.68 Zr1.12 -","- Al6.48 Ba0.24 Ca23.76 Fe7.36 Mg0.88 O96 Si10.8 Ti5.44 Zr8.96 -","8","0.0833333","","Schingaro, E.; Scordari, F.; Capitanio, F.; Parodi, G.; Smith, D. C.; Mottana, A.","Crystal chemistry of kimzeyite from Anguillara, Mts. Sabatini, Italy Sample: CD collected with an area detector","European Journal of Mineralogy","2001","13","","749","759","10.1127/0935-1221/2001/0013-0749","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42","" "9005507","12.293","","11.124","","4.861","","90","","95.69","","90","","661.454","","","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","Trimounsite-(Y)","- Er0.466 O9 Si Ti2 Y1.534 -","- Er0.466 O9 Si Ti2 Y1.534 -","- Er1.864 O36 Si4 Ti8 Y6.136 -","4","1","","Kolitsch, U.","The crystal structure of trimounsite-(Y), (Y,REE)2Ti2SiO9: an unusual TiO6-based titanate chain","European Journal of Mineralogy","2001","13","","761","768","10.1127/0935-1221/2001/0013-0761","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42","" "9005508","12.773","","12.773","","5.051","","90","","90","","120","","713.664","","","","","","","","","","","","Tsumeb, Namibia","6","P 63 m c","P 6c -2c","186","","","Ekatite","- As2.268 Fe5.07 H9.492 O15.246 Si0.246 Zn0.9 -","- As2.268 Fe5.07 H9.492 O15.246 Si0.246 Zn0.9 -","- As4.536 Fe10.14 H18.984 O30.492 Si0.492 Zn1.8 -","2","0.166667","","Keller, P.","Ekatite, (Fe3+,Fe2+,Zn)12(OH)6[AsO3]6[AsO3,HOSiO3]2, a new mineral from Tsumeb, Namibia, and its crystal structure","European Journal of Mineralogy","2001","13","","769","777","10.1127/0935-1221/2001/0013-0769","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:53:48","" "9005509","7.2704","","10.197","","6.8463","","90","","105.34","","90","","489.476","","","","","","","","","","","","Radvanice near Trutnov, Czech Republic","3","P 1 21/c 1","-P 2ybc","14","","","SnGeS3","- Ge S3 Sn -","- Ge S3 Sn -","- Ge4 S12 Sn4 -","4","1","","Sejkora, J.; Berlepsch, P.; Makovicky, E.; Balic-Zunic T","Natural SnGeS3 from Radvanice near Trutnov (Czech Republic): its description, crystal structure refinement and solid solution with PbGeS3","European Journal of Mineralogy","2001","13","","791","800","10.1127/0935-1221/2001/0013-0791","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42","" "9005510","11.879","","5.808","","9.505","","90","","90","","90","","655.781","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","","Mendipite","- Cl2 O2 Pb3 -","- Cl2 O2 Pb3 -","- Cl8 O8 Pb12 -","4","0.5","","Krivovichev, S. V.; Burns, P. C.","Crystal chemistry of lead oxide chlorides. I. Crystal structures of synthetic mendipite, Pb3O2Cl2, and synthetic damaraite, Pb3O2(OH)Cl","European Journal of Mineralogy","2001","13","","801","809","10.1127/0935-1221/2001/0013-0801","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42","" "9005511","5.8052","","6.9025","","15.141","","90","","90","","90","","606.706","","","","","","","","","","","","","4","P m c 21","P 2c -2","26","","","Damaraite","- Cl H O3 Pb3 -","- Cl H O3 Pb3 -","- Cl4 H4 O12 Pb12 -","4","1","","Krivovichev, S. V.; Burns, P. C.","Crystal chemistry of lead oxide chlorides. I. Crystal structures of synthetic mendipite, Pb3O2Cl2, and synthetic damaraite, Pb3O2(OH)Cl","European Journal of Mineralogy","2001","13","","801","809","10.1127/0935-1221/2001/0013-0801","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:54:01","" "9005512","8.882","","13.048","","7.202","","90","","116.88","","90","","744.476","","","","","","","","","","","","","4","C 1 2/m 1","-C 2y","12","","","TlAlSi3O8","- Al O8 Si3 Tl -","- Al O8 Si3 Tl -","- Al4 O32 Si12 Tl4 -","4","0.5","","Kyono, A.; Kimata, M.","The crystal structure of synthetic TlAlSi3O8: Influence of the inert-pair effect of thallium on the feldspar structure","European Journal of Mineralogy","2001","13","","849","856","10.1127/0935-1221/2001/0013/0849","","","","","","","","","","","","","","","","","","","","","has coordinates","283960","2023-05-23","08:42:08","" "9005513","4.2113","","4.2113","","4.2113","","90","","90","","90","","74.688","","","","","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","","Periclase","- Mg O -","- Mg O -","- Mg4 O4 -","4","0.0208333","","Boiocchi, M.; Caucia, F.; Merli, M.; Prella, D.; Ungaretti, L.","Crystal-chemical reasons for the immiscibility of periclase and wustite under lithospheric P,T conditions Sample: Per.synt","European Journal of Mineralogy","2001","13","","871","881","10.1127/0935-1221/2001/0013/0871","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42","" "9005514","4.2154","","4.2154","","4.2154","","90","","90","","90","","74.906","","","","","","","","","","","","","3","F m -3 m","-F 4 2 3","225","","","Periclase","- Fe0.026 Mg0.974 O -","- Fe0.026 Mg0.974 O -","- Fe0.104 Mg3.896 O4 -","4","0.0208333","","Boiocchi, M.; Caucia, F.; Merli, M.; Prella, D.; Ungaretti, L.","Crystal-chemical reasons for the immiscibility of periclase and wustite under lithospheric P,T conditions Sample: Per.4041","European Journal of Mineralogy","2001","13","","871","881","10.1127/0935-1221/2001/0013/0871","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42","" "9005515","4.2178","","4.2178","","4.2178","","90","","90","","90","","75.034","","","","","","","","","","","","","3","F m -3 m","-F 4 2 3","225","","","Periclase","- Fe0.042 Mg0.958 O -","- Fe0.042 Mg0.958 O -","- Fe0.168 Mg3.832 O4 -","4","0.0208333","","Boiocchi, M.; Caucia, F.; Merli, M.; Prella, D.; Ungaretti, L.","Crystal-chemical reasons for the immiscibility of periclase and wustite under lithospheric P,T conditions Sample: Per.3363","European Journal of Mineralogy","2001","13","","871","881","10.1127/0935-1221/2001/0013/0871","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42","" "9005516","4.212","","4.212","","4.212","","90","","90","","90","","74.725","","","","","","","","","","after heating to 1100 deg C","","","3","F m -3 m","-F 4 2 3","225","","","Periclase","- Fe0.01 Mg0.99 O -","- Fe0.01 Mg0.99 O -","- Fe0.04 Mg3.96 O4 -","4","0.0208333","","Boiocchi, M.; Caucia, F.; Merli, M.; Prella, D.; Ungaretti, L.","Crystal-chemical reasons for the immiscibility of periclase and wustite under lithospheric P,T conditions Sample: after heating to 1100 deg C","European Journal of Mineralogy","2001","13","","871","881","10.1127/0935-1221/2001/0013/0871","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42","" "9005517","8.385","","8.385","","8.385","","90","","90","","90","","589.534","","","","","","","","","","after heating to 1100 deg C","","","3","F d -3 m :2","-F 4vw 2vw 3","227","","","Magnesioferrite","- Fe1.96 Mg1.04 O4 -","- Fe1.96 Mg1.04 O4 -","- Fe15.68 Mg8.32 O32 -","8","0.0416667","","Boiocchi, M.; Caucia, F.; Merli, M.; Prella, D.; Ungaretti, L.","Crystal-chemical reasons for the immiscibility of periclase and wustite under lithospheric P,T conditions Sample: after heating to 1100 deg C","European Journal of Mineralogy","2001","13","","871","881","10.1127/0935-1221/2001/0013/0871","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42","" "9005518","6.6039","","6.6039","","5.9783","","90","","90","","90","","260.723","","","","","","","","","","","","","3","I 41/a m d :2","-I 4bd 2","141","","","Zircon","- O4 Si Zr -","- O4 Si Zr -","- O16 Si4 Zr4 -","4","0.125","","Kolesov, B. A.; Geiger, C. A.; Armbruster, T.","The dynamic properties of zircon studied by single-crystal X-ray diffraction and Raman spectroscopy","European Journal of Mineralogy","2001","13","","939","948","10.1127/0935-1221/2001/0013-0939","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42","" "9005519","5.3925","","11.9283","","11.7256","","113.044","","94.84","","103.064","","663.394","","","","","","","","","","","","Lovozero massif, Kola Peninsula, Russia","12","P -1","-P 1","2","","","Kupletskite","- Ca0.356 F Fe0.401 H4 K2 Mg0.238 Mn5.926 Na1.026 Nb0.104 O30 Si8 Ti1.896 -","- Ca0.356 F Fe0.401 H4 K2 Mg0.238 Mn5.926 Na1.026 Nb0.104 O30 Si8 Ti1.896 -","- Ca0.356 F Fe0.401 H4 K2 Mg0.238 Mn5.926 Na1.026 Nb0.104 O30 Si8 Ti1.896 -","1","0.5","","Piilonen, P. C.; McDonald, A. M.; LaLonde, A. E.","Kupletskite polytypes from the Lovozero massif, Kola Peninsula, Russia: Kupletskite-1A and kupletskite-Ma2b2c Sample: Kupletskite-1A","European Journal of Mineralogy","2001","13","","973","984","10.1127/0935-1221/2001/0013/0973","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:54:07","" "9005520","5.4022","","23.226","","21.1782","","90","","95.246","","90","","2646.13","","","","","","","","","","","","Lovozero massif, Kola Peninsula, Russia","11","C 1 2/c 1","-C 2yc","15","","","Kupletskite","- Ca0.398 F H4 K2 Mg0.138 Mn6.6 Na0.776 Nb0.238 O30 Si8 Ti1.762 -","- Ca0.398 F H4 K2 Mg0.138 Mn6.6 Na0.776 Nb0.238 O30 Si8 Ti1.762 -","- Ca1.592 F4 H16 K8 Mg0.552 Mn26.4 Na3.104 Nb0.952 O120 Si32 Ti7.048 -","4","0.5","","Piilonen, P. C.; McDonald, A. M.; LaLonde, A. E.","Kupletskite polytypes from the Lovozero massif, Kola Peninsula, Russia: Kupletskite-1A and kupletskite-Ma2b2c Sample: Kupletskite-Ma2b2c","European Journal of Mineralogy","2001","13","","973","984","10.1127/0935-1221/2001/0013/0973","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:54:20","" "9005521","12.035","","6.9294","","12.6705","","90","","90.266","","90","","1056.65","","","","","","","","","","","","","4","I 1 2 1","I 2y","5","","","Bassanite","- Ca H O4.5 S -","- Ca O4.5 S -","- Ca12 O54 S12 -","12","3","","Ballirano, P.; Maras, A.; Meloni, S.; Caminiti, R.","The monoclinic I2 structure of bassanite, calcium sulphate hemihydrate","European Journal of Mineralogy","2001","13","","985","993","10.1127/0935-1221/2001/0013/0985","","","","","","","","","","","","","","","","","","","","","has coordinates","200438","2020-10-21","18:00:00","" "9005522","5.2781","","9.141","","20.124","","90","","90","","90","","970.925","","","","","","","","","","","","","10","C c m m","-C 2c 2c","63","","","Phlogopite-2O","- Al0.6 F0.8 Fe0.33 H1.2 K0.97 Li0.67 Mg2 Na0.03 O11.2 Si3.4 -","- Al0.6 F0.8 Fe0.33 H1.2 K0.97 Li0.67 Mg2 Na0.03 O11.2 Si3.4 -","- Al2.4 F3.2 Fe1.32 H4.8 K3.88 Li2.68 Mg8 Na0.12 O44.8 Si13.6 -","4","0.25","","Ferraris, G.; Gula, A.; Ivaldi, G.; Nespolo, M.; Sokolova, E.; Uvarova, Y.; Khomyakov, A. P.","First structure determination of an MDO-2O mica polytype associated with a 1M polytype","European Journal of Mineralogy","2001","13","","1013","1023","10.1127/0935-1221/2001/0013-1013","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42","" "9005523","5.305","","9.199","","10.232","","90","","100.03","","90","","491.697","","","","","","","","","","","","","10","C 1 2/m 1","-C 2y","12","","","Fluorophlogopite-1M","- Al0.6 F1.2 Fe0.34 H0.8 K0.97 Li0.52 Mg2.14 Na0.03 O10.8 Si3.4 -","- Al0.6 F1.2 Fe0.34 H0.8 K0.97 Li0.52 Mg2.14 Na0.03 O10.8 Si3.4 -","- Al1.2 F2.4 Fe0.68 H1.6 K1.94 Li1.04 Mg4.28 Na0.06 O21.6 Si6.8 -","2","0.25","","Ferraris, G.; Gula, A.; Ivaldi, G.; Nespolo, M.; Sokolova, E.; Uvarova, Y.; Khomyakov, A. P.","First structure determination of an MDO-2O mica polytype associated with a 1M polytype","European Journal of Mineralogy","2001","13","","1013","1023","10.1127/0935-1221/2001/0013-1013","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42","" "9005524","5.22","","5.22","","29.762","","90","","90","","120","","702.318","","","","","","","","","","","","Cima Pal, Val Savenca, western Alps","9","P 31 1 2","P 31 2 (0 0 4)","151","","","Phengite-3T","- Al2.11 Fe0.18 H2 K0.9 Mg0.32 Na0.05 O12 Si3.4 Ti0.03 -","- Al2.11 Fe0.18 H2 K0.9 Mg0.32 Na0.05 O12 Si3.4 Ti0.03 -","- Al6.33 Fe0.54 H6 K2.7 Mg0.96 Na0.15 O36 Si10.2 Ti0.09 -","3","0.5","","Ivaldi, G.; Ferraris, G.; Curetti, N.; Compagnoni, R.","Coexisting 3T and 2M_1 polytypes of phengite from Cima Pal (Val Savenca, western Alps): Chemical and polytypic zoning and structural characterisation Sample: 3TY Locality: Cima Pal, Val Savenca, western Alps","European Journal of Mineralogy","2001","13","","1025","1034","10.1127/0935-1221/2001/0013-1025","","","","","","","","","","","","","","","","","","","","","has coordinates","283960","2023-05-23","08:42:08","" "9005525","5.228","","5.228","","29.73","","90","","90","","120","","703.715","","","","","","","","","","","","Cima Pal, Val Savenca, western Alps","9","P 31 1 2","P 31 2 (0 0 4)","151","","","Phengite-3T","- Al1.9 Fe0.27 H2 K0.95 Mg0.34 Na0.01 O12 Si3.5 Ti0.03 -","- Al1.9 Fe0.27 H2 K0.95 Mg0.34 Na0.01 O12 Si3.5 Ti0.03 -","- Al5.7 Fe0.81 H6 K2.85 Mg1.02 Na0.03 O36 Si10.5 Ti0.09 -","3","0.5","","Ivaldi, G.; Ferraris, G.; Curetti, N.; Compagnoni, R.","Coexisting 3T and 2M_1 polytypes of phengite from Cima Pal (Val Savenca, western Alps): Chemical and polytypic zoning and structural characterisation Sample: 3TG Locality: Cima Pal, Val Savenca, western Alps","European Journal of Mineralogy","2001","13","","1025","1034","10.1127/0935-1221/2001/0013-1025","","","","","","","","","","","","","","","","","","","","","has coordinates","283960","2023-05-23","08:42:08","" "9005526","5.2132","","9.051","","19.937","","90","","95.76","","90","","935.971","","","","","","","","","","","","Cima Pal, Val Savenca, western Alps","9","C 1 2/c 1","-C 2yc","15","","","Phengite-2M1","- Al2.17 Fe0.21 H2 K0.98 Mg0.24 Na0.02 O12 Si3.38 Ti0.02 -","- Al2.17 Fe0.21 H2 K0.98 Mg0.24 Na0.02 O12 Si3.38 Ti0.02 -","- Al8.68 Fe0.84 H8 K3.92 Mg0.96 Na0.08 O48 Si13.52 Ti0.08 -","4","0.5","","Ivaldi, G.; Ferraris, G.; Curetti, N.; Compagnoni, R.","Coexisting 3T and 2M_1 polytypes of phengite from Cima Pal (Val Savenca, western Alps): Chemical and polytypic zoning and structural characterisation Sample: 2M1Y Locality: Cima Pal, Val Savenca, western Alps","European Journal of Mineralogy","2001","13","","1025","1034","10.1127/0935-1221/2001/0013-1025","","","","","","","","","","","","","","","","","","","","","has coordinates","283960","2023-05-23","08:42:08","" "9005527","5.225","","9.057","","19.956","","90","","95.73","","90","","939.656","","","","","","","","","","","","Cima Pal, Val Savenca, western Alps","9","C 1 2/c 1","-C 2yc","15","","","Phengite-2M1","- Al1.97 Fe0.24 H2 K0.99 Mg0.33 Na0.02 O12 Si3.45 Ti0.04 -","- Al1.97 Fe0.24 H2 K0.99 Mg0.33 Na0.02 O12 Si3.45 Ti0.04 -","- Al7.88 Fe0.96 H8 K3.96 Mg1.32 Na0.08 O48 Si13.8 Ti0.16 -","4","0.5","","Ivaldi, G.; Ferraris, G.; Curetti, N.; Compagnoni, R.","Coexisting 3T and 2M_1 polytypes of phengite from Cima Pal (Val Savenca, western Alps): Chemical and polytypic zoning and structural characterisation Sample: 2M1G Locality: Cima Pal, Val Savenca, western Alps","European Journal of Mineralogy","2001","13","","1025","1034","10.1127/0935-1221/2001/0013-1025","","","","","","","","","","","","","","","","","","","","","has coordinates","283960","2023-05-23","08:42:08","" "9005528","5.332","","9.235","","10.22","","90","","100.06","","90","","495.506","","","","","","","","","","","","Mt. Vulture, Italy","12","C 1 2/m 1","-C 2y","12","","","Phlogopite-1M","- Al1.4 Ba0.02 F0.35 Fe0.69 H1.86 K0.83 Mg1.84 Mn0.01 Na0.05 O11.72 Si2.8 Ti0.13 -","- Al1.4 Ba0.02 F0.35 Fe0.69 H1.86 K0.83 Mg1.84 Mn0.01 Na0.05 O11.72 Si2.8 Ti0.13 -","- Al2.8 Ba0.04 F0.7 Fe1.38 H3.72 K1.66 Mg3.68 Mn0.02 Na0.1 O23.44 Si5.6 Ti0.26 -","2","0.25","","Schingaro, E.; Scordari, F.; Ventruti, G.","Trioctahedral micas-1M from Mt. Vulture (Italy): Structural disorder and crystal chemistry Sample: LC2G","European Journal of Mineralogy","2001","13","","1057","1069","10.1127/0935-1221/2001/0013-1057","","","","","","","","","","","","","","","","","","","","","has coordinates","283868","2023-05-18","14:40:10","" "9005529","5.346","","9.258","","10.208","","90","","100.12","","90","","497.367","","","","","","","","","","","","Mt. Vulture, Italy","13","C 1 2/m 1","-C 2y","12","","","Phlogopite-1M","- Al1.37 Ba0.045 F0.18 Fe1.12 H1.59 K0.86 Li0.23 Mg1.44 Mn0.01 Na0.05 O11.82 Si2.59 Ti0.23 -","- Al1.37 Ba0.045 F0.18 Fe1.12 H1.59 K0.86 Li0.23 Mg1.44 Mn0.01 Na0.05 O11.82 Si2.59 Ti0.23 -","- Al2.74 Ba0.09 F0.36 Fe2.24 H3.18 K1.72 Li0.46 Mg2.88 Mn0.02 Na0.1 O23.64 Si5.18 Ti0.46 -","2","0.25","","Schingaro, E.; Scordari, F.; Ventruti, G.","Trioctahedral micas-1M from Mt. Vulture (Italy): Structural disorder and crystal chemistry Sample: LC7N","European Journal of Mineralogy","2001","13","","1057","1069","10.1127/0935-1221/2001/0013-1057","","","","","","","","","","","","","","","","","","","","","has coordinates","283868","2023-05-18","14:40:10","" "9005530","5.327","","9.225","","10.236","","90","","99.99","","90","","495.386","","","","","","","","","","","","Mt. Vulture, Italy","12","C 1 2/m 1","-C 2y","12","","","Phlogopite-1M","- Al1.43 Ba0.02 F0.24 Fe0.6 H1.76 K0.89 Mg2.13 Mn0.01 Na0.06 O11.76 Si2.58 Ti0.13 -","- Al1.43 Ba0.02 F0.24 Fe0.6 H1.76 K0.89 Mg2.13 Mn0.01 Na0.06 O11.76 Si2.58 Ti0.13 -","- Al2.86 Ba0.04 F0.48 Fe1.2 H3.52 K1.78 Mg4.26 Mn0.02 Na0.12 O23.52 Si5.16 Ti0.26 -","2","0.25","","Schingaro, E.; Scordari, F.; Ventruti, G.","Trioctahedral micas-1M from Mt. Vulture (Italy): Structural disorder and crystal chemistry Sample: LC7G","European Journal of Mineralogy","2001","13","","1057","1069","10.1127/0935-1221/2001/0013-1057","","","","","","","","","","","","","","","","","","","","","has coordinates","283868","2023-05-18","14:40:10","" "9005531","5.327","","9.225","","10.236","","90","","99.99","","90","","495.386","","","","","","","","","","","","Mt. Vulture, Italy","12","C 1 2 1","C 2y","5","","","Phlogopite","- Al1.43 Ba0.02 F0.24 Fe0.6 H1.76 K0.89 Mg2.13 Mn0.01 Na0.06 O11.76 Si2.58 Ti0.13 -","- Al1.43 Ba0.02 F0.24 Fe0.6 H1.7022 K0.89 Mg2.13 Mn0.01 Na0.06 O11.76 Si2.58 Ti0.13 -","- Al2.86 Ba0.04 F0.48 Fe1.2 H3.4044 K1.78 Mg4.26 Mn0.02 Na0.12 O23.52 Si5.16 Ti0.26 -","2","0.5","","Schingaro, E.; Scordari, F.; Ventruti, G.","Trioctahedral micas-1M from Mt. Vulture (Italy): Structural disorder and crystal chemistry Sample: LC7G - C2","European Journal of Mineralogy","2001","13","","1057","1069","10.1127/0935-1221/2001/0013-1057","","","","","","","","","","","","","","","","","","","","","has coordinates","283907","2023-05-21","07:14:43","" "9005532","4.845","","8.647","","11.992","","90","","90.31","","90","","502.394","","","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- K0.45 Na1.55 O5 Si2 -","- K0.45 Na1.55 O5 Si2 -","- K1.8 Na6.2 O20 Si8 -","4","1","","Rakic, S.; Kahlenberg, V.","The crystal structure of a mixed alkali phyllosilicate with composition Na1.55K0.45Si2O5","European Journal of Mineralogy","2001","13","","1215","1221","10.1127/0935-1221/2001/0013-1215","","","","","","","","","","","","","","","","","","","","","has coordinates","283960","2023-05-23","08:42:08","" "9006920","8.394","","8.394","","8.394","","90","","90","","90","","591.435","","","","","","","","","","synthesized at 1200 C","synthesized at 1200 C, 6 GPa","","2","F d -3 m :1","F 4d 2 3 -1d","227","","","Magnetite","- Fe3 O4 -","- Fe3 O4 -","- Fe24 O32 -","8","0.0416667","","Yamanaka, T.; Shimazu, H.; Ota, K.","Electric conductivity of Fe2SiO4-Fe3O4 spinel solid solutions Sample: Fe(3-x)SixO4, x = 0.000, synthesized at 1200 C, 6 GPa","Physics and Chemistry of Minerals","2001","28","","110","118","10.1007/s002690000137","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:03","" "9006921","8.392","","8.392","","8.392","","90","","90","","90","","591.012","","","","","","","","","","synthesized at 1200 C","synthesized at 1200 C, 6 GPa","","3","F d -3 m :1","F 4d 2 3 -1d","227","","","Magnetite","- Fe2.91 O4 Si0.09 -","- Fe2.91 O4 Si0.09 -","- Fe23.28 O32 Si0.72 -","8","0.0416667","","Yamanaka, T.; Shimazu, H.; Ota, K.","Electric conductivity of Fe2SiO4-Fe3O4 spinel solid solutions Sample: Fe(3-x)SixO4, x = 0.090, synthesized at 1200 C, 6 GPa","Physics and Chemistry of Minerals","2001","28","","110","118","10.1007/s002690000137","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:03","" "9006922","8.374","","8.374","","8.374","","90","","90","","90","","587.217","","","","","","","","","","synthesized at 1200 C","synthesized at 1200 C, 10 GPa","","3","F d -3 m :1","F 4d 2 3 -1d","227","","","Magnetite","- Fe2.719 O4 Si0.289 -","- Fe2.719 O4 Si0.289 -","- Fe21.752 O32 Si2.312 -","8","0.0416667","","Yamanaka, T.; Shimazu, H.; Ota, K.","Electric conductivity of Fe2SiO4-Fe3O4 spinel solid solutions Sample: Fe(3-x)SixO4, x = 0.288, synthesized at 1200 C, 10 GPa","Physics and Chemistry of Minerals","2001","28","","110","118","10.1007/s002690000137","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:03","" "9006923","8.286","","8.286","","8.286","","90","","90","","90","","568.898","","","","","","","","","","synthesized at 1200 C","synthesized at 1200 C, 10 GPa","","3","F d -3 m :1","F 4d 2 3 -1d","227","","","","- Fe2.25 O4 Si0.75 -","- Fe2.25 O4 Si0.75 -","- Fe18 O32 Si6 -","8","0.0416667","","Yamanaka, T.; Shimazu, H.; Ota, K.","Electric conductivity of Fe2SiO4-Fe3O4 spinel solid solutions Sample: Fe(3-x)SixO4, x = 0.750, synthesized at 1200 C, 10 GPa","Physics and Chemistry of Minerals","2001","28","","110","118","10.1007/s002690000137","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:03","" "9006924","8.256","","8.256","","8.256","","90","","90","","90","","562.742","","","","","","","","","","synthesized at 1200 C","synthesized at 1200 C, 10 GPa","","3","F d -3 m :1","F 4d 2 3 -1d","227","","","","- Fe2.08 O4 Si0.92 -","- Fe2.08 O4 Si0.92 -","- Fe16.64 O32 Si7.36 -","8","0.0416667","","Yamanaka, T.; Shimazu, H.; Ota, K.","Electric conductivity of Fe2SiO4-Fe3O4 spinel solid solutions Sample: Fe(3-x)SixO4, x = 0.920, synthesized at 1200 C, 10 GPa","Physics and Chemistry of Minerals","2001","28","","110","118","10.1007/s002690000137","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:03","" "9006925","8.2374","","8.2374","","8.2374","","90","","90","","90","","558.947","","","","","","","","","","synthesized at 1200 C","synthesized at 1200 C, 10 GPa","Synthetic","3","F d -3 m :1","F 4d 2 3 -1d","227","","","Ahrensite","- Fe2 O4 Si -","- Fe2 O4 Si -","- Fe16 O32 Si8 -","8","0.0416667","","Yamanaka, T.; Shimazu, H.; Ota, K.","Electric conductivity of Fe2SiO4-Fe3O4 spinel solid solutions Sample: Fe(3-x)SixO4, x = 1.000, synthesized at 1200 C, 10 GPa","Physics and Chemistry of Minerals","2001","28","","110","118","10.1007/s002690000137","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:03","" "9006926","7.8444","","7.8444","","5.0265","","90","","90","","90","","309.304","","","","297","","","","","","","","","4","P -4 21 m","P -4 2ab","113","","","","- Ca2 Co O7 Si2 -","- Ca2 Co O7 Si2 -","- Ca4 Co2 O14 Si4 -","2","0.25","","Kusaka, K.; Hagiya, K.; Ohmasa, M.; Okano, Y.; Mukai, M.; Iishi, K.; Haga, N.","Determination of structures of Ca2CoSi2O7, Ca2MgSi2O7, and Ca2(Mg.55Fe.45)Si2O7 in incommensurate and normal phases and observation of diffuse streaks at high temperature Sample: T = 297 K Melilite group","Physics and Chemistry of Minerals","2001","28","","150","166","10.1007/s002690000147","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:03","" "9006927","7.8507","","7.8507","","5.0281","","90","","90","","90","","309.899","","","","393","","","","","","","","","4","P -4 21 m","P -4 2ab","113","","","","- Ca2 Co O7 Si2 -","- Ca2 Co O7 Si2 -","- Ca4 Co2 O14 Si4 -","2","0.25","","Kusaka, K.; Hagiya, K.; Ohmasa, M.; Okano, Y.; Mukai, M.; Iishi, K.; Haga, N.","Determination of structures of Ca2CoSi2O7, Ca2MgSi2O7, and Ca2(Mg.55Fe.45)Si2O7 in incommensurate and normal phases and observation of diffuse streaks at high temperature Sample: T = 393 K Melilite group","Physics and Chemistry of Minerals","2001","28","","150","166","10.1007/s002690000147","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:03","" "9006928","7.8563","","7.8563","","5.0294","","90","","90","","90","","310.422","","","","468","","","","","","","","","4","P -4 21 m","P -4 2ab","113","","","","- Ca2 Co O7 Si2 -","- Ca2 Co O7 Si2 -","- Ca4 Co2 O14 Si4 -","2","0.25","","Kusaka, K.; Hagiya, K.; Ohmasa, M.; Okano, Y.; Mukai, M.; Iishi, K.; Haga, N.","Determination of structures of Ca2CoSi2O7, Ca2MgSi2O7, and Ca2(Mg.55Fe.45)Si2O7 in incommensurate and normal phases and observation of diffuse streaks at high temperature Sample: T = 468 K Melilite group","Physics and Chemistry of Minerals","2001","28","","150","166","10.1007/s002690000147","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:03","" "9006929","7.859","","7.859","","5.026","","90","","90","","90","","310.425","","","","493","","","","","","","","","4","P -4 21 m","P -4 2ab","113","","","","- Ca2 Co O7 Si2 -","- Ca2 Co O7 Si2 -","- Ca4 Co2 O14 Si4 -","2","0.25","","Kusaka, K.; Hagiya, K.; Ohmasa, M.; Okano, Y.; Mukai, M.; Iishi, K.; Haga, N.","Determination of structures of Ca2CoSi2O7, Ca2MgSi2O7, and Ca2(Mg.55Fe.45)Si2O7 in incommensurate and normal phases and observation of diffuse streaks at high temperature Sample: T = 493 K Melilite group","Physics and Chemistry of Minerals","2001","28","","150","166","10.1007/s002690000147","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:03","" "9006930","7.8591","","7.8591","","5.0258","","90","","90","","90","","310.421","","","","503","","","","","","","","","4","P -4 21 m","P -4 2ab","113","","","","- Ca2 Co O7 Si2 -","- Ca2 Co O7 Si2 -","- Ca4 Co2 O14 Si4 -","2","0.25","","Kusaka, K.; Hagiya, K.; Ohmasa, M.; Okano, Y.; Mukai, M.; Iishi, K.; Haga, N.","Determination of structures of Ca2CoSi2O7, Ca2MgSi2O7, and Ca2(Mg.55Fe.45)Si2O7 in incommensurate and normal phases and observation of diffuse streaks at high temperature Sample: T = 503 K Melilite group","Physics and Chemistry of Minerals","2001","28","","150","166","10.1007/s002690000147","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:03","" "9006931","7.8615","","7.8615","","5.0268","","90","","90","","90","","310.672","","","","533","","","","","","","","","4","P -4 21 m","P -4 2ab","113","","","","- Ca2 Co O7 Si2 -","- Ca2 Co O7 Si2 -","- Ca4 Co2 O14 Si4 -","2","0.25","","Kusaka, K.; Hagiya, K.; Ohmasa, M.; Okano, Y.; Mukai, M.; Iishi, K.; Haga, N.","Determination of structures of Ca2CoSi2O7, Ca2MgSi2O7, and Ca2(Mg.55Fe.45)Si2O7 in incommensurate and normal phases and observation of diffuse streaks at high temperature Sample: T = 533 K Melilite group","Physics and Chemistry of Minerals","2001","28","","150","166","10.1007/s002690000147","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:03","" "9006932","7.8656","","7.8656","","5.0289","","90","","90","","90","","311.126","","","","573","","","","","","","","","4","P -4 21 m","P -4 2ab","113","","","","- Ca2 Co O7 Si2 -","- Ca2 Co O7 Si2 -","- Ca4 Co2 O14 Si4 -","2","0.25","","Kusaka, K.; Hagiya, K.; Ohmasa, M.; Okano, Y.; Mukai, M.; Iishi, K.; Haga, N.","Determination of structures of Ca2CoSi2O7, Ca2MgSi2O7, and Ca2(Mg.55Fe.45)Si2O7 in incommensurate and normal phases and observation of diffuse streaks at high temperature Sample: T = 573 K Melilite group","Physics and Chemistry of Minerals","2001","28","","150","166","10.1007/s002690000147","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:03","" "9006933","7.8732","","7.8732","","5.0336","","90","","90","","90","","312.019","","","","673","","","","","","","","","4","P -4 21 m","P -4 2ab","113","","","","- Ca2 Co O7 Si2 -","- Ca2 Co O7 Si2 -","- Ca4 Co2 O14 Si4 -","2","0.25","","Kusaka, K.; Hagiya, K.; Ohmasa, M.; Okano, Y.; Mukai, M.; Iishi, K.; Haga, N.","Determination of structures of Ca2CoSi2O7, Ca2MgSi2O7, and Ca2(Mg.55Fe.45)Si2O7 in incommensurate and normal phases and observation of diffuse streaks at high temperature Sample: T = 673 K Melilite group","Physics and Chemistry of Minerals","2001","28","","150","166","10.1007/s002690000147","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:03","" "9006934","7.8815","","7.8815","","5.0387","","90","","90","","90","","312.994","","","","773","","","","","","","","","4","P -4 21 m","P -4 2ab","113","","","","- Ca2 Co O7 Si2 -","- Ca2 Co O7 Si2 -","- Ca4 Co2 O14 Si4 -","2","0.25","","Kusaka, K.; Hagiya, K.; Ohmasa, M.; Okano, Y.; Mukai, M.; Iishi, K.; Haga, N.","Determination of structures of Ca2CoSi2O7, Ca2MgSi2O7, and Ca2(Mg.55Fe.45)Si2O7 in incommensurate and normal phases and observation of diffuse streaks at high temperature Sample: T = 773 K Melilite group","Physics and Chemistry of Minerals","2001","28","","150","166","10.1007/s002690000147","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:03","" "9006935","7.8348","","7.8348","","5.0087","","90","","90","","90","","307.454","","","","297","","","","","","","","","4","P -4 21 m","P -4 2ab","113","","","Akermanite","- Ca2 Mg O7 Si2 -","- Ca2 Mg O7 Si2 -","- Ca4 Mg2 O14 Si4 -","2","0.25","","Kusaka, K.; Hagiya, K.; Ohmasa, M.; Okano, Y.; Mukai, M.; Iishi, K.; Haga, N.","Determination of structures of Ca2CoSi2O7, Ca2MgSi2O7, and Ca2(Mg.55Fe.45)Si2O7 in incommensurate and normal phases and observation of diffuse streaks at high temperature Sample: T = 297 K Melilite group","Physics and Chemistry of Minerals","2001","28","","150","166","10.1007/s002690000147","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:03","" "9006936","7.8387","","7.8387","","5.0079","","90","","90","","90","","307.712","","","","348","","","","","","","","","4","P -4 21 m","P -4 2ab","113","","","Akermanite","- Ca2 Mg O7 Si2 -","- Ca2 Mg O7 Si2 -","- Ca4 Mg2 O14 Si4 -","2","0.25","","Kusaka, K.; Hagiya, K.; Ohmasa, M.; Okano, Y.; Mukai, M.; Iishi, K.; Haga, N.","Determination of structures of Ca2CoSi2O7, Ca2MgSi2O7, and Ca2(Mg.55Fe.45)Si2O7 in incommensurate and normal phases and observation of diffuse streaks at high temperature Sample: T = 348 K Melilite group","Physics and Chemistry of Minerals","2001","28","","150","166","10.1007/s002690000147","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:03","" "9006937","7.8387","","7.8387","","5.0072","","90","","90","","90","","307.668","","","","359.4","","","","","","","","","4","P -4 21 m","P -4 2ab","113","","","Akermanite","- Ca2 Mg O7 Si2 -","- Ca2 Mg O7 Si2 -","- Ca4 Mg2 O14 Si4 -","2","0.25","","Kusaka, K.; Hagiya, K.; Ohmasa, M.; Okano, Y.; Mukai, M.; Iishi, K.; Haga, N.","Determination of structures of Ca2CoSi2O7, Ca2MgSi2O7, and Ca2(Mg.55Fe.45)Si2O7 in incommensurate and normal phases and observation of diffuse streaks at high temperature Sample: T = 359.4 K Melilite group","Physics and Chemistry of Minerals","2001","28","","150","166","10.1007/s002690000147","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:03","" "9006938","7.8398","","7.8398","","5.0058","","90","","90","","90","","307.669","","","","359.7","","","","","","","","","4","P -4 21 m","P -4 2ab","113","","","Akermanite","- Ca2 Mg O7 Si2 -","- Ca2 Mg O7 Si2 -","- Ca4 Mg2 O14 Si4 -","2","0.25","","Kusaka, K.; Hagiya, K.; Ohmasa, M.; Okano, Y.; Mukai, M.; Iishi, K.; Haga, N.","Determination of structures of Ca2CoSi2O7, Ca2MgSi2O7, and Ca2(Mg.55Fe.45)Si2O7 in incommensurate and normal phases and observation of diffuse streaks at high temperature Sample: T = 359.7 K Melilite group","Physics and Chemistry of Minerals","2001","28","","150","166","10.1007/s002690000147","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:03","" "9006939","7.8436","","7.8436","","5.007","","90","","90","","90","","308.041","","","","413","","","","","","","","","4","P -4 21 m","P -4 2ab","113","","","Akermanite","- Ca2 Mg O7 Si2 -","- Ca2 Mg O7 Si2 -","- Ca4 Mg2 O14 Si4 -","2","0.25","","Kusaka, K.; Hagiya, K.; Ohmasa, M.; Okano, Y.; Mukai, M.; Iishi, K.; Haga, N.","Determination of structures of Ca2CoSi2O7, Ca2MgSi2O7, and Ca2(Mg.55Fe.45)Si2O7 in incommensurate and normal phases and observation of diffuse streaks at high temperature Sample: T = 413 K Melilite group","Physics and Chemistry of Minerals","2001","28","","150","166","10.1007/s002690000147","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:03","" "9006940","7.847","","7.847","","5.0097","","90","","90","","90","","308.474","","","","463","","","","","","","","","4","P -4 21 m","P -4 2ab","113","","","Akermanite","- Ca2 Mg O7 Si2 -","- Ca2 Mg O7 Si2 -","- Ca4 Mg2 O14 Si4 -","2","0.25","","Kusaka, K.; Hagiya, K.; Ohmasa, M.; Okano, Y.; Mukai, M.; Iishi, K.; Haga, N.","Determination of structures of Ca2CoSi2O7, Ca2MgSi2O7, and Ca2(Mg.55Fe.45)Si2O7 in incommensurate and normal phases and observation of diffuse streaks at high temperature Sample: T = 463 K Melilite group","Physics and Chemistry of Minerals","2001","28","","150","166","10.1007/s002690000147","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:03","" "9006941","7.8509","","7.8509","","5.0127","","90","","90","","90","","308.966","","","","513","","","","","","","","","4","P -4 21 m","P -4 2ab","113","","","Akermanite","- Ca2 Mg O7 Si2 -","- Ca2 Mg O7 Si2 -","- Ca4 Mg2 O14 Si4 -","2","0.25","","Kusaka, K.; Hagiya, K.; Ohmasa, M.; Okano, Y.; Mukai, M.; Iishi, K.; Haga, N.","Determination of structures of Ca2CoSi2O7, Ca2MgSi2O7, and Ca2(Mg.55Fe.45)Si2O7 in incommensurate and normal phases and observation of diffuse streaks at high temperature Sample: T = 513 K Melilite group","Physics and Chemistry of Minerals","2001","28","","150","166","10.1007/s002690000147","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:03","" "9006942","7.8679","","7.8679","","5.0144","","90","","90","","90","","310.411","","","","297","","","","","","","","","5","P -4 21 m","P -4 2ab","113","","","","- Ca2 Fe0.45 Mg0.55 O7 Si2 -","- Ca2 Fe0.45 Mg0.55 O7 Si2 -","- Ca4 Fe0.9 Mg1.1 O14 Si4 -","2","0.25","","Kusaka, K.; Hagiya, K.; Ohmasa, M.; Okano, Y.; Mukai, M.; Iishi, K.; Haga, N.","Determination of structures of Ca2CoSi2O7, Ca2MgSi2O7, and Ca2(Mg.55Fe.45)Si2O7 in incommensurate and normal phases and observation of diffuse streaks at high temperature Sample: T = 297 K Melilite group","Physics and Chemistry of Minerals","2001","28","","150","166","10.1007/s002690000147","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:03","" "9006943","7.8743","","7.8743","","5.0155","","90","","90","","90","","310.984","","","","383","","","","","","","","","5","P -4 21 m","P -4 2ab","113","","","","- Ca2 Fe0.45 Mg0.55 O7 Si2 -","- Ca2 Fe0.45 Mg0.55 O7 Si2 -","- Ca4 Fe0.9 Mg1.1 O14 Si4 -","2","0.25","","Kusaka, K.; Hagiya, K.; Ohmasa, M.; Okano, Y.; Mukai, M.; Iishi, K.; Haga, N.","Determination of structures of Ca2CoSi2O7, Ca2MgSi2O7, and Ca2(Mg.55Fe.45)Si2O7 in incommensurate and normal phases and observation of diffuse streaks at high temperature Sample: T = 383 K Melilite group","Physics and Chemistry of Minerals","2001","28","","150","166","10.1007/s002690000147","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:03","" "9006944","7.8776","","7.8776","","5.0153","","90","","90","","90","","311.232","","","","423","","","","","","","","","5","P -4 21 m","P -4 2ab","113","","","","- Ca2 Fe0.45 Mg0.55 O7 Si2 -","- Ca2 Fe0.45 Mg0.55 O7 Si2 -","- Ca4 Fe0.9 Mg1.1 O14 Si4 -","2","0.25","","Kusaka, K.; Hagiya, K.; Ohmasa, M.; Okano, Y.; Mukai, M.; Iishi, K.; Haga, N.","Determination of structures of Ca2CoSi2O7, Ca2MgSi2O7, and Ca2(Mg.55Fe.45)Si2O7 in incommensurate and normal phases and observation of diffuse streaks at high temperature Sample: T = 423 K Melilite group","Physics and Chemistry of Minerals","2001","28","","150","166","10.1007/s002690000147","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:03","" "9006945","7.8868","","7.8868","","5.0171","","90","","90","","90","","312.072","","","","503","","","","","","","","","5","P -4 21 m","P -4 2ab","113","","","","- Ca2 Fe0.45 Mg0.55 O7 Si2 -","- Ca2 Fe0.45 Mg0.55 O7 Si2 -","- Ca4 Fe0.9 Mg1.1 O14 Si4 -","2","0.25","","Kusaka, K.; Hagiya, K.; Ohmasa, M.; Okano, Y.; Mukai, M.; Iishi, K.; Haga, N.","Determination of structures of Ca2CoSi2O7, Ca2MgSi2O7, and Ca2(Mg.55Fe.45)Si2O7 in incommensurate and normal phases and observation of diffuse streaks at high temperature Sample: T = 503 K Melilite group","Physics and Chemistry of Minerals","2001","28","","150","166","10.1007/s002690000147","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:03","" "9006946","7.8855","","7.8855","","5.017","","90","","90","","90","","311.963","","","","523","","","","","","","","","5","P -4 21 m","P -4 2ab","113","","","","- Ca2 Fe0.45 Mg0.55 O7 Si2 -","- Ca2 Fe0.45 Mg0.55 O7 Si2 -","- Ca4 Fe0.9 Mg1.1 O14 Si4 -","2","0.25","","Kusaka, K.; Hagiya, K.; Ohmasa, M.; Okano, Y.; Mukai, M.; Iishi, K.; Haga, N.","Determination of structures of Ca2CoSi2O7, Ca2MgSi2O7, and Ca2(Mg.55Fe.45)Si2O7 in incommensurate and normal phases and observation of diffuse streaks at high temperature Sample: T = 523 K Melilite group","Physics and Chemistry of Minerals","2001","28","","150","166","10.1007/s002690000147","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:03","" "9006947","7.8859","","7.8859","","5.0179","","90","","90","","90","","312.05","","","","543","","","","","","","","","5","P -4 21 m","P -4 2ab","113","","","","- Ca2 Fe0.45 Mg0.55 O7 Si2 -","- Ca2 Fe0.45 Mg0.55 O7 Si2 -","- Ca4 Fe0.9 Mg1.1 O14 Si4 -","2","0.25","","Kusaka, K.; Hagiya, K.; Ohmasa, M.; Okano, Y.; Mukai, M.; Iishi, K.; Haga, N.","Determination of structures of Ca2CoSi2O7, Ca2MgSi2O7, and Ca2(Mg.55Fe.45)Si2O7 in incommensurate and normal phases and observation of diffuse streaks at high temperature Sample: T = 543 K Melilite group","Physics and Chemistry of Minerals","2001","28","","150","166","10.1007/s002690000147","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:03","" "9006948","7.8875","","7.8875","","5.0191","","90","","90","","90","","312.252","","","","573","","","","","","","","","5","P -4 21 m","P -4 2ab","113","","","","- Ca2 Fe0.45 Mg0.55 O7 Si2 -","- Ca2 Fe0.45 Mg0.55 O7 Si2 -","- Ca4 Fe0.9 Mg1.1 O14 Si4 -","2","0.25","","Kusaka, K.; Hagiya, K.; Ohmasa, M.; Okano, Y.; Mukai, M.; Iishi, K.; Haga, N.","Determination of structures of Ca2CoSi2O7, Ca2MgSi2O7, and Ca2(Mg.55Fe.45)Si2O7 in incommensurate and normal phases and observation of diffuse streaks at high temperature Sample: T = 573 K Melilite group","Physics and Chemistry of Minerals","2001","28","","150","166","10.1007/s002690000147","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:03","" "9006949","7.8958","","7.8958","","5.0223","","90","","90","","90","","313.109","","","","673","","","","","","","","","5","P -4 21 m","P -4 2ab","113","","","","- Ca2 Fe0.45 Mg0.55 O7 Si2 -","- Ca2 Fe0.45 Mg0.55 O7 Si2 -","- Ca4 Fe0.9 Mg1.1 O14 Si4 -","2","0.25","","Kusaka, K.; Hagiya, K.; Ohmasa, M.; Okano, Y.; Mukai, M.; Iishi, K.; Haga, N.","Determination of structures of Ca2CoSi2O7, Ca2MgSi2O7, and Ca2(Mg.55Fe.45)Si2O7 in incommensurate and normal phases and observation of diffuse streaks at high temperature Sample: T = 673 K Melilite group","Physics and Chemistry of Minerals","2001","28","","150","166","10.1007/s002690000147","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:03","" "9006950","7.8989","","7.8989","","5.0237","","90","","90","","90","","313.442","","","","773","","","","","","","","","5","P -4 21 m","P -4 2ab","113","","","","- Ca2 Fe0.45 Mg0.55 O7 Si2 -","- Ca2 Fe0.45 Mg0.55 O7 Si2 -","- Ca4 Fe0.9 Mg1.1 O14 Si4 -","2","0.25","","Kusaka, K.; Hagiya, K.; Ohmasa, M.; Okano, Y.; Mukai, M.; Iishi, K.; Haga, N.","Determination of structures of Ca2CoSi2O7, Ca2MgSi2O7, and Ca2(Mg.55Fe.45)Si2O7 in incommensurate and normal phases and observation of diffuse streaks at high temperature Sample: T = 773 K Melilite group","Physics and Chemistry of Minerals","2001","28","","150","166","10.1007/s002690000147","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:03","" "9006951","2.7392","","9.2","","9.283","","90","","90","","90","","233.938","","","","","","","","37300000","","","","","3","P b c m","-P 2c 2b","57","","","","- Fe2 Mg O4 -","- Fe2 Mg O4 -","- Fe8 Mg4 O16 -","4","0.5","","Andrault, D.; Bolfan-Casanova N","High-pressure phase transformations in the MgFe2O4 and Fe2O3-MgSiO3 systems Sample refined as a CaMn2O4-type phase at P = 37.3 GPa","Physics and Chemistry of Minerals","2001","28","","211","217","10.1007/s002690000149","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:03","" "9006952","9.375","","9.375","","6.887","","90","","90","","120","","524.208","","","","","","","","100","","","","","4","P 63/m","-P 6c","176","","","Fluorapatite","- Ca5 F O12 P3 -","- Ca5 F O12 P3 -","- Ca10 F2 O24 P6 -","2","0.166667","","Comodi P; Liu Y; Zanazzi P F; Montagnoli M","Structural and vibrational behaviour of fluorapatite with pressure. Part 1: in situ single-crystal X-ray diffraction investigation Sample: P = .0001 GPa","Physics and Chemistry of Minerals","2001","28","","219","224","10.1007/s002690100154","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:03","" "9006953","9.268","","9.268","","6.834","","90","","90","","120","","508.367","","","","","","","","3040000","","","","","4","P 63/m","-P 6c","176","","","Fluorapatite","- Ca5 F O12 P3 -","- Ca5 F O12 P3 -","- Ca10 F2 O24 P6 -","2","0.166667","","Comodi P; Liu Y; Zanazzi P F; Montagnoli M","Structural and vibrational behaviour of fluorapatite with pressure. Part 1: in situ single-crystal X-ray diffraction investigation Sample: P = 3.04 GPa","Physics and Chemistry of Minerals","2001","28","","219","224","10.1007/s002690100154","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:03","" "9006954","9.224","","9.224","","6.805","","90","","90","","120","","501.415","","","","","","","","4720000","","","","","4","P 63/m","-P 6c","176","","","Fluorapatite","- Ca5 F O12 P3 -","- Ca5 F O12 P3 -","- Ca10 F2 O24 P6 -","2","0.166667","","Comodi P; Liu Y; Zanazzi P F; Montagnoli M","Structural and vibrational behaviour of fluorapatite with pressure. Part 1: in situ single-crystal X-ray diffraction investigation Sample: P = 4.72 GPa","Physics and Chemistry of Minerals","2001","28","","219","224","10.1007/s002690100154","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:03","" "9006955","5.3607","","5.4873","","7.6662","","90","","90","","90","","225.507","","","","","","","","","","","","","3","P b n m","-P 2c 2ab","62","","","Neighborite","- F3 Mg Na -","- F3 Mg Na -","- F12 Mg4 Na4 -","4","0.5","","Chakhmouradian, A. R.; Ross, K.; Mitchell, R. H.; Swainson, I.","The crystal chemistry of synthetic potassium-bearing neighborite, (Na1-xKx)MgF3 Sample studied by X-ray diffraction","Physics and Chemistry of Minerals","2001","28","","277","284","10.1007/s002690100151","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:03","" "9006956","5.365","","5.492","","7.674","","90","","90","","90","","226.111","","","","","","","","","","","","","3","P b n m","-P 2c 2ab","62","","","Neighborite","- F3 Mg Na -","- F3 Mg Na -","- F12 Mg4 Na4 -","4","0.5","","Chakhmouradian, A. R.; Ross, K.; Mitchell, R. H.; Swainson, I.","The crystal chemistry of synthetic potassium-bearing neighborite, (Na1-xKx)MgF3 Sample studied by neutron diffraction","Physics and Chemistry of Minerals","2001","28","","277","284","10.1007/s002690100151","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:03","" "9006957","5.4486","","5.5101","","7.7623","","90","","90","","90","","233.042","","","","","","","","","","","","","4","P b n m","-P 2c 2ab","62","","","Neighborite","- F3 K0.18 Mg Na0.82 -","- F3 K0.18 Mg Na0.82 -","- F12 K0.72 Mg4 Na3.28 -","4","0.5","","Chakhmouradian, A. R.; Ross, K.; Mitchell, R. H.; Swainson, I.","The crystal chemistry of synthetic potassium-bearing neighborite, (Na1-xKx)MgF3 Sample studied by X-ray diffraction, x = .18","Physics and Chemistry of Minerals","2001","28","","277","284","10.1007/s002690100151","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:03","" "9006958","5.566","","5.566","","3.953","","90","","90","","90","","122.465","","","","","","","","","","","","","4","P 4/m b m","-P 4 2ab","127","","","Neighborite","- F3 K0.5 Mg Na0.5 -","- F3 K0.5 Mg Na0.5 -","- F6 K Mg2 Na -","2","0.125","","Chakhmouradian, A. R.; Ross, K.; Mitchell, R. H.; Swainson, I.","The crystal chemistry of synthetic potassium-bearing neighborite, (Na1-xKx)MgF3 Sample studied by neutron diffraction, x = .5 One of two alternative models","Physics and Chemistry of Minerals","2001","28","","277","284","10.1007/s002690100151","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:03","" "9006959","3.9354","","3.9354","","3.9354","","90","","90","","90","","60.949","","","","","","","","","","","","","4","P m -3 m","-P 4 2 3","221","","","Neighborite","- F3 K0.5 Mg Na0.5 -","- F3 K0.5 Mg Na0.5 -","- F3 K0.5 Mg Na0.5 -","1","0.0208333","","Chakhmouradian, A. R.; Ross, K.; Mitchell, R. H.; Swainson, I.","The crystal chemistry of synthetic potassium-bearing neighborite, (Na1-xKx)MgF3 Sample studied by neutron diffraction, x = .5 One of two alternative models","Physics and Chemistry of Minerals","2001","28","","277","284","10.1007/s002690100151","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:03","" "9006960","3.9494","","3.9492","","3.9492","","90","","90","","90","","61.596","","","","","","","","","","","","","4","P m -3 m","-P 4 2 3","221","","","","- F3 K0.56 Mg Na0.44 -","- F3 K0.56 Mg Na0.44 -","- F3 K0.56 Mg Na0.44 -","1","0.0208333","","Chakhmouradian, A. R.; Ross, K.; Mitchell, R. H.; Swainson, I.","The crystal chemistry of synthetic potassium-bearing neighborite, (Na1-xKx)MgF3 Sample x = .56","Physics and Chemistry of Minerals","2001","28","","277","284","10.1007/s002690100151","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:03","" "9006961","3.9545","","3.9545","","3.9545","","90","","90","","90","","61.841","","","","","","","","","","","","","4","P m -3 m","-P 4 2 3","221","","","","- F3 K0.6 Mg Na0.4 -","- F3 K0.6 Mg Na0.4 -","- F3 K0.6 Mg Na0.4 -","1","0.0208333","","Chakhmouradian, A. R.; Ross, K.; Mitchell, R. H.; Swainson, I.","The crystal chemistry of synthetic potassium-bearing neighborite, (Na1-xKx)MgF3 Sample x = .60","Physics and Chemistry of Minerals","2001","28","","277","284","10.1007/s002690100151","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:03","" "9006962","3.9622","","3.9622","","3.9622","","90","","90","","90","","62.203","","","","","","","","","","","","","4","P m -3 m","-P 4 2 3","221","","","","- F3 K0.67 Mg Na0.33 -","- F3 K0.67 Mg Na0.33 -","- F3 K0.67 Mg Na0.33 -","1","0.0208333","","Chakhmouradian, A. R.; Ross, K.; Mitchell, R. H.; Swainson, I.","The crystal chemistry of synthetic potassium-bearing neighborite, (Na1-xKx)MgF3 Sample x = .67","Physics and Chemistry of Minerals","2001","28","","277","284","10.1007/s002690100151","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:03","" "9006963","3.9659","","3.9659","","3.9659","","90","","90","","90","","62.377","","","","","","","","","","","","","4","P m -3 m","-P 4 2 3","221","","","","- F3 K0.7 Mg Na0.3 -","- F3 K0.7 Mg Na0.3 -","- F3 K0.7 Mg Na0.3 -","1","0.0208333","","Chakhmouradian, A. R.; Ross, K.; Mitchell, R. H.; Swainson, I.","The crystal chemistry of synthetic potassium-bearing neighborite, (Na1-xKx)MgF3 Sample x = .70","Physics and Chemistry of Minerals","2001","28","","277","284","10.1007/s002690100151","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:03","" "9006964","3.9742","","3.9742","","3.9742","","90","","90","","90","","62.77","","","","","","","","","","","","","4","P m -3 m","-P 4 2 3","221","","","","- F3 K0.78 Mg Na0.22 -","- F3 K0.78 Mg Na0.22 -","- F3 K0.78 Mg Na0.22 -","1","0.0208333","","Chakhmouradian, A. R.; Ross, K.; Mitchell, R. H.; Swainson, I.","The crystal chemistry of synthetic potassium-bearing neighborite, (Na1-xKx)MgF3 Sample x = .78","Physics and Chemistry of Minerals","2001","28","","277","284","10.1007/s002690100151","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:03","" "9006965","3.9824","","3.9824","","3.9824","","90","","90","","90","","63.159","","","","","","","","","","","","","4","P m -3 m","-P 4 2 3","221","","","","- F3 K0.89 Mg Na0.11 -","- F3 K0.89 Mg Na0.11 -","- F3 K0.89 Mg Na0.11 -","1","0.0208333","","Chakhmouradian, A. R.; Ross, K.; Mitchell, R. H.; Swainson, I.","The crystal chemistry of synthetic potassium-bearing neighborite, (Na1-xKx)MgF3 Sample x = .89","Physics and Chemistry of Minerals","2001","28","","277","284","10.1007/s002690100151","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:03","" "9006966","3.9897","","3.9897","","3.9897","","90","","90","","90","","63.507","","","","","","","","","","","","","3","P m -3 m","-P 4 2 3","221","","","","- F3 K Mg -","- F3 K Mg -","- F3 K Mg -","1","0.0208333","","Chakhmouradian, A. R.; Ross, K.; Mitchell, R. H.; Swainson, I.","The crystal chemistry of synthetic potassium-bearing neighborite, (Na1-xKx)MgF3 Sample x = 1.00","Physics and Chemistry of Minerals","2001","28","","277","284","10.1007/s002690100151","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:03","" "9006967","8.756","","5.0108","","8.2153","","90","","90.2825","","90","","360.438","","","","423.15","","","","","","","","","2","C 1 21 1","","","","","Tridymite","- O2 Si -","- O2 Si -","- O16 Si8 -","8","","","Graetsch, H.","X-ray powder diffraction study on the modulated high temperature forms of SiO2 tridymite between 110 and 220 C Sample: T = 150 C Locality: synthetic","Physics and Chemistry of Minerals","2001","28","","313","321","10.1007/s002690100160","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:03","" "9006968","26.1753","","4.98437","","8.2006","","90","","90","","90","","1069.91","","","","388.15","","","","","","","","Synthetic","2","P 21 21 21","P 2ac 2ab","19","","","Tridymite","- O2 Si -","- O2 Si -","- O48 Si24 -","24","6","","Graetsch, H.","X-ray powder diffraction study on the modulated high temperature forms of SiO2 tridymite between 110 and 220 C Sample: superstructure, T = 115 C","Physics and Chemistry of Minerals","2001","28","","313","321","10.1007/s002690100160","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:03","" "9006969","9.6223","","8.6638","","5.2655","","90","","109.95","","90","","412.62","","","","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- Fe Li O6 Si2 -","- Fe Li O6 Si2 -","- Fe4 Li4 O24 Si8 -","4","1","","Redhammer, G. J.; Roth, G.; Paulus, W.; Andre, G.; Lottermoser, W.; Amthauer, G.; Treutmann, W.; Koppelhuber-Bitschnau B","The crystal and magnetic structure of Li-aegirine LiFeSi2O6: a temperature-dependent study Sample: T = 100 K Pyroxene","Physics and Chemistry of Minerals","2001","28","","337","346","10.1007/s002690100159","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:03","" "9006970","9.635","","8.665","","5.275","","90","","110","","90","","413.836","","","","200","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- Fe Li O6 Si2 -","- Fe Li O6 Si2 -","- Fe4 Li4 O24 Si8 -","4","1","","Redhammer, G. J.; Roth, G.; Paulus, W.; Andre, G.; Lottermoser, W.; Amthauer, G.; Treutmann, W.; Koppelhuber-Bitschnau B","The crystal and magnetic structure of Li-aegirine LiFeSi2O6: a temperature-dependent study Sample: T = 200 K Pyroxene","Physics and Chemistry of Minerals","2001","28","","337","346","10.1007/s002690100159","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:03","" "9006971","9.684","","8.661","","5.292","","90","","110.12","","90","","416.77","","","","298","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- Fe Li O6 Si2 -","- Fe Li O6 Si2 -","- Fe4 Li4 O24 Si8 -","4","0.5","","Redhammer, G. J.; Roth, G.; Paulus, W.; Andre, G.; Lottermoser, W.; Amthauer, G.; Treutmann, W.; Koppelhuber-Bitschnau B","The crystal and magnetic structure of Li-aegirine LiFeSi2O6: a temperature-dependent study Sample: T = 298 K Pyroxene","Physics and Chemistry of Minerals","2001","28","","337","346","10.1007/s002690100159","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:03","" "9006972","4.61865","","4.61865","","6.97882","","90","","90","","90","","148.872","","","","","","","","","","","","","3","I -4 2 d","I -4 2bw","122","","","","- N O P -","- N O P -","- N4 O4 P4 -","4","0.25","","Leger, J. M.; Haines, J.; Chateau, C.; Bocquillon, G.; Schmidt, M. W.; Hull, S.; Gorelli, F.; Lesauze, A.; Marchand, R.","Phosphorus oxynitride PON, a silica analogue: structure and compression of the cristobalite-like phase; P-T phase diagram Note: cristobalite structure type","Physics and Chemistry of Minerals","2001","28","","388","398","10.1007/s002690100161","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:03","" "9006973","4.757","","4.757","","5.246","","90","","90","","120","","102.808","","","","","","","","","","","","","3","P 32 2 1","","","","","","- N O P -","- N O P -","- N3 O3 P3 -","3","0.5","","Leger, J. M.; Haines, J.; Chateau, C.; Bocquillon, G.; Schmidt, M. W.; Hull, S.; Gorelli, F.; Lesauze, A.; Marchand, R.","Phosphorus oxynitride PON, a silica analogue: structure and compression of the cristobalite-like phase; P-T phase diagram Note: quartz structure type","Physics and Chemistry of Minerals","2001","28","","388","398","10.1007/s002690100161","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:03","" "9006974","5.07894","","5.07894","","13.9269","","90","","90","","120","","311.122","","","","476.15","","","","","","","","","3","R -3 :H","-R 3","148","","","Ilmenite","- Fe1.4 O3 Ti0.6 -","- Fe1.4 O3 Ti0.6 -","- Fe8.4 O18 Ti3.6 -","6","0.333333","","Harrison, R. J.; Redfern, S. A. T.","Short- and long-range ordering in the ilmenite-hematite solid solution Sample: ilm60, T = 203 C","Physics and Chemistry of Minerals","2001","28","","399","412","10.1007/s002690100167","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:03","" "9006975","5.0845","","5.0845","","13.9353","","90","","90","","120","","311.992","","","","571.15","","","","","","","","","3","R -3 :H","-R 3","148","","","Ilmenite","- Fe1.4 O3 Ti0.6 -","- Fe1.4 O3 Ti0.6 -","- Fe8.4 O18 Ti3.6 -","6","0.333333","","Harrison, R. J.; Redfern, S. A. T.","Short- and long-range ordering in the ilmenite-hematite solid solution Sample: ilm60, T = 298 C","Physics and Chemistry of Minerals","2001","28","","399","412","10.1007/s002690100167","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:03","" "9006976","5.09101","","5.09101","","13.9543","","90","","90","","120","","313.218","","","","672.15","","","","","","","","","3","R -3 :H","-R 3","148","","","Ilmenite","- Fe1.4 O3 Ti0.6 -","- Fe1.4 O3 Ti0.6 -","- Fe8.4 O18 Ti3.6 -","6","0.333333","","Harrison, R. J.; Redfern, S. A. T.","Short- and long-range ordering in the ilmenite-hematite solid solution Sample: ilm60, T = 399 C","Physics and Chemistry of Minerals","2001","28","","399","412","10.1007/s002690100167","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:03","" "9006977","5.09641","","5.09641","","13.9695","","90","","90","","120","","314.225","","","","771.15","","","","","","","","","3","R -3 :H","-R 3","148","","","Ilmenite","- Fe1.4 O3 Ti0.6 -","- Fe1.4 O3 Ti0.6 -","- Fe8.4 O18 Ti3.6 -","6","0.333333","","Harrison, R. J.; Redfern, S. A. T.","Short- and long-range ordering in the ilmenite-hematite solid solution Sample: ilm60, T = 498 C","Physics and Chemistry of Minerals","2001","28","","399","412","10.1007/s002690100167","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:03","" "9006978","5.09689","","5.09689","","13.9709","","90","","90","","120","","314.315","","","","779.15","","","","","","","","","3","R -3 :H","-R 3","148","","","Ilmenite","- Fe1.4 O3 Ti0.6 -","- Fe1.4 O3 Ti0.6 -","- Fe8.4 O18 Ti3.6 -","6","0.333333","","Harrison, R. J.; Redfern, S. A. T.","Short- and long-range ordering in the ilmenite-hematite solid solution Sample: ilm60, T = 506 C","Physics and Chemistry of Minerals","2001","28","","399","412","10.1007/s002690100167","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:03","" "9006979","5.10042","","5.10042","","13.9775","","90","","90","","120","","314.9","","","","822.15","","","","","","","","","3","R -3 :H","-R 3","148","","","Ilmenite","- Fe1.4 O3 Ti0.6 -","- Fe1.4 O3 Ti0.6 -","- Fe8.4 O18 Ti3.6 -","6","0.333333","","Harrison, R. J.; Redfern, S. A. T.","Short- and long-range ordering in the ilmenite-hematite solid solution Sample: ilm60, T = 549 C","Physics and Chemistry of Minerals","2001","28","","399","412","10.1007/s002690100167","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:03","" "9006980","5.10401","","5.10401","","13.9829","","90","","90","","120","","315.465","","","","871.15","","","","","","","","","3","R -3 :H","-R 3","148","","","Ilmenite","- Fe1.4 O3 Ti0.6 -","- Fe1.4 O3 Ti0.6 -","- Fe8.4 O18 Ti3.6 -","6","0.333333","","Harrison, R. J.; Redfern, S. A. T.","Short- and long-range ordering in the ilmenite-hematite solid solution Sample: ilm60, T = 598 C","Physics and Chemistry of Minerals","2001","28","","399","412","10.1007/s002690100167","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:03","" "9006981","5.10777","","5.10777","","13.9886","","90","","90","","120","","316.059","","","","920.15","","","","","","","","","3","R -3 :H","-R 3","148","","","Ilmenite","- Fe1.4 O3 Ti0.6 -","- Fe1.4 O3 Ti0.6 -","- Fe8.4 O18 Ti3.6 -","6","0.333333","","Harrison, R. J.; Redfern, S. A. T.","Short- and long-range ordering in the ilmenite-hematite solid solution Sample: ilm60, T = 647 C","Physics and Chemistry of Minerals","2001","28","","399","412","10.1007/s002690100167","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:03","" "9006982","5.11145","","5.11145","","13.9938","","90","","90","","120","","316.632","","","","970.15","","","","","","","","","3","R -3 :H","-R 3","148","","","Ilmenite","- Fe1.4 O3 Ti0.6 -","- Fe1.4 O3 Ti0.6 -","- Fe8.4 O18 Ti3.6 -","6","0.333333","","Harrison, R. J.; Redfern, S. A. T.","Short- and long-range ordering in the ilmenite-hematite solid solution Sample: ilm60, T = 697 C","Physics and Chemistry of Minerals","2001","28","","399","412","10.1007/s002690100167","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:03","" "9006983","5.1131","","5.1131","","13.9964","","90","","90","","120","","316.895","","","","994.15","","","","","","","","","3","R -3 :H","-R 3","148","","","Ilmenite","- Fe1.4 O3 Ti0.6 -","- Fe1.4 O3 Ti0.6 -","- Fe8.4 O18 Ti3.6 -","6","0.333333","","Harrison, R. J.; Redfern, S. A. T.","Short- and long-range ordering in the ilmenite-hematite solid solution Sample: ilm60, T = 721 C","Physics and Chemistry of Minerals","2001","28","","399","412","10.1007/s002690100167","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:03","" "9006984","5.11492","","5.11492","","13.9982","","90","","90","","120","","317.162","","","","1018.15","","","","","","","","","3","R -3 :H","-R 3","148","","","Ilmenite","- Fe1.4 O3 Ti0.6 -","- Fe1.4 O3 Ti0.6 -","- Fe8.4 O18 Ti3.6 -","6","0.333333","","Harrison, R. J.; Redfern, S. A. T.","Short- and long-range ordering in the ilmenite-hematite solid solution Sample: ilm60, T = 745 C","Physics and Chemistry of Minerals","2001","28","","399","412","10.1007/s002690100167","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:03","" "9006985","5.11667","","5.11667","","14.0008","","90","","90","","120","","317.438","","","","1042.15","","","","","","","","","3","R -3 :H","-R 3","148","","","Ilmenite","- Fe1.4 O3 Ti0.6 -","- Fe1.4 O3 Ti0.6 -","- Fe8.4 O18 Ti3.6 -","6","0.333333","","Harrison, R. J.; Redfern, S. A. T.","Short- and long-range ordering in the ilmenite-hematite solid solution Sample: ilm60, T = 769 C","Physics and Chemistry of Minerals","2001","28","","399","412","10.1007/s002690100167","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:03","" "9006986","5.11842","","5.11842","","14.0031","","90","","90","","120","","317.707","","","","1066.15","","","","","","","","","3","R -3 :H","-R 3","148","","","Ilmenite","- Fe1.4 O3 Ti0.6 -","- Fe1.4 O3 Ti0.6 -","- Fe8.4 O18 Ti3.6 -","6","0.333333","","Harrison, R. J.; Redfern, S. A. T.","Short- and long-range ordering in the ilmenite-hematite solid solution Sample: ilm60, T = 793 C","Physics and Chemistry of Minerals","2001","28","","399","412","10.1007/s002690100167","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:03","" "9006987","5.12049","","5.12049","","14.0057","","90","","90","","120","","318.023","","","","1091.15","","","","","","","","","3","R -3 c :H","-R 3 2""c","167","","","Ilmenite","- Fe1.4 O3 Ti0.6 -","- Fe1.4 O3 Ti0.6 -","- Fe8.4 O18 Ti3.6 -","6","0.166667","","Harrison, R. J.; Redfern, S. A. T.","Short- and long-range ordering in the ilmenite-hematite solid solution Sample: ilm60, T = 818 C","Physics and Chemistry of Minerals","2001","28","","399","412","10.1007/s002690100167","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:03","" "9006988","5.12187","","5.12187","","14.0077","","90","","90","","120","","318.24","","","","1117.15","","","","","","","","","3","R -3 c :H","-R 3 2""c","167","","","Ilmenite","- Fe1.4 O3 Ti0.6 -","- Fe1.4 O3 Ti0.6 -","- Fe8.4 O18 Ti3.6 -","6","0.166667","","Harrison, R. J.; Redfern, S. A. T.","Short- and long-range ordering in the ilmenite-hematite solid solution Sample: ilm60, T = 844 C","Physics and Chemistry of Minerals","2001","28","","399","412","10.1007/s002690100167","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:03","" "9006989","5.1271","","5.1271","","14.0198","","90","","90","","120","","319.166","","","","1194.15","","","","","","","","","3","R -3 c :H","-R 3 2""c","167","","","Ilmenite","- Fe1.4 O3 Ti0.6 -","- Fe1.4 O3 Ti0.6 -","- Fe8.4 O18 Ti3.6 -","6","0.166667","","Harrison, R. J.; Redfern, S. A. T.","Short- and long-range ordering in the ilmenite-hematite solid solution Sample: ilm60, T = 921 C","Physics and Chemistry of Minerals","2001","28","","399","412","10.1007/s002690100167","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:03","" "9006990","5.13219","","5.13219","","14.0326","","90","","90","","120","","320.092","","","","1272.15","","","","","","","","","3","R -3 c :H","-R 3 2""c","167","","","Ilmenite","- Fe1.4 O3 Ti0.6 -","- Fe1.4 O3 Ti0.6 -","- Fe8.4 O18 Ti3.6 -","6","0.166667","","Harrison, R. J.; Redfern, S. A. T.","Short- and long-range ordering in the ilmenite-hematite solid solution Sample: ilm60, T = 999 C","Physics and Chemistry of Minerals","2001","28","","399","412","10.1007/s002690100167","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:03","" "9006991","5.1188","","5.1188","","14.002","","90","","90","","120","","317.729","","","","1068.15","","","","","","","","","3","R -3 :H","-R 3","148","","","Ilmenite","- Fe1.4 O3 Ti0.6 -","- Fe1.4 O3 Ti0.6 -","- Fe8.4 O18 Ti3.6 -","6","0.333333","","Harrison, R. J.; Redfern, S. A. T.","Short- and long-range ordering in the ilmenite-hematite solid solution Sample: ilm60, T = 795 C","Physics and Chemistry of Minerals","2001","28","","399","412","10.1007/s002690100167","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:03","" "9006992","5.10615","","5.10615","","13.9817","","90","","90","","120","","315.702","","","","867.15","","","","","","","","","3","R -3 :H","-R 3","148","","","Ilmenite","- Fe1.4 O3 Ti0.6 -","- Fe1.4 O3 Ti0.6 -","- Fe8.4 O18 Ti3.6 -","6","0.333333","","Harrison, R. J.; Redfern, S. A. T.","Short- and long-range ordering in the ilmenite-hematite solid solution Sample: ilm60, T = 594 C","Physics and Chemistry of Minerals","2001","28","","399","412","10.1007/s002690100167","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:03","" "9006993","5.09407","","5.09407","","13.9592","","90","","90","","120","","313.705","","","","665.15","","","","","","","","","3","R -3 :H","-R 3","148","","","Ilmenite","- Fe1.4 O3 Ti0.6 -","- Fe1.4 O3 Ti0.6 -","- Fe8.4 O18 Ti3.6 -","6","0.333333","","Harrison, R. J.; Redfern, S. A. T.","Short- and long-range ordering in the ilmenite-hematite solid solution Sample: ilm60, T = 392 C","Physics and Chemistry of Minerals","2001","28","","399","412","10.1007/s002690100167","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:03","" "9006994","5.08205","","5.08205","","13.939","","90","","90","","120","","311.774","","","","476.15","","","","","","","","","3","R -3 :H","-R 3","148","","","Ilmenite","- Fe1.4 O3 Ti0.6 -","- Fe1.4 O3 Ti0.6 -","- Fe8.4 O18 Ti3.6 -","6","0.333333","","Harrison, R. J.; Redfern, S. A. T.","Short- and long-range ordering in the ilmenite-hematite solid solution Sample: ilm60, T = 203 C","Physics and Chemistry of Minerals","2001","28","","399","412","10.1007/s002690100167","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:03","" "9006995","5.08175","","5.08175","","13.9383","","90","","90","","120","","311.722","","","","482.15","","","","","","","","","3","R -3 :H","-R 3","148","","","Ilmenite","- Fe1.35 O3 Ti0.65 -","- Fe1.35 O3 Ti0.65 -","- Fe8.1 O18 Ti3.9 -","6","0.333333","","Harrison, R. J.; Redfern, S. A. T.","Short- and long-range ordering in the ilmenite-hematite solid solution Sample: ilm65, T = 209 C","Physics and Chemistry of Minerals","2001","28","","399","412","10.1007/s002690100167","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:03","" "9006996","5.08755","","5.08755","","13.9485","","90","","90","","120","","312.662","","","","574.15","","","","","","","","","3","R -3 :H","-R 3","148","","","Ilmenite","- Fe1.35 O3 Ti0.65 -","- Fe1.35 O3 Ti0.65 -","- Fe8.1 O18 Ti3.9 -","6","0.333333","","Harrison, R. J.; Redfern, S. A. T.","Short- and long-range ordering in the ilmenite-hematite solid solution Sample: ilm65, T = 301 C","Physics and Chemistry of Minerals","2001","28","","399","412","10.1007/s002690100167","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:03","" "9006997","5.09392","","5.09392","","13.9672","","90","","90","","120","","313.866","","","","671.15","","","","","","","","","3","R -3 :H","-R 3","148","","","Ilmenite","- Fe1.35 O3 Ti0.65 -","- Fe1.35 O3 Ti0.65 -","- Fe8.1 O18 Ti3.9 -","6","0.333333","","Harrison, R. J.; Redfern, S. A. T.","Short- and long-range ordering in the ilmenite-hematite solid solution Sample: ilm65, T = 398 C","Physics and Chemistry of Minerals","2001","28","","399","412","10.1007/s002690100167","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:03","" "9006998","5.09968","","5.09968","","13.9803","","90","","90","","120","","314.871","","","","770.15","","","","","","","","","3","R -3 :H","-R 3","148","","","Ilmenite","- Fe1.35 O3 Ti0.65 -","- Fe1.35 O3 Ti0.65 -","- Fe8.1 O18 Ti3.9 -","6","0.333333","","Harrison, R. J.; Redfern, S. A. T.","Short- and long-range ordering in the ilmenite-hematite solid solution Sample: ilm65, T = 497 C","Physics and Chemistry of Minerals","2001","28","","399","412","10.1007/s002690100167","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:03","" "9006999","5.10668","","5.10668","","13.9928","","90","","90","","120","","316.019","","","","870.15","","","","","","","","","3","R -3 :H","-R 3","148","","","Ilmenite","- Fe1.35 O3 Ti0.65 -","- Fe1.35 O3 Ti0.65 -","- Fe8.1 O18 Ti3.9 -","6","0.333333","","Harrison, R. J.; Redfern, S. A. T.","Short- and long-range ordering in the ilmenite-hematite solid solution Sample: ilm65, T = 597 C","Physics and Chemistry of Minerals","2001","28","","399","412","10.1007/s002690100167","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:03","" "9007000","5.11451","","5.11451","","14.0061","","90","","90","","120","","317.29","","","","970.15","","","","","","","","","3","R -3 :H","-R 3","148","","","Ilmenite","- Fe1.35 O3 Ti0.65 -","- Fe1.35 O3 Ti0.65 -","- Fe8.1 O18 Ti3.9 -","6","0.333333","","Harrison, R. J.; Redfern, S. A. T.","Short- and long-range ordering in the ilmenite-hematite solid solution Sample: ilm65, T = 697 C","Physics and Chemistry of Minerals","2001","28","","399","412","10.1007/s002690100167","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:03","" "9007001","5.11897","","5.11897","","14.0135","","90","","90","","120","","318.011","","","","1018.15","","","","","","","","","3","R -3 :H","-R 3","148","","","Ilmenite","- Fe1.35 O3 Ti0.65 -","- Fe1.35 O3 Ti0.65 -","- Fe8.1 O18 Ti3.9 -","6","0.333333","","Harrison, R. J.; Redfern, S. A. T.","Short- and long-range ordering in the ilmenite-hematite solid solution Sample: ilm65, T = 745 C","Physics and Chemistry of Minerals","2001","28","","399","412","10.1007/s002690100167","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:03","" "9007002","5.12327","","5.12327","","14.0202","","90","","90","","120","","318.698","","","","1067.15","","","","","","","","","3","R -3 :H","-R 3","148","","","Ilmenite","- Fe1.35 O3 Ti0.65 -","- Fe1.35 O3 Ti0.65 -","- Fe8.1 O18 Ti3.9 -","6","0.333333","","Harrison, R. J.; Redfern, S. A. T.","Short- and long-range ordering in the ilmenite-hematite solid solution Sample: ilm65, T = 794 C","Physics and Chemistry of Minerals","2001","28","","399","412","10.1007/s002690100167","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:03","" "9007003","5.12539","","5.12539","","14.0237","","90","","90","","120","","319.041","","","","1091.15","","","","","","","","","3","R -3 :H","-R 3","148","","","Ilmenite","- Fe1.35 O3 Ti0.65 -","- Fe1.35 O3 Ti0.65 -","- Fe8.1 O18 Ti3.9 -","6","0.333333","","Harrison, R. J.; Redfern, S. A. T.","Short- and long-range ordering in the ilmenite-hematite solid solution Sample: ilm65, T = 818 C","Physics and Chemistry of Minerals","2001","28","","399","412","10.1007/s002690100167","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:03","" "9007004","5.12732","","5.12732","","14.0255","","90","","90","","120","","319.323","","","","1116.15","","","","","","","","","3","R -3 :H","-R 3","148","","","Ilmenite","- Fe1.35 O3 Ti0.65 -","- Fe1.35 O3 Ti0.65 -","- Fe8.1 O18 Ti3.9 -","6","0.333333","","Harrison, R. J.; Redfern, S. A. T.","Short- and long-range ordering in the ilmenite-hematite solid solution Sample: ilm65, T = 843 C","Physics and Chemistry of Minerals","2001","28","","399","412","10.1007/s002690100167","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:03","" "9007005","5.1294","","5.1294","","14.0271","","90","","90","","120","","319.618","","","","1141.15","","","","","","","","","3","R -3 :H","-R 3","148","","","Ilmenite","- Fe1.35 O3 Ti0.65 -","- Fe1.35 O3 Ti0.65 -","- Fe8.1 O18 Ti3.9 -","6","0.333333","","Harrison, R. J.; Redfern, S. A. T.","Short- and long-range ordering in the ilmenite-hematite solid solution Sample: ilm65, T = 868 C","Physics and Chemistry of Minerals","2001","28","","399","412","10.1007/s002690100167","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:03","" "9007006","5.13122","","5.13122","","14.0301","","90","","90","","120","","319.914","","","","1166.15","","","","","","","","","3","R -3 :H","-R 3","148","","","Ilmenite","- Fe1.35 O3 Ti0.65 -","- Fe1.35 O3 Ti0.65 -","- Fe8.1 O18 Ti3.9 -","6","0.333333","","Harrison, R. J.; Redfern, S. A. T.","Short- and long-range ordering in the ilmenite-hematite solid solution Sample: ilm65, T = 893 C","Physics and Chemistry of Minerals","2001","28","","399","412","10.1007/s002690100167","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:03","" "9007007","5.13336","","5.13336","","14.0327","","90","","90","","120","","320.24","","","","1191.15","","","","","","","","","3","R -3 c :H","-R 3 2""c","167","","","Ilmenite","- Fe1.35 O3 Ti0.65 -","- Fe1.35 O3 Ti0.65 -","- Fe8.1 O18 Ti3.9 -","6","0.166667","","Harrison, R. J.; Redfern, S. A. T.","Short- and long-range ordering in the ilmenite-hematite solid solution Sample: ilm65, T = 918 C","Physics and Chemistry of Minerals","2001","28","","399","412","10.1007/s002690100167","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:03","" "9007008","5.1353","","5.1353","","14.0372","","90","","90","","120","","320.585","","","","1218.15","","","","","","","","","3","R -3 c :H","-R 3 2""c","167","","","Ilmenite","- Fe1.35 O3 Ti0.65 -","- Fe1.35 O3 Ti0.65 -","- Fe8.1 O18 Ti3.9 -","6","0.166667","","Harrison, R. J.; Redfern, S. A. T.","Short- and long-range ordering in the ilmenite-hematite solid solution Sample: ilm65, T = 945 C","Physics and Chemistry of Minerals","2001","28","","399","412","10.1007/s002690100167","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:03","" "9007009","5.13927","","5.13927","","14.0457","","90","","90","","120","","321.275","","","","1267.15","","","","","","","","","3","R -3 c :H","-R 3 2""c","167","","","Ilmenite","- Fe1.35 O3 Ti0.65 -","- Fe1.35 O3 Ti0.65 -","- Fe8.1 O18 Ti3.9 -","6","0.166667","","Harrison, R. J.; Redfern, S. A. T.","Short- and long-range ordering in the ilmenite-hematite solid solution Sample: ilm65, T = 994 C","Physics and Chemistry of Minerals","2001","28","","399","412","10.1007/s002690100167","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:03","" "9007010","5.1322","","5.1322","","14.0317","","90","","90","","120","","320.072","","","","1166.15","","","","","","","","","3","R -3 :H","-R 3","148","","","Ilmenite","- Fe1.35 O3 Ti0.65 -","- Fe1.35 O3 Ti0.65 -","- Fe8.1 O18 Ti3.9 -","6","0.333333","","Harrison, R. J.; Redfern, S. A. T.","Short- and long-range ordering in the ilmenite-hematite solid solution Sample: ilm65, T = 893 C","Physics and Chemistry of Minerals","2001","28","","399","412","10.1007/s002690100167","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:03","" "9007011","5.12512","","5.12512","","14.0236","","90","","90","","120","","319.006","","","","1066.15","","","","","","","","","3","R -3 :H","-R 3","148","","","Ilmenite","- Fe1.35 O3 Ti0.65 -","- Fe1.35 O3 Ti0.65 -","- Fe8.1 O18 Ti3.9 -","6","0.333333","","Harrison, R. J.; Redfern, S. A. T.","Short- and long-range ordering in the ilmenite-hematite solid solution Sample: ilm65, T = 793 C","Physics and Chemistry of Minerals","2001","28","","399","412","10.1007/s002690100167","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:03","" "9007012","5.11249","","5.11249","","14.0019","","90","","90","","120","","316.944","","","","865.15","","","","","","","","","3","R -3 :H","-R 3","148","","","Ilmenite","- Fe1.35 O3 Ti0.65 -","- Fe1.35 O3 Ti0.65 -","- Fe8.1 O18 Ti3.9 -","6","0.333333","","Harrison, R. J.; Redfern, S. A. T.","Short- and long-range ordering in the ilmenite-hematite solid solution Sample: ilm65, T = 592 C","Physics and Chemistry of Minerals","2001","28","","399","412","10.1007/s002690100167","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:03","" "9007013","5.011","","5.85","","10.353","","90","","92.41","","90","","303.223","","","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","Azurite","- C2 H2 Cu3 O8 -","- C2 H2 Cu3 O8 -","- C4 H4 Cu6 O16 -","2","0.5","","Belokoneva, E. L.; Gubina, Y. K.; Forsyth, J. B.","The charge density distribution and antiferromagnetic properties of azurite Cu3[CO3]2(OH)2 Note: O1 x-coordinate altered","Physics and Chemistry of Minerals","2001","28","","498","507","10.1007/s002690100176","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:03","" "9007014","22.161","","22.161","","5.358","","90","","90","","120","","2278.83","","","","","","","","","","","","","8","P 63","P 6c","173","","","Microsommite","- Al9 Ca3 Cl3 K3.36 Na5.64 O42 S1.5 Si9 -","- Al9 Ca3 Cl2.99997 K3.36 Na5.64 O42 S1.5 Si9 -","- Al18 Ca6 Cl5.99994 K6.72 Na11.28 O84 S3 Si18 -","2","0.333333","","Bonaccorsi, E.; Merlino, S.; Pasero, M.; Macedonio, G.","Microsommite: crystal chemistry, phase transitions, Ising model and Monte Carlo simulations","Physics and Chemistry of Minerals","2001","28","","509","522","10.1007/s002690100179","","","","","","","","","","","","","","","","","","","","","has coordinates","285044","2023-07-06","18:10:14","" "9007015","7.311","","7.311","","17.175","","90","","90","","120","","795.025","","","","","","","","","","","","","5","R -3 m :H","-R 3 2""","166","","","Jarosite","- Fe2.88 H5.83 K0.81 O13.64 S2 -","- Fe2.88 H5.83 K0.81 O13.64 S2 -","- Fe8.64 H17.49 K2.43 O40.92 S6 -","3","0.0833333","","Becker, U.; Gasharova, B.","AFM observations and simulations of jarosite growth at the molecular scale: probing the basis for the incorporation of foreign ions into jarosite as a storage mineral","Physics and Chemistry of Minerals","2001","28","","545","556","10.1007/s002690100188","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:03","" "9007016","9.869","","9.059","","5.334","","90","","109.91","","90","","448.373","","","","","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","Clinohypersthene","- Mg O3 Si -","- Mg O3 Si -","- Mg8 O24 Si8 -","8","1","","Shimobayashi, N.; Miyake, A.; Kitamura, M.; Miura, E.","Molecular dynamics simulations of the phase transition between low-temperature and high-temperature clinoenstatites Sample: from Smyth and Burnham, 1972","Physics and Chemistry of Minerals","2001","28","","591","599","10.1007/s002690100192","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:03","" "9007017","8.09117","","8.09117","","8.09117","","90","","90","","90","","529.705","","","","","","","","0","","","","","3","F d -3 m :2","-F 4vw 2vw 3","227","","","Gahnite","- Al2 O4 Zn -","- Al2 O4 Zn -","- Al16 O32 Zn8 -","8","0.0416667","","Levy, D.; Pavese, A.; Sani, A.; Pischedda, V.","Structure and compressibility of synthetic ZnAl2O4 (gahnite) under high-pressure conditions, from synchrotron X-ray powder diffraction Sample: P = 0 GPa","Physics and Chemistry of Minerals","2001","28","","612","618","10.1007/s002690100194","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:03","" "9007018","8.08843","","8.08843","","8.08843","","90","","90","","90","","529.167","","","","","","","","300000","","","","","3","F d -3 m :2","-F 4vw 2vw 3","227","","","Gahnite","- Al2 O4 Zn -","- Al2 O4 Zn -","- Al16 O32 Zn8 -","8","0.0416667","","Levy, D.; Pavese, A.; Sani, A.; Pischedda, V.","Structure and compressibility of synthetic ZnAl2O4 (gahnite) under high-pressure conditions, from synchrotron X-ray powder diffraction Sample: P = 0.3 GPa","Physics and Chemistry of Minerals","2001","28","","612","618","10.1007/s002690100194","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:03","" "9007019","8.08318","","8.08318","","8.08318","","90","","90","","90","","528.137","","","","","","","","600000","","","","","3","F d -3 m :2","-F 4vw 2vw 3","227","","","Gahnite","- Al2 O4 Zn -","- Al2 O4 Zn -","- Al16 O32 Zn8 -","8","0.0416667","","Levy, D.; Pavese, A.; Sani, A.; Pischedda, V.","Structure and compressibility of synthetic ZnAl2O4 (gahnite) under high-pressure conditions, from synchrotron X-ray powder diffraction Sample: P = 0.6 GPa","Physics and Chemistry of Minerals","2001","28","","612","618","10.1007/s002690100194","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:03","" "9007020","8.07922","","8.07922","","8.07922","","90","","90","","90","","527.361","","","","","","","","800000","","","","","3","F d -3 m :2","-F 4vw 2vw 3","227","","","Gahnite","- Al2 O4 Zn -","- Al2 O4 Zn -","- Al16 O32 Zn8 -","8","0.0416667","","Levy, D.; Pavese, A.; Sani, A.; Pischedda, V.","Structure and compressibility of synthetic ZnAl2O4 (gahnite) under high-pressure conditions, from synchrotron X-ray powder diffraction Sample: P = 0.8 GPa","Physics and Chemistry of Minerals","2001","28","","612","618","10.1007/s002690100194","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:03","" "9007021","8.07098","","8.07098","","8.07098","","90","","90","","90","","525.749","","","","","","","","1800000","","","","","3","F d -3 m :2","-F 4vw 2vw 3","227","","","Gahnite","- Al2 O4 Zn -","- Al2 O4 Zn -","- Al16 O32 Zn8 -","8","0.0416667","","Levy, D.; Pavese, A.; Sani, A.; Pischedda, V.","Structure and compressibility of synthetic ZnAl2O4 (gahnite) under high-pressure conditions, from synchrotron X-ray powder diffraction Sample: P = 1.8 GPa","Physics and Chemistry of Minerals","2001","28","","612","618","10.1007/s002690100194","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:03","" "9007022","8.0629","","8.0629","","8.0629","","90","","90","","90","","524.172","","","","","","","","2200000","","","","","3","F d -3 m :2","-F 4vw 2vw 3","227","","","Gahnite","- Al2 O4 Zn -","- Al2 O4 Zn -","- Al16 O32 Zn8 -","8","0.0416667","","Levy, D.; Pavese, A.; Sani, A.; Pischedda, V.","Structure and compressibility of synthetic ZnAl2O4 (gahnite) under high-pressure conditions, from synchrotron X-ray powder diffraction Sample: P = 2.2 GPa","Physics and Chemistry of Minerals","2001","28","","612","618","10.1007/s002690100194","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:03","" "9007023","8.0532","","8.0532","","8.0532","","90","","90","","90","","522.282","","","","","","","","3100000","","","","","3","F d -3 m :2","-F 4vw 2vw 3","227","","","Gahnite","- Al2 O4 Zn -","- Al2 O4 Zn -","- Al16 O32 Zn8 -","8","0.0416667","","Levy, D.; Pavese, A.; Sani, A.; Pischedda, V.","Structure and compressibility of synthetic ZnAl2O4 (gahnite) under high-pressure conditions, from synchrotron X-ray powder diffraction Sample: P = 3.1 GPa","Physics and Chemistry of Minerals","2001","28","","612","618","10.1007/s002690100194","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:03","" "9007024","8.0334","","8.0334","","8.0334","","90","","90","","90","","518.44","","","","","","","","4600000","","","","","3","F d -3 m :2","-F 4vw 2vw 3","227","","","Gahnite","- Al2 O4 Zn -","- Al2 O4 Zn -","- Al16 O32 Zn8 -","8","0.0416667","","Levy, D.; Pavese, A.; Sani, A.; Pischedda, V.","Structure and compressibility of synthetic ZnAl2O4 (gahnite) under high-pressure conditions, from synchrotron X-ray powder diffraction Sample: P = 4.6 GPa","Physics and Chemistry of Minerals","2001","28","","612","618","10.1007/s002690100194","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:03","" "9007025","8.01869","","8.01869","","8.01869","","90","","90","","90","","515.597","","","","","","","","6100000","","","","","3","F d -3 m :2","-F 4vw 2vw 3","227","","","Gahnite","- Al2 O4 Zn -","- Al2 O4 Zn -","- Al16 O32 Zn8 -","8","0.0416667","","Levy, D.; Pavese, A.; Sani, A.; Pischedda, V.","Structure and compressibility of synthetic ZnAl2O4 (gahnite) under high-pressure conditions, from synchrotron X-ray powder diffraction Sample: P = 6.1 GPa","Physics and Chemistry of Minerals","2001","28","","612","618","10.1007/s002690100194","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:03","" "9007026","7.99606","","7.99606","","7.99606","","90","","90","","90","","511.244","","","","","","","","8300000","","","","","3","F d -3 m :2","-F 4vw 2vw 3","227","","","Gahnite","- Al2 O4 Zn -","- Al2 O4 Zn -","- Al16 O32 Zn8 -","8","0.0416667","","Levy, D.; Pavese, A.; Sani, A.; Pischedda, V.","Structure and compressibility of synthetic ZnAl2O4 (gahnite) under high-pressure conditions, from synchrotron X-ray powder diffraction Sample: P = 8.3 GPa","Physics and Chemistry of Minerals","2001","28","","612","618","10.1007/s002690100194","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:03","" "9007027","7.97037","","7.97037","","7.97037","","90","","90","","90","","506.332","","","","","","","","10800000","","","","","3","F d -3 m :2","-F 4vw 2vw 3","227","","","Gahnite","- Al2 O4 Zn -","- Al2 O4 Zn -","- Al16 O32 Zn8 -","8","0.0416667","","Levy, D.; Pavese, A.; Sani, A.; Pischedda, V.","Structure and compressibility of synthetic ZnAl2O4 (gahnite) under high-pressure conditions, from synchrotron X-ray powder diffraction Sample: P = 10.8 GPa","Physics and Chemistry of Minerals","2001","28","","612","618","10.1007/s002690100194","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:03","" "9007028","7.95609","","7.95609","","7.95609","","90","","90","","90","","503.615","","","","","","","","12400000","","","","","3","F d -3 m :2","-F 4vw 2vw 3","227","","","Gahnite","- Al2 O4 Zn -","- Al2 O4 Zn -","- Al16 O32 Zn8 -","8","0.0416667","","Levy, D.; Pavese, A.; Sani, A.; Pischedda, V.","Structure and compressibility of synthetic ZnAl2O4 (gahnite) under high-pressure conditions, from synchrotron X-ray powder diffraction Sample: P = 12.4 GPa","Physics and Chemistry of Minerals","2001","28","","612","618","10.1007/s002690100194","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:03","" "9007029","7.94532","","7.94532","","7.94532","","90","","90","","90","","501.573","","","","","","","","13700000","","","","","3","F d -3 m :2","-F 4vw 2vw 3","227","","","Gahnite","- Al2 O4 Zn -","- Al2 O4 Zn -","- Al16 O32 Zn8 -","8","0.0416667","","Levy, D.; Pavese, A.; Sani, A.; Pischedda, V.","Structure and compressibility of synthetic ZnAl2O4 (gahnite) under high-pressure conditions, from synchrotron X-ray powder diffraction Sample: P = 13.7 GPa","Physics and Chemistry of Minerals","2001","28","","612","618","10.1007/s002690100194","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:03","" "9007030","7.9364","","7.9364","","7.9364","","90","","90","","90","","499.886","","","","","","","","14500000","","","","","3","F d -3 m :2","-F 4vw 2vw 3","227","","","Gahnite","- Al2 O4 Zn -","- Al2 O4 Zn -","- Al16 O32 Zn8 -","8","0.0416667","","Levy, D.; Pavese, A.; Sani, A.; Pischedda, V.","Structure and compressibility of synthetic ZnAl2O4 (gahnite) under high-pressure conditions, from synchrotron X-ray powder diffraction Sample: P = 14.5 GPa","Physics and Chemistry of Minerals","2001","28","","612","618","10.1007/s002690100194","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:03","" "9007031","7.92472","","7.92472","","7.92472","","90","","90","","90","","497.682","","","","","","","","15900000","","","","","3","F d -3 m :2","-F 4vw 2vw 3","227","","","Gahnite","- Al2 O4 Zn -","- Al2 O4 Zn -","- Al16 O32 Zn8 -","8","0.0416667","","Levy, D.; Pavese, A.; Sani, A.; Pischedda, V.","Structure and compressibility of synthetic ZnAl2O4 (gahnite) under high-pressure conditions, from synchrotron X-ray powder diffraction Sample: P = 15.9 GPa","Physics and Chemistry of Minerals","2001","28","","612","618","10.1007/s002690100194","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:03","" "9007032","7.91769","","7.91769","","7.91769","","90","","90","","90","","496.359","","","","","","","","16700000","","","","","3","F d -3 m :2","-F 4vw 2vw 3","227","","","Gahnite","- Al2 O4 Zn -","- Al2 O4 Zn -","- Al16 O32 Zn8 -","8","0.0416667","","Levy, D.; Pavese, A.; Sani, A.; Pischedda, V.","Structure and compressibility of synthetic ZnAl2O4 (gahnite) under high-pressure conditions, from synchrotron X-ray powder diffraction Sample: P = 16.7 GPa","Physics and Chemistry of Minerals","2001","28","","612","618","10.1007/s002690100194","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:03","" "9007033","7.909","","7.909","","7.909","","90","","90","","90","","494.726","","","","","","","","17700000","","","","","3","F d -3 m :2","-F 4vw 2vw 3","227","","","Gahnite","- Al2 O4 Zn -","- Al2 O4 Zn -","- Al16 O32 Zn8 -","8","0.0416667","","Levy, D.; Pavese, A.; Sani, A.; Pischedda, V.","Structure and compressibility of synthetic ZnAl2O4 (gahnite) under high-pressure conditions, from synchrotron X-ray powder diffraction Sample: P = 17.7 GPa","Physics and Chemistry of Minerals","2001","28","","612","618","10.1007/s002690100194","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:03","" "9007034","7.9035","","7.9035","","7.9035","","90","","90","","90","","493.695","","","","","","","","18600000","","","","","3","F d -3 m :2","-F 4vw 2vw 3","227","","","Gahnite","- Al2 O4 Zn -","- Al2 O4 Zn -","- Al16 O32 Zn8 -","8","0.0416667","","Levy, D.; Pavese, A.; Sani, A.; Pischedda, V.","Structure and compressibility of synthetic ZnAl2O4 (gahnite) under high-pressure conditions, from synchrotron X-ray powder diffraction Sample: P = 18.6 GPa","Physics and Chemistry of Minerals","2001","28","","612","618","10.1007/s002690100194","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:03","" "9007035","7.8909","","7.8909","","7.8909","","90","","90","","90","","491.337","","","","","","","","19900000","","","","","3","F d -3 m :2","-F 4vw 2vw 3","227","","","Gahnite","- Al2 O4 Zn -","- Al2 O4 Zn -","- Al16 O32 Zn8 -","8","0.0416667","","Levy, D.; Pavese, A.; Sani, A.; Pischedda, V.","Structure and compressibility of synthetic ZnAl2O4 (gahnite) under high-pressure conditions, from synchrotron X-ray powder diffraction Sample: P = 19.9 GPa","Physics and Chemistry of Minerals","2001","28","","612","618","10.1007/s002690100194","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:03","" "9007036","7.8837","","7.8837","","7.8837","","90","","90","","90","","489.993","","","","","","","","21000000","","","","","3","F d -3 m :2","-F 4vw 2vw 3","227","","","Gahnite","- Al2 O4 Zn -","- Al2 O4 Zn -","- Al16 O32 Zn8 -","8","0.0416667","","Levy, D.; Pavese, A.; Sani, A.; Pischedda, V.","Structure and compressibility of synthetic ZnAl2O4 (gahnite) under high-pressure conditions, from synchrotron X-ray powder diffraction Sample: P = 21.0 GPa","Physics and Chemistry of Minerals","2001","28","","612","618","10.1007/s002690100194","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:03","" "9007037","7.8769","","7.8769","","7.8769","","90","","90","","90","","488.727","","","","","","","","21900000","","","","","3","F d -3 m :2","-F 4vw 2vw 3","227","","","Gahnite","- Al2 O4 Zn -","- Al2 O4 Zn -","- Al16 O32 Zn8 -","8","0.0416667","","Levy, D.; Pavese, A.; Sani, A.; Pischedda, V.","Structure and compressibility of synthetic ZnAl2O4 (gahnite) under high-pressure conditions, from synchrotron X-ray powder diffraction Sample: P = 21.9 GPa","Physics and Chemistry of Minerals","2001","28","","612","618","10.1007/s002690100194","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:03","" "9007038","7.8629","","7.8629","","7.8629","","90","","90","","90","","486.125","","","","","","","","23800000","","","","","3","F d -3 m :2","-F 4vw 2vw 3","227","","","Gahnite","- Al2 O4 Zn -","- Al2 O4 Zn -","- Al16 O32 Zn8 -","8","0.0416667","","Levy, D.; Pavese, A.; Sani, A.; Pischedda, V.","Structure and compressibility of synthetic ZnAl2O4 (gahnite) under high-pressure conditions, from synchrotron X-ray powder diffraction Sample: P = 23.8 GPa","Physics and Chemistry of Minerals","2001","28","","612","618","10.1007/s002690100194","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:03","" "9007039","7.8523","","7.8523","","7.8523","","90","","90","","90","","484.162","","","","","","","","25400000","","","","","3","F d -3 m :2","-F 4vw 2vw 3","227","","","Gahnite","- Al2 O4 Zn -","- Al2 O4 Zn -","- Al16 O32 Zn8 -","8","0.0416667","","Levy, D.; Pavese, A.; Sani, A.; Pischedda, V.","Structure and compressibility of synthetic ZnAl2O4 (gahnite) under high-pressure conditions, from synchrotron X-ray powder diffraction Sample: P = 25.4 GPa","Physics and Chemistry of Minerals","2001","28","","612","618","10.1007/s002690100194","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:03","" "9007040","7.8389","","7.8389","","7.8389","","90","","90","","90","","481.687","","","","","","","","27200000","","","","","3","F d -3 m :2","-F 4vw 2vw 3","227","","","Gahnite","- Al2 O4 Zn -","- Al2 O4 Zn -","- Al16 O32 Zn8 -","8","0.0416667","","Levy, D.; Pavese, A.; Sani, A.; Pischedda, V.","Structure and compressibility of synthetic ZnAl2O4 (gahnite) under high-pressure conditions, from synchrotron X-ray powder diffraction Sample: P = 27.2 GPa","Physics and Chemistry of Minerals","2001","28","","612","618","10.1007/s002690100194","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:03","" "9007041","7.8231","","7.8231","","7.8231","","90","","90","","90","","478.781","","","","","","","","29800000","","","","","3","F d -3 m :2","-F 4vw 2vw 3","227","","","Gahnite","- Al2 O4 Zn -","- Al2 O4 Zn -","- Al16 O32 Zn8 -","8","0.0416667","","Levy, D.; Pavese, A.; Sani, A.; Pischedda, V.","Structure and compressibility of synthetic ZnAl2O4 (gahnite) under high-pressure conditions, from synchrotron X-ray powder diffraction Sample: P = 29.8 GPa","Physics and Chemistry of Minerals","2001","28","","612","618","10.1007/s002690100194","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:03","" "9007042","7.8083","","7.8083","","7.8083","","90","","90","","90","","476.069","","","","","","","","32200000","","","","","3","F d -3 m :2","-F 4vw 2vw 3","227","","","Gahnite","- Al2 O4 Zn -","- Al2 O4 Zn -","- Al16 O32 Zn8 -","8","0.0416667","","Levy, D.; Pavese, A.; Sani, A.; Pischedda, V.","Structure and compressibility of synthetic ZnAl2O4 (gahnite) under high-pressure conditions, from synchrotron X-ray powder diffraction Sample: P = 32.2 GPa","Physics and Chemistry of Minerals","2001","28","","612","618","10.1007/s002690100194","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:03","" "9007043","7.79","","7.79","","7.79","","90","","90","","90","","472.729","","","","","","","","35200000","","","","","3","F d -3 m :2","-F 4vw 2vw 3","227","","","Gahnite","- Al2 O4 Zn -","- Al2 O4 Zn -","- Al16 O32 Zn8 -","8","0.0416667","","Levy, D.; Pavese, A.; Sani, A.; Pischedda, V.","Structure and compressibility of synthetic ZnAl2O4 (gahnite) under high-pressure conditions, from synchrotron X-ray powder diffraction Sample: P = 35.2 GPa","Physics and Chemistry of Minerals","2001","28","","612","618","10.1007/s002690100194","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:03","" "9007044","7.762","","7.762","","7.762","","90","","90","","90","","467.65","","","","","","","","39800000","","","","","3","F d -3 m :2","-F 4vw 2vw 3","227","","","Gahnite","- Al2 O4 Zn -","- Al2 O4 Zn -","- Al16 O32 Zn8 -","8","0.0416667","","Levy, D.; Pavese, A.; Sani, A.; Pischedda, V.","Structure and compressibility of synthetic ZnAl2O4 (gahnite) under high-pressure conditions, from synchrotron X-ray powder diffraction Sample: P = 39.8 GPa","Physics and Chemistry of Minerals","2001","28","","612","618","10.1007/s002690100194","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:03","" "9007045","7.7452","","7.7452","","7.7452","","90","","90","","90","","464.62","","","","","","","","42900000","","","","","3","F d -3 m :2","-F 4vw 2vw 3","227","","","Gahnite","- Al2 O4 Zn -","- Al2 O4 Zn -","- Al16 O32 Zn8 -","8","0.0416667","","Levy, D.; Pavese, A.; Sani, A.; Pischedda, V.","Structure and compressibility of synthetic ZnAl2O4 (gahnite) under high-pressure conditions, from synchrotron X-ray powder diffraction Sample: P = 42.9 GPa","Physics and Chemistry of Minerals","2001","28","","612","618","10.1007/s002690100194","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:03","" "9007893","4.8269","","4.8269","","4.866","","90","","90","","120","","98.184","","","","","","","","","","","","","3","P -3 1 m","-P 3 2","162","","","","- As2 Cd O6 -","- As2 Cd O6 -","- As2 Cd O6 -","1","0.0833333","","Weil, M.","Cadmium(II) metaarsenate(V), CdAs2O6","Acta Crystallographica, Section E","2001","57","","i22","i23","10.1107/S1600536801003865","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:04","" "9007894","6.4818","","8.7975","","7.6367","","90","","98.753","","90","","430.401","","","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- H4 Mg O5 Se -","- H4 Mg O5 Se -","- H16 Mg4 O20 Se4 -","4","1","","Johnston, M. G.; Harrison, W. T. A.","Magnesium selenite dihydrate, MgSeO3*2H2O","Acta Crystallographica, Section E","2001","57","","i24","i25","10.1107/S1600536801004135","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:04","" "9007895","13.9969","","6.4803","","11.0211","","90","","105.596","","90","","962.853","","","","120","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","Melanterite","- Fe H14 O11 S -","- Fe H14 O11 S -","- Fe4 H56 O44 S4 -","4","1","","Fronczek, F. R.; Collins, S. N.; Chan, J. Y.","Refinement of ferrous sulfate heptahydrate (melanterite) with low-temperature CCD data Note: T = 120 K Locality: synthetic","Acta Crystallographica, Section E","2001","57","","i26","i27","10.1107/S1600536801004202","","","","","","","","","","","","","","","","","","","","","has coordinates","200438","2020-10-21","18:00:00","" "9007897","7.4116","","7.6542","","9.4486","","90","","112.194","","90","","496.304","","","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- Ni3 O14 P4 Sr -","- Ni3 O14 P4 Sr -","- Ni6 O28 P8 Sr2 -","2","0.5","","Bolte, M.","SrNi3(P2O7)2","Acta Crystallographica, Section E","2001","57","","i30","i31","10.1107/S1600536801005700","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:04","" "9007898","9.338","","9.338","","12.817","","90","","90","","120","","967.887","","","","","","","","","","","","","4","P -3 c 1","-P 3 2""c","165","","","","- C3 Na4 O11 U -","- C3 Na4 O11 U -","- C12 Na16 O44 U4 -","4","0.333333","","Cisarova, I.; Skala, R.; Ondrus, P.; Drabek, M.","Trigonal Na4[UO2(CO3)3] Note: synthetic polymorph of cejkaite","Acta Crystallographica, Section E","2001","57","","i32","i34","10.1107/S1600536801005992","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:04","" "9007902","5.947","","21.574","","7.526","","90","","103.82","","90","","937.637","","","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- H10 Na2 O8 S2 -","- H10 Na2 O8 S2 -","- H40 Na8 O32 S8 -","4","1","","Prasad S M Rani A","Rerefinement of sodium thiosulfate pentahydrate","Acta Crystallographica, Section E","2001","57","","i67","i69","10.1107/S1600536801011175","","","","","","","","","","","","","","","","","","","","","has coordinates","282068","2023-03-26","10:21:06","" "9007904","6.9944","","5.8925","","8.2495","","90","","90","","90","","339.999","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- B Ga O4 Pb -","- B Ga O4 Pb -","- B4 Ga4 O16 Pb4 -","4","0.5","","Park, H.; Barbier, J.","PbGaBO4, an orthoborate with a new structure-type","Acta Crystallographica, Section E","2001","57","","i82","i84","10.1107/S1600536801013940","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:04","" "9007905","6.0584","","6.0584","","11.3561","","90","","90","","120","","360.974","","","","","","","","","","","","","3","P 63 c m","P 6c -2","185","","","","- Mn O3 Yb -","- Mn O3 Yb -","- Mn6 O18 Yb6 -","6","0.5","","Van Aken, B. B.; Meetsma, A.; Palstra, T. T. M.","Hexagonal YbMnO3 revisited","Acta Crystallographica, Section E","2001","57","","i87","i89","10.1107/S1600536801015094","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:04","" "9007906","3.982","","3.982","","6.445","","90","","90","","120","","88.503","","","","","","","","","","","","Synthetic","3","P 63 m c","P 6c -2c","186","","","Rambergite","- Fe0.05 Mn0.95 S -","- Fe0.05 Mn0.95 S -","- Fe0.1 Mn1.9 S2 -","2","0.166667","","Eriksson, L.; Kalinowski, M. P.","Mn1-xFexS, x=0.05, an example of an anti-wurtzite structure","Acta Crystallographica, Section E","2001","57","","i92","i93","10.1107/S1600536801016051","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:04","" "9007907","11.8175","","13.7466","","7.1093","","90","","120.769","","90","","992.34","","","","","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C2 H6 K4 O9 -","- C2 H6 K4 O9 -","- C8 H24 K16 O36 -","4","0.5","","Skakle, J. M. S.; Wilson, M.; Feldman, J.","Dipotassium carbonate sesquihydrate: rerefinement against new intensity data","Acta Crystallographica, Section E","2001","57","","i94","i97","10.1107/S1600536801016312","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:04","" "9007909","6.038","","6.038","","11.361","","90","","90","","120","","358.702","","","","","","","","","","","","","3","P 63 c m","P 6c -2","185","","","","- Lu Mn O3 -","- Lu Mn O3 -","- Lu6 Mn6 O18 -","6","0.5","","Van Aken, B. B.; Meetsma, A.; Palstra, T. T. M.","Hexagonal LuMnO3 revisited","Acta Crystallographica, Section E","2001","57","","i101","i103","10.1107/S1600536801015896","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:04","" "9007910","6.083","","6.226","","10.867","","77.14","","82.2","","72.91","","382.43","","","","","","","","","","","","","4","P -1","-P 1","2","","","","- Cu H10 O9 Se -","- Cu H10 O9 Se -","- Cu2 H20 O18 Se2 -","2","1","","Kolitsch, U.","Copper(II) selenate pentahydrate, CuSeO4*5H2O","Acta Crystallographica, Section E","2001","57","","i104","i105","10.1107/S1600536801018347","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:46","" "9007913","7.646","","6.179","","9.507","","90","","90","","90","","449.155","","","","","","","","","","","","Synthetic","5","P n m a","-P 2ac 2n","62","","","Pyrobelonite","- H Mn O5 Pb V -","- H Mn O5 Pb V -","- H4 Mn4 O20 Pb4 V4 -","4","0.5","","Kolitsch, U.","Refinement of pyrobelonite, PbMnIIVO4(OH), a member of the descloizite group","Acta Crystallographica, Section E","2001","57","","i119","i121","10.1107/S1600536801020037","","","","","","","","","","","","","","","","","","","","","has coordinates","283850","2023-05-18","07:16:47","" "9008437","17.032","","7.363","","14.023","","90","","90.36","","90","","1758.54","","","","","","","","","","","","model structure, not experimentally determined","3","A 1 2/a 1","-A 2ya","15","","","Xonotlite","- Ca6 O19 Si6 -","- Ca24 O76 Si24 -","- Ca24 O76 Si24 -","","","","Hejny, C.; Armbruster, T.","Polytypism in xonotlite Ca6Si6O17(OH)2 Note: polytype derived from structure in Kudoh and Takeuchi (1979)","Zeitschrift fur Kristallographie","2001","216","","396","408","10.1524/zkri.216.7.396.20363","","","","","","","","","","","","","","","","","","","","","has coordinates","282068","2023-03-26","10:21:46","" "9008438","8.712","","7.363","","7.012","","89.99","","90.36","","102.18","","439.661","","","","","","","","","","","","model structure, not experimentally determined","3","P -1","-P 1","2","","","Xonotlite","- Ca6 O19 Si6 -","- Ca6 O19 Si6 -","- Ca6 O19 Si6 -","","","","Hejny, C.; Armbruster, T.","Polytypism in xonotlite Ca6Si6O17(OH)2 Note: polytype derived from structure in Kudoh and Takeuchi (1979)","Zeitschrift fur Kristallographie","2001","216","","396","408","10.1524/zkri.216.7.396.20363","","","","","","","","","","","","","","","","","","","","","has coordinates","282068","2023-03-26","10:21:46","" "9008439","17.032","","7.363","","7.012","","90","","90.36","","90","","879.334","","","","","","","","","","","","model structure, not experimentally determined","3","P 1 2/a 1","-P 2ya","13","","","Xonotlite","- Ca6 O19 Si6 -","- Ca12 O38 Si12 -","- Ca12 O38 Si12 -","","","","Hejny, C.; Armbruster, T.","Polytypism in xonotlite Ca6Si6O17(OH)2 Note: polytype derived from structure in Kudoh and Takeuchi (1979)","Zeitschrift fur Kristallographie","2001","216","","396","408","10.1524/zkri.216.7.396.20363","","","","","","","","","","","","","","","","","","","","","has coordinates","282068","2023-03-26","10:21:46","" "9009225","8.4158","","8.4158","","8.4158","","90","","90","","90","","596.055","","","","","","","","","","","","","4","F d -3 m :2","-F 4vw 2vw 3","227","","","","- Fe1.98 Mg0.854 O4 Re0.166 -","- Fe15.84 Mg6.832 O32 Re1.328 -","- Fe15.84 Mg6.832 O32 Re1.328 -","","","","Righter, K.; Downs, R. T.","The crystal structures of synthetic Re- and PGE-bearing magnesioferrite spinels: Implications for impacts, accretion and the mantle Sample: 111","Geophysical Research Letters","2001","28","","619","622","10.1029/2000GL012184","","","","","","","","","","","","","","","","","","","","","has coordinates","282068","2023-03-26","10:24:03","" "9009226","8.4055","","8.4055","","8.4055","","90","","90","","90","","593.869","","","","","","","","","","","","","4","F d -3 m :2","-F 4vw 2vw 3","227","","","","- Fe2.144 Mg0.78 O4 Re0.076 -","- Fe17.152 Mg6.24 O32 Re0.608 -","- Fe17.152 Mg6.24 O32 Re0.608 -","","","","Righter, K.; Downs, R. T.","The crystal structures of synthetic Re- and PGE-bearing magnesioferrite spinels: Implications for impacts, accretion and the mantle Sample: 116","Geophysical Research Letters","2001","28","","619","622","10.1029/2000GL012184","","","","","","","","","","","","","","","","","","","","","has coordinates","282068","2023-03-26","10:24:03","" "9009227","8.4034","","8.4034","","8.4034","","90","","90","","90","","593.424","","","","","","","","","","","","","5","F d -3 m :2","-F 4vw 2vw 3","227","","","","- Fe1.665 Ir0.042 Mg1.063 O4 Ru0.23 -","- Fe13.32 Ir0.336 Mg8.504 O32 Ru1.84 -","- Fe13.32 Ir0.336 Mg8.504 O32 Ru1.84 -","","","","Righter, K.; Downs, R. T.","The crystal structures of synthetic Re- and PGE-bearing magnesioferrite spinels: Implications for impacts, accretion and the mantle Sample: 115","Geophysical Research Letters","2001","28","","619","622","10.1029/2000GL012184","","","","","","","","","","","","","","","","","","","","","has coordinates","282068","2023-03-26","10:24:03","" "9009228","8.3955","","8.3955","","8.3955","","90","","90","","90","","591.752","","","","","","","","","","","","","5","F d -3 m :2","-F 4vw 2vw 3","227","","","","- Fe1.807 Mg1.039 O4 Os0.056 Rh0.1 -","- Fe14.456 Mg8.312 O32 Os0.448 Rh0.8 -","- Fe14.456 Mg8.312 O32 Os0.448 Rh0.8 -","","","","Righter, K.; Downs, R. T.","The crystal structures of synthetic Re- and PGE-bearing magnesioferrite spinels: Implications for impacts, accretion and the mantle Sample: 117","Geophysical Research Letters","2001","28","","619","622","10.1029/2000GL012184","","","","","","","","","","","","","","","","","","","","","has coordinates","282068","2023-03-26","10:24:03","" "9009238","7.66","","4.1","","5.03","","90","","117.9","","90","","139.61","","","","","","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","","","","- O2 Si -","- O12 Si6 -","- O12 Si6 -","","","","Haines, J.; Leger, J. M.; Gorelli, F.; Hanfland, M.","Crystalline post-quartz phase in silica at high pressure Sample at ambient conditions","Physical Review Letters","2001","87","","155503","155503","10.1103/PhysRevLett.87.155503","","","","","","","","","","","","","","","","","","","","","has coordinates","282067","2023-03-26","07:49:22","" "9009410","5.243","","5.978","","2.9783","","90","","90","","90","","93.348","","","","","","","","","","","","Haje, Pibram, Czech Republic","6","P n n m","-P 2 2n","58","","","Lollingite","- As1.94 Co0.03 Fe0.61 Ni0.36 S0.02 Sb0.04 -","- As3.88 Co0.06 Fe1.22 Ni0.72 S0.04 Sb0.08 -","- As3.88 Co0.06 Fe1.22 Ni0.72 S0.04 Sb0.08 -","","","","Ondrus, P.; Vavrin, I.; Skala, R.; Veselovsky, F.","Low-temperature Ni-rich lollingite from Haje, Pibram, Czech Republic. Rietveld crystal structure refinement","Neues Jahrbuch fur Mineralogie, Monatshefte","2001","2001","","169","185","","","","","","","","","","","","","","","","","","","","","","has coordinates","282068","2023-03-26","10:24:19","" "9009411","5.2684","","5.9631","","2.9007","","90","","90","","90","","91.128","","","","","","","","","","","","Dolni Bory, Czech Republic","2","P n n m","-P 2 2n","58","","","Lollingite","- As2 Fe -","- As4 Fe2 -","- As4 Fe2 -","","","","Ondrus, P.; Vavrin, I.; Skala, R.; Veselovsky, F.","Low-temperature Ni-rich lollingite from Haje, Pibram, Czech Republic. Rietveld crystal structure refinement","Neues Jahrbuch fur Mineralogie, Monatshefte","2001","2001","","169","185","","","","","","","","","","","","","","","","","","","","","","has coordinates","282068","2023-03-26","10:24:22","" "9009412","7.433","","7.433","","4.997","","90","","90","","90","","276.082","","","","","","","","","","","","skarn rocks in the Gugia alkaline complex, Liaoning Province, China","4","P -4 21 m","P -4 2ab","113","","","Gugiaite","- Be Ca2 O7 Si2 -","- Be2 Ca4 O14 Si4 -","- Be2 Ca4 O14 Si4 -","","","","Yang, Z.; Fleck, M.; Pertlik, F.; Tillmanns, E.; Tao, K.","The crystal structure of natural gugiaite, Ca2BeSi2O7 Locality: skarn rocks in the Gugia alkaline complex, Liaoning Province, China Note, z coordinate of Ca is altered to reproduce reported Ca-O bond lengths","Neues Jahrbuch fur Mineralogie, Monatshefte","2001","2001","","186","192","","","","","","","","","","","","","","","","","","","","","","has coordinates","282068","2023-03-26","10:24:24","" "9009413","5.813","","6.921","","15.192","","90","","90","","90","","611.201","","","","","","","","","","","","Kombat mine, Namibia","4","P m c 21","P 2c -2","26","","","Damaraite","- Cl H O3 Pb3 -","- Cl H O3 Pb3 -","- Cl4 H4 O12 Pb12 -","4","1","","Keller, P.; Lissner, F.; Schleid, T.","Damaraite, Pb3O2(OH)Cl: crystal structure and new chemical formula","Neues Jahrbuch fur Mineralogie, Monatshefte","2001","2001","","326","336","","","","","","","","","","","","","","","","","","","","","","has coordinates","283850","2023-05-18","07:16:47","" "9009414","5.044","","8.541","","7.292","","90","","90","","90","","314.145","","","","","","","","","","","","Ilimaussaq alkaline complex, South Greenland","11","P m c n","-P 2n 2a","62","","","Ancylite-(La)","- C H3 Ca0.05 Ce0.04 F0.075 La0.27 Nd0.205 O3.925 Pr0.07 Sm0.01 Sr0.31 -","- C H1.425 Ca0.05 Ce0.04 F0.075 La0.27 Nd0.205 O3.925 Pr0.07 Sm0.01 Sr0.31 -","- C4 H5.7 Ca0.2 Ce0.16 F0.3 La1.08 Nd0.82 O15.7 Pr0.28 Sm0.04 Sr1.24 -","4","0.5","","Petersen O V; Niedermayr G; Gault R A; Brandstatter F; Micheelsen H I; Giester G","Ancylite-(La) from the Ilimaussaq alkaline complex, South Greenland","Neues Jahrbuch fur Mineralogie, Monatshefte","2001","2001","","493","504","","","","","","","","","","","","","","","","","","","","","","has coordinates","283866","2023-05-18","12:54:10","" "9009415","9.24","","12.362","","2.9869","","90","","90","","90","","341.178","","","","","","","","","","","","Jakobsberg Fe-Mn oxide deposit, Filipstad, Varmland, Sweden","6","P b a m","-P 2 2ab","55","","","Ludwigite","- Al0.44 B2 Fe1.11 Mg3.91 Mn0.54 O10 -","- Al0.88 B4 Fe2.22 Mg7.82 Mn1.08 O20 -","- Al0.88 B4 Fe2.22 Mg7.82 Mn1.08 O20 -","","","","Holtstam, D.","Crystal chemistry of a manganian ludwigite Note: z-coordinate has been altered through personal communication with the author Locality: Jakobsberg Fe-Mn oxide deposit, Filipstad, Varmland, Sweden","Neues Jahrbuch fur Mineralogie, Monatshefte","2001","2001","","520","528","","","","","","","","","","","","","","","","","","","","","","has coordinates","282068","2023-03-26","10:24:29","" "9009416","9.107","","6.316","","7.571","","90","","115.02","","90","","394.617","","","","","","","","","","","","Schneeberg, Germany","9","C 1 2/m 1","-C 2y","12","","","Cobalttsumcorite","- Al0.04 As2 Co0.79 Fe0.73 H6 Ni0.4 O10.2 Pb Zn0.04 -","- Al0.04 As2 Co0.79 Fe0.73 H3.7 Ni0.4 O10.2 Pb Zn0.04 -","- Al0.08 As4 Co1.58 Fe1.46 H7.4 Ni0.8 O20.4 Pb2 Zn0.08 -","2","0.25","","Krause W; Bernhardt H J; Effenberger H; Martin M","Cobalttsumcorite and nickellotharmeyerite, two new minerals from Schneeberg, Germany: description and crystal structure","Neues Jahrbuch fur Mineralogie, Monatshefte","2001","2001","","588","576","","","","","","","","","","","","","","","","","","","","","","has coordinates","283866","2023-05-18","12:54:10","" "9009417","9.04","","6.229","","7.397","","90","","115.32","","90","","376.512","","","","","","","","","","","","Schneeberg, Germany","8","C 1 2/m 1","-C 2y","12","","","Nickellotharmeyerite","- As2 Bi0.031 Ca0.969 Co0.2 Fe0.7 H5 Ni1.1 O10 -","- As2 Bi0.031 Ca0.969 Co0.2 Fe0.7 H3 Ni1.1 O10 -","- As4 Bi0.062 Ca1.938 Co0.4 Fe1.4 H6 Ni2.2 O20 -","2","0.25","","Krause, W.; Bernhardt, H. J.; Effenberger, H.; Martin, M.","Cobalttsumcorite and nickellotharmeyerite, two new minerals from Schneeberg, Germany: description and crystal structure","Neues Jahrbuch fur Mineralogie, Monatshefte","2001","2001","","588","576","","","","","","","","","","","","","","","","","","","","","","has coordinates","283866","2023-05-18","12:54:10","" "9009520","8.4127","","8.4127","","8.4127","","90","","90","","90","","595.396","","","","","","","","","","","","Tsumeb, Namibia","3","F d -3 m :2","-F 4vw 2vw 3","227","","","Brunogeierite","- Fe2 Ge O4 -","- Fe16 Ge8 O32 -","- Fe16 Ge8 O32 -","","","","Welch, M. D.; Cooper, M. A.; Hawthorne, F. C.","The crystal structure of brunogeierite, Fe2GeO4 spinel","Mineralogical Magazine","2001","65","","441","444","10.1180/002646101300119529","","","","","","","","","","","","","","","","","","","","","has coordinates","282068","2023-03-26","10:24:31","" "9009521","12.784","","6.996","","13.007","","90","","91.92","","90","","1162.65","","","","","","","","","","","","Lake Boga, near Swan Hill, Victoria, Australia","6","P 1 21/c 1","-P 2ybc","14","","","Ulrichite","- Ca Cu H8 O14 P2 U -","- Ca Cu H8 O14 P2 U -","- Ca4 Cu4 H32 O56 P8 U4 -","4","1","","Kolitsch, U.; Giester, G.","Revision of the crystal structure of ulrichite, CaCu2+(UO2)(PO4)2*4(H2O)","Mineralogical Magazine","2001","65","","717","724","10.1180/0026461016560003","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:47","" "9009746","6.599","","8.406","","9.472","","90","","100.608","","90","","516.443","","","","","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- Mg2 O7 V2 -","- Mg8 O28 V8 -","- Mg8 O28 V8 -","","","","Nielsen, U. G.; Jakobsen, H. J.; Skibsted, J.; Norby, P.","Crystal structure of alpha-Mg2V2O7 from synchrotron X-ray powder diffraction and characterization by 51V MAS NMR spectroscopy Note: z-coordinate of V1 changed as directed by the author, Aug 2005.","Dalton Transactions","2001","2001","","3214","3218","","","","","","","","","","","","","","","","","","","","","","has coordinates","176465","2020-10-21","18:00:00","" "9009810","10.4399","","3.0626","","9.2135","","90","","95.262","","90","","293.344","","","","","","","","","","","","","3","I 1 2/m 1","-I 2y","12","","","","- O4 Rh2 Sr0.375 -","- O16 Rh8 Sr1.5 -","- O16 Rh8 Sr1.5 -","","","","Plaisier, J. R.; Van Vliet, A. A. C.; IJdo D J W","Synthesis, structure and magnetic properties of a new hollandite: Sr0.75Rh4O8 Note: Hollandite-type structure","Journal of Alloys and Compounds","2001","314","","56","61","10.1016/S0925-8388(00)01208-1","","","","","","","","","","","","","","","","","","","","","has coordinates","282068","2023-03-26","10:25:10","" "9009811","5.46979","","5.46979","","12.06339","","90","","90","","90","","360.92","","","","290","","","","","","","","Synthetic","3","I 41/a :2","-I 4ad","88","","","Stolzite","- O4 Pb W -","- O16 Pb4 W4 -","- O16 Pb4 W4 -","","","","Chipaux, R.; Andre, G.; Cousson, A.","Crystal structure of lead tungstate at 1.4 and 300 K Sample: .Top. at T = 290 K Note: Scheelite structure","Journal of Alloys and Compounds","2001","325","","91","94","10.1016/S0925-8388(01)01367-6","","","","","","","","","","","","","","","","","","","","","has coordinates","282068","2023-03-26","10:25:10","" "9009812","5.46462","","5.46462","","12.04787","","90","","90","","90","","359.774","","","","290","","","","","","","","Synthetic","3","I 41/a :2","-I 4ad","88","","","Stolzite","- O4 Pb W -","- O16 Pb4 W4 -","- O16 Pb4 W4 -","","","","Chipaux, R.; Andre, G.; Cousson, A.","Crystal structure of lead tungstate at 1.4 and 300 K Sample: Bottom, T = 290 K Note: Scheelite structure","Journal of Alloys and Compounds","2001","325","","91","94","10.1016/S0925-8388(01)01367-6","","","","","","","","","","","","","","","","","","","","","has coordinates","282068","2023-03-26","10:25:10","" "9009813","5.43241","","5.43241","","12.04817","","90","","90","","90","","355.554","","","","290","","","","","","","","Synthetic","3","I 41/a :2","-I 4ad","88","","","Stolzite","- O4 Pb W -","- O16 Pb4 W4 -","- O16 Pb4 W4 -","","","","Chipaux, R.; Andre, G.; Cousson, A.","Crystal structure of lead tungstate at 1.4 and 300 K Sample: Yellow, T = 290 K Note: Scheelite structure","Journal of Alloys and Compounds","2001","325","","91","94","10.1016/S0925-8388(01)01367-6","","","","","","","","","","","","","","","","","","","","","has coordinates","282068","2023-03-26","10:25:10","" "9009814","5.45961","","5.45961","","12.00222","","90","","90","","90","","357.754","","","","1.4","","","","","","","","Synthetic","3","I 41/a :2","-I 4ad","88","","","Stolzite","- O4 Pb W -","- O16 Pb4 W4 -","- O16 Pb4 W4 -","","","","Chipaux, R.; Andre, G.; Cousson, A.","Crystal structure of lead tungstate at 1.4 and 300 K Sample: Top, T = 1.4 K Note: Scheelite structure","Journal of Alloys and Compounds","2001","325","","91","94","10.1016/S0925-8388(01)01367-6","","","","","","","","","","","","","","","","","","","","","has coordinates","282068","2023-03-26","10:25:10","" "9009815","5.45565","","5.45565","","11.9923","","90","","90","","90","","356.94","","","","1.4","","","","","","","","Synthetic","3","I 41/a :2","-I 4ad","88","","","Stolzite","- O4 Pb W -","- O16 Pb4 W4 -","- O16 Pb4 W4 -","","","","Chipaux, R.; Andre, G.; Cousson, A.","Crystal structure of lead tungstate at 1.4 and 300 K Sample: Bottom, T = 1.4 K Note: Scheelite structure","Journal of Alloys and Compounds","2001","325","","91","94","10.1016/S0925-8388(01)01367-6","","","","","","","","","","","","","","","","","","","","","has coordinates","282068","2023-03-26","10:25:10","" "9009848","5.909","","5.909","","23.369","","90","","90","","120","","706.641","","","","","","","","","","","","Quaternary volcanic rocks of the western Eifel area, Germany","8","P 63/m m c","-P 6c 2c","194","","","Batiferrite","- Ba0.84 Fe9.363 K0.05 Mg0.305 Na0.06 O19 Sr0.05 Ti2.328 -","- Ba0.84 Fe9.363 K0.05 Mg0.305 Na0.06 O19 Sr0.05 Ti2.328 -","- Ba1.68 Fe18.726 K0.1 Mg0.61 Na0.12 O38 Sr0.1 Ti4.656 -","2","0.0833333","","Lengauer, C. L.; Tillmanns, E.; Hentschel, G.","Batiferrite, Ba[Ti2Fe10]O19, a new ferrimagnetic magnetoplumbite-type mineral from the Quaternary volcanic rocks of the western Eifel area, Germany Note: z-coordinate of A-site altered because it was obviously a typo Locality: Quaternary volcanic rocks of the western Eifel area, Germany","Mineralogy and Petrology","2001","71","","1","19","10.1007/s007100170042","","","","","","","","","","","","","","","","","","","","","has coordinates","283960","2023-05-23","08:42:08","" "9009953","7.154","","9.126","","8.949","","91.88","","98.8","","77.05","","562.694","","","","","","","","","","","","Falotta deposit, Switzerland","9","P -1","-P 1","2","","","Tinzenite","- Al1.88 B Ca1.42 Fe0.21 H0.5 Mg0.03 Mn1.46 O16 Si4 -","- Al1.88 B Ca1.42 Fe0.21 H Mg0.03 Mn1.46 O16 Si4 -","- Al3.76 B2 Ca2.84 Fe0.42 H2 Mg0.06 Mn2.92 O32 Si8 -","2","1","","Belokoneva E L; Goryunova A N; Pletnev P A; Spiridonov E M","Crystal structure of high-manganese tinzenite from the Falotta deposit in Switzerland","Crystallography Reports","2001","46","","30","32","10.1134/1.1343122","","","","","","","","","","","","","","","","","","","","","has coordinates","283866","2023-05-18","12:54:10","" "9009986","8.3212","","2.9377","","4.6644","","90","","90","","90","","114.022","","","","","","","","","","","","near Nice, France","4","P m m a","-P 2a 2a","51","","","Theoparacelsite","- As0.667 Cu H2.752 O3 -","- As0.66667 Cu H0.66666 O3 -","- As1.33334 Cu2 H1.33332 O6 -","2","0.25","","Sarp H; Cerny R","Theoparacelsite, Cu3(OH)2As2O7, a new mineral: its description and crystal structure","Archives des Sciences, Geneve","2001","54","","7","14","","","","","","","","","","","","","","","","","","","","","","has coordinates","283911","2023-05-21","08:37:45","" "9010718","49.49","","4.1259","","21.828","","90","","99.62","","90","","4394.4","","","","","","","","","","","","Buca della Vena mine, Tuscany, Italy","5","C 1 2/m 1","-C 2y","12","","","Pillaite","- Cl O0.5 Pb9.167 S23 Sb9.833 -","- Cl4 O2 Pb36.6666 S92 Sb39.3334 -","- Cl4 O2 Pb36.6666 S92 Sb39.3334 -","","","","Meerschaut, A.; Palvadeau, P.; Moello, Y.; Orlandi, P.","Lead-antimony sulfosalts from Tuscany (Italy). IV. Crystal structure of pillaite, Pb9Sb10S23ClO0.5, an expanded monoclinic derivative of hexagonal Bi(Bi2S3)9I3, from the zinkenite group Locality: Buca della Vena mine, Tuscany, Italy Note: changed Pb2(z) to 0.2572 to match reported bond distances","European Journal of Mineralogy","2001","13","","779","790","10.1127/0935-1221/2001/0013-0779","","","","","","","","","","","","","","","","","","","","","has coordinates","282068","2023-03-26","10:25:51","" "9011523","10.028","","8.408","","13.339","","90.01","","109.1","","90","","1062.77","","","","","","","","","","","","amazonite pegmatite, Heftetjern, Tordal, Telemark, Norway","7","C 1","C 1","1","","","Kristiansenite","- Ca4 Fe0.41 H2 O28 Sc1.52 Si8 Sn2.07 -","- Ca4 Fe0.41 H2 O28 Sc1.52 Si8 Sn2.07 -","- Ca8 Fe0.82 H4 O56 Sc3.04 Si16 Sn4.14 -","2","","","Ferraris, G.; Gula, A.; Ivaldi, G.; Nespolo, M.; Raade, G.","Crystal structure of kristiansenite: a case of class IIB twinning by metric merohedry Locality: amazonite pegmatite, Heftetjern, Tordal, Telemark, Norway","Zeitschrift fur Kristallographie","2001","216","","442","448","","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:49","" "9011816","9.3417","","9.3417","","12.824","","90","","90","","120","","969.183","","","","","","","","","","","","Synthetic","4","P -3 c 1","-P 3 2""c","165","","","Cejkaite","- C3 Na4 O11 U -","- C12 Na16 O44 U4 -","- C12 Na16 O44 U4 -","","","","Yaping, L.; Krivichev, S. V.; Burns, P. C.","The crystal structure of Na4(UO2)(CO3)3 and its relationship to schrockingerite Locality: synthetic","Mineralogical Magazine","2001","65","","297","304","10.1180/002646101550262","","","","","","","","","","","","","","","","","","","","","has coordinates","282068","2023-03-26","10:27:04","" "9011817","8.839","","13.035","","7.175","","90","","116.11","","90","","742.316","","","","","","","","","","","","Synthetic","4","C 1 2/m 1","-C 2y","12","","","Rubicline","- Al1.062 O8 Rb0.811 Si3 -","- Al4.248 O32 Rb3.244 Si12 -","- Al4.248 O32 Rb3.244 Si12 -","","","","Kyono, A.; Kimata, M.","Refinement of the crystal structure of a synthetic non-stoichiometric Rb-feldspar","Mineralogical Magazine","2001","65","4","523","531","10.1180/002646101750377542","","","","","","","","","","","","","","","","","","","","","has coordinates","282068","2023-03-26","10:27:04","" "9011940","6.936","","7.382","","7.443","","90","","94.3","","90","","380.02","","","","","","","","","","","","","5","I 1 2/m 1","-I 2y","12","","","Novgorodovaite","- C H2 Ca Cl O3 -","- C H2 Ca Cl O3 -","- C4 H8 Ca4 Cl4 O12 -","4","0.5","","Rastsvetaeva, R. K.; Chukanov, N. V.; Nekrasov, Y. V.","Crystal structure of novgorodovaite, Ca2(C2O4)Cl2*2H2O","Doklady Akademii Nauk SSSR","2001","381","","353","355","","","","","","","","","","","","","","","","","","","","","","has coordinates","283850","2023-05-18","07:16:48","" "9012244","9.406","","9.881","","8.612","","90","","90.58","","90","","800.364","","","","","","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- Ga H4 N O8 P2 Zn -","- Ga4 H16 N4 O32 P8 Zn4 -","- Ga4 H16 N4 O32 P8 Zn4 -","","","","Logar, N. Z.; Mrak, M.; Kaucic, V.","Syntheses and structures of two ammonium zinc gallophosphates: analcime and paracelsian analogs Sample: Paracelsian analog","Journal of Solid State Chemistry","2001","156","","480","486","10.1006/jssc.2000.9027","","","","","","","","","","","","","","","","","","","","","has coordinates","282068","2023-03-26","10:29:43","" "9012245","13.456","","13.456","","13.456","","90","","90","","90","","2436.4","","","","","","","","","","","","","6","I 21 3","I 2b 2c 3","199","","","","- Ga H8 N2 O12 P3 Zn2 -","- Ga7.99992 H64 N16 O96 P24 Zn16.0001 -","- Ga7.99992 H64 N16 O96 P24 Zn16.0001 -","","","","Logar, N. Z.; Mrak, M.; Kaucic, V.","Syntheses and structures of two ammonium zinc gallophosphates: analcime and paracelsian analogs Sample: analcime analog Note: changed O1(x,y) and O3(x,y,z) to match reported bond distances","Journal of Solid State Chemistry","2001","156","","480","486","10.1006/jssc.2000.9027","","","","","","","","","","","","","","","","","","","","","has coordinates","282068","2023-03-26","10:29:43","" "9012246","9.30131","","9.4976","","9.2685","","98.71","","98.953","","60.228","","699.418","","","","","","","","","","","","","5","P -1","-P 1","2","","","","- H6 In2 Na2 O17 P4 -","- H6 In2 Na2 O17 P4 -","- H12 In4 Na4 O34 P8 -","2","1","","Mi, J. X.; Huang, Y. X.; Mao, S. Y.; Huang, X. D.; Wei, Z. B.; Huang, Z. L.; Zhao, J. T.","Hydrothermal synthesis and crystal structure of Na2In2[PO3(OH)]4*H2O with a new structure type","Journal of Solid State Chemistry","2001","157","","213","219","10.1006/jssc.2000.9077","","","","","","","","","","","","","","","","","","","","","has coordinates","283850","2023-05-18","07:16:48","" "9012247","2.851","","12.12","","3.736","","90","","90","","90","","129.094","","","","296.15","","","","","","","","Synthetic","3","C m c m","-C 2c 2","63","","","Boehmite","- Al H O2 -","- Al H O2 -","- Al4 H4 O8 -","4","0.25","","Bokhimi, X.; Toledo-Antonio J A; Guzman-Castillo M L; Hernandez-Beltran F","Relationship between crystallite size and bond lengths in boehmite Sample: preparation T = 23 C","Journal of Solid State Chemistry","2001","159","","32","40","10.1006/jssc.2001.9124","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:49","" "9012248","2.8796","","12.205","","3.761","","90","","90","","90","","132.182","","","","303.15","","","","","","","","Synthetic","3","C m c m","-C 2c 2","63","","","Boehmite","- Al H O2 -","- Al H O2 -","- Al4 H4 O8 -","4","0.25","","Bokhimi, X.; Toledo-Antonio J A; Guzman-Castillo M L; Hernandez-Beltran F","Relationship between crystallite size and bond lengths in boehmite Sample: preparation T = 30 C","Journal of Solid State Chemistry","2001","159","","32","40","10.1006/jssc.2001.9124","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:49","" "9012249","2.8675","","12.274","","3.733","","90","","90","","90","","131.386","","","","323.15","","","","","","","","Synthetic","3","C m c m","-C 2c 2","63","","","Boehmite","- Al H O2 -","- Al H O2 -","- Al4 H4 O8 -","4","0.25","","Bokhimi, X.; Toledo-Antonio J A; Guzman-Castillo M L; Hernandez-Beltran F","Relationship between crystallite size and bond lengths in boehmite Sample: preparation T = 50 C","Journal of Solid State Chemistry","2001","159","","32","40","10.1006/jssc.2001.9124","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:49","" "9012250","2.8686","","12.265","","3.715","","90","","90","","90","","130.706","","","","373.15","","","","","","","","Synthetic","3","C m c m","-C 2c 2","63","","","Boehmite","- Al H O2 -","- Al H O2 -","- Al4 H4 O8 -","4","0.25","","Bokhimi, X.; Toledo-Antonio J A; Guzman-Castillo M L; Hernandez-Beltran F","Relationship between crystallite size and bond lengths in boehmite Sample: preparation T = 100 C","Journal of Solid State Chemistry","2001","159","","32","40","10.1006/jssc.2001.9124","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:49","" "9012251","2.8695","","12.232","","3.6945","","90","","90","","90","","129.676","","","","413.15","","","","","","","","Synthetic","3","C m c m","-C 2c 2","63","","","Boehmite","- Al H O2 -","- Al H O2 -","- Al4 H4 O8 -","4","0.25","","Bokhimi, X.; Toledo-Antonio J A; Guzman-Castillo M L; Hernandez-Beltran F","Relationship between crystallite size and bond lengths in boehmite Sample: preparation T = 140 C","Journal of Solid State Chemistry","2001","159","","32","40","10.1006/jssc.2001.9124","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:49","" "9012252","2.8681","","12.2256","","3.6941","","90","","90","","90","","129.531","","","","453.15","","","","","","","","Synthetic","3","C m c m","-C 2c 2","63","","","Boehmite","- Al H O2 -","- Al H O2 -","- Al4 H4 O8 -","4","0.25","","Bokhimi, X.; Toledo-Antonio J A; Guzman-Castillo M L; Hernandez-Beltran F","Relationship between crystallite size and bond lengths in boehmite Sample: preparation T = 180 C","Journal of Solid State Chemistry","2001","159","","32","40","10.1006/jssc.2001.9124","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:49","" "9012253","2.8678","","12.2188","","3.6941","","90","","90","","90","","129.445","","","","513.15","","","","","","","","Synthetic","3","C m c m","-C 2c 2","63","","","Boehmite","- Al H O2 -","- Al H O2 -","- Al4 H4 O8 -","4","0.25","","Bokhimi, X.; Toledo-Antonio J A; Guzman-Castillo M L; Hernandez-Beltran F","Relationship between crystallite size and bond lengths in boehmite Sample: preparation T = 240 C","Journal of Solid State Chemistry","2001","159","","32","40","10.1006/jssc.2001.9124","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:49","" "9012254","10.435","","7.345","","7.553","","90","","90","","90","","578.9","","","","","","","","","","","","Synthetic","4","P n m a","-P 2ac 2n","62","","","","- F7 In Mg Na2 -","- F28 In4 Mg4 Na8 -","- F28 In4 Mg4 Na8 -","","","","Caramanian, A.; Souron, J. P.; Gredin, P.; de Kozak, A.","The crystal structure of the weberite Na2MgInF7","Journal of Solid State Chemistry","2001","159","","234","238","10.1006/jssc.2001.9184","","","","","","","","","","","","","","","","","","","","","has coordinates","282068","2023-03-26","10:29:43","" "9012255","3.15886","","9.9958","","9.6776","","90","","90","","90","","305.573","","","","300","","","","","","","","Synthetic","3","P b c m","-P 2c 2b","57","","","Marokite","- Ca Mn2 O4 -","- Ca4 Mn8 O16 -","- Ca4 Mn8 O16 -","","","","Ling, C. D.; Neumeier, J. J.; Argyriou, D. N.","Observation of antiferromagnetism in marokite CaMn2O4 Sample: T = 300 K","Journal of Solid State Chemistry","2001","160","","167","173","10.1006/jssc.2001.9214","","","","","","","","","","","","","","","","","","","","","has coordinates","282068","2023-03-26","10:29:43","" "9012256","3.14685","","9.9528","","9.67166","","90","","90","","90","","302.916","","","","20","","","","","","","","Synthetic","3","P b c m","-P 2c 2b","57","","","Marokite","- Ca Mn2 O4 -","- Ca4 Mn8 O16 -","- Ca4 Mn8 O16 -","","","","Ling, C. D.; Neumeier, J. J.; Argyriou, D. N.","Observation of antiferromagnetism in marokite CaMn2O4 Sample: T = 20 K","Journal of Solid State Chemistry","2001","160","","167","173","10.1006/jssc.2001.9214","","","","","","","","","","","","","","","","","","","","","has coordinates","282068","2023-03-26","10:29:43","" "9012257","5.5386","","5.5386","","5.5386","","90","","90","","90","","169.903","","","","","","","","","","","","","3","P 21 3","P 2ac 2ab 3","198","","","","- Ni P S -","- Ni4 P4 S4 -","- Ni4 P4 S4 -","","","","Foecker, A. J.; Jeitschko, W.","The atomic order of the pnictogen and chalcogen atoms in equiatomic ternary compounds TPnCh (T = Ni, Pd; Pn = P, As, Sb; Ch = S, Se, Te)","Journal of Solid State Chemistry","2001","162","","69","78","10.1006/jssc.2001.9342","","","","","","","","","","","","","","","","","","","","","has coordinates","282068","2023-03-26","10:29:43","" "9012258","5.6888","","5.6888","","5.6888","","90","","90","","90","","184.103","","","","","","","","","","","","Synthetic","3","P 21 3","P 2ac 2ab 3","198","","","Gersdorffite-P213","- As Ni S -","- As4 Ni4 S4 -","- As4 Ni4 S4 -","","","","Foecker, A. J.; Jeitschko, W.","The atomic order of the pnictogen and chalcogen atoms in equiatomic ternary compounds TPnCh (T = Ni, Pd; Pn = P, As, Sb; Ch = S, Se, Te)","Journal of Solid State Chemistry","2001","162","","69","78","10.1006/jssc.2001.9342","","","","","","","","","","","","","","","","","","","","","has coordinates","282068","2023-03-26","10:29:43","" "9012259","5.9341","","5.9341","","5.9341","","90","","90","","90","","208.961","","","","","","","","","","","","Synthetic","3","P 21 3","P 2ac 2ab 3","198","","","Ullmannite","- Ni S Sb -","- Ni4 S4 Sb4 -","- Ni4 S4 Sb4 -","","","","Foecker, A. J.; Jeitschko, W.","The atomic order of the pnictogen and chalcogen atoms in equiatomic ternary compounds TPnCh (T = Ni, Pd; Pn = P, As, Sb; Ch = S, Se, Te)","Journal of Solid State Chemistry","2001","162","","69","78","10.1006/jssc.2001.9342","","","","","","","","","","","","","","","","","","","","","has coordinates","282068","2023-03-26","10:29:43","" "9012260","5.8469","","5.8469","","5.8469","","90","","90","","90","","199.884","","","","","","","","","","","","Synthetic","3","P 21 3","P 2ac 2ab 3","198","","","Jolliffeite","- As Ni Se -","- As4 Ni4 Se4 -","- As4 Ni4 Se4 -","","","","Foecker, A. J.; Jeitschko, W.","The atomic order of the pnictogen and chalcogen atoms in equiatomic ternary compounds TPnCh (T = Ni, Pd; Pn = P, As, Sb; Ch = S, Se, Te)","Journal of Solid State Chemistry","2001","162","","69","78","10.1006/jssc.2001.9342","","","","","","","","","","","","","","","","","","","","","has coordinates","282068","2023-03-26","10:29:43","" "9012261","6.0868","","6.0868","","6.0868","","90","","90","","90","","225.511","","","","","","","","","","","","","3","P 21 3","P 2ac 2ab 3","198","","","","- Ni Sb Se -","- Ni4 Sb4 Se4 -","- Ni4 Sb4 Se4 -","","","","Foecker, A. J.; Jeitschko, W.","The atomic order of the pnictogen and chalcogen atoms in equiatomic ternary compounds TPnCh (T = Ni, Pd; Pn = P, As, Sb; Ch = S, Se, Te)","Journal of Solid State Chemistry","2001","162","","69","78","10.1006/jssc.2001.9342","","","","","","","","","","","","","","","","","","","","","has coordinates","282068","2023-03-26","10:29:43","" "9012262","5.9507","","5.9507","","5.9507","","90","","90","","90","","210.719","","","","","","","","","","","","Synthetic","3","P 21 3","P 2ac 2ab 3","198","","","Hollingworthite","- As Pd S -","- As4 Pd4 S4 -","- As4 Pd4 S4 -","","","","Foecker, A. J.; Jeitschko, W.","The atomic order of the pnictogen and chalcogen atoms in equiatomic ternary compounds TPnCh (T = Ni, Pd; Pn = P, As, Sb; Ch = S, Se, Te)","Journal of Solid State Chemistry","2001","162","","69","78","10.1006/jssc.2001.9342","","","","","","","","","","","","","","","","","","","","","has coordinates","282068","2023-03-26","10:29:43","" "9012263","6.0948","","6.0948","","6.0948","","90","","90","","90","","226.401","","","","","","","","","","","","Synthetic","3","P 21 3","P 2ac 2ab 3","198","","","Kalungaite","- As Pd Se -","- As4 Pd4 Se4 -","- As4 Pd4 Se4 -","","","","Foecker, A. J.; Jeitschko, W.","The atomic order of the pnictogen and chalcogen atoms in equiatomic ternary compounds TPnCh (T = Ni, Pd; Pn = P, As, Sb; Ch = S, Se, Te)","Journal of Solid State Chemistry","2001","162","","69","78","10.1006/jssc.2001.9342","","","","","","","","","","","","","","","","","","","","","has coordinates","282068","2023-03-26","10:29:43","" "9012264","6.324","","6.324","","6.324","","90","","90","","90","","252.916","","","","","","","","","","","","Synthetic","3","P 21 3","P 2ac 2ab 3","198","","","Milotaite","- Pd Sb Se -","- Pd4 Sb4 Se4 -","- Pd4 Sb4 Se4 -","","","","Foecker, A. J.; Jeitschko, W.","The atomic order of the pnictogen and chalcogen atoms in equiatomic ternary compounds TPnCh (T = Ni, Pd; Pn = P, As, Sb; Ch = S, Se, Te)","Journal of Solid State Chemistry","2001","162","","69","78","10.1006/jssc.2001.9342","","","","","","","","","","","","","","","","","","","","","has coordinates","282068","2023-03-26","10:29:43","" "9012265","6.5362","","6.5362","","6.5362","","90","","90","","90","","279.239","","","","","","","","","","","","Synthetic","3","P 21 3","P 2ac 2ab 3","198","","","Testibiopalladite","- Pd Sb Te -","- Pd4 Sb4 Te4 -","- Pd4 Sb4 Te4 -","","","","Foecker, A. J.; Jeitschko, W.","The atomic order of the pnictogen and chalcogen atoms in equiatomic ternary compounds TPnCh (T = Ni, Pd; Pn = P, As, Sb; Ch = S, Se, Te)","Journal of Solid State Chemistry","2001","162","","69","78","10.1006/jssc.2001.9342","","","","","","","","","","","","","","","","","","","","","has coordinates","282068","2023-03-26","10:29:43","" "9012266","5.479","","5.479","","5.479","","90","","90","","90","","164.477","","","","","","","","","","","","","3","P a -3","-P 2ac 2ab 3","205","","","","- Ni P1.86 Se0.14 -","- Ni4 P7.44 Se0.56 -","- Ni4 P7.44 Se0.56 -","","","","Foecker, A. J.; Jeitschko, W.","The atomic order of the pnictogen and chalcogen atoms in equiatomic ternary compounds TPnCh (T = Ni, Pd; Pn = P, As, Sb; Ch = S, Se, Te)","Journal of Solid State Chemistry","2001","162","","69","78","10.1006/jssc.2001.9342","","","","","","","","","","","","","","","","","","","","","has coordinates","282068","2023-03-26","10:29:43","" "9012267","5.901","","5.901","","5.901","","90","","90","","90","","205.483","","","","","","","","","","","","Synthetic","3","P a -3","-P 2ac 2ab 3","205","","","Penroseite","- Ni P0.24 Se1.76 -","- Ni4 P0.96 Se7.04 -","- Ni4 P0.96 Se7.04 -","","","","Foecker, A. J.; Jeitschko, W.","The atomic order of the pnictogen and chalcogen atoms in equiatomic ternary compounds TPnCh (T = Ni, Pd; Pn = P, As, Sb; Ch = S, Se, Te)","Journal of Solid State Chemistry","2001","162","","69","78","10.1006/jssc.2001.9342","","","","","","","","","","","","","","","","","","","","","has coordinates","282068","2023-03-26","10:29:43","" "9012268","3.9158","","3.9158","","5.2011","","90","","90","","120","","69.066","","","","","","","","","","","","Synthetic","3","P 63/m m c","-P 6c 2c","194","","","Hexatestibiopanickelite","- Ni0.766 Sb0.5 Te0.5 -","- Ni1.532 Sb Te -","- Ni1.532 Sb Te -","","","","Foecker, A. J.; Jeitschko, W.","The atomic order of the pnictogen and chalcogen atoms in equiatomic ternary compounds TPnCh (T = Ni, Pd; Pn = P, As, Sb; Ch = S, Se, Te)","Journal of Solid State Chemistry","2001","162","","69","78","10.1006/jssc.2001.9342","","","","","","","","","","","","","","","","","","","","","has coordinates","282068","2023-03-26","10:29:46","" "9012269","13.594","","5.8317","","5.8583","","90","","90","","90","","464.423","","","","","","","","","","","","","3","P b c n","-P 2n 2ab","60","","","","- P Pd Se -","- P8 Pd8 Se8 -","- P8 Pd8 Se8 -","","","","Foecker, A. J.; Jeitschko, W.","The atomic order of the pnictogen and chalcogen atoms in equiatomic ternary compounds TPnCh (T = Ni, Pd; Pn = P, As, Sb; Ch = S, Se, Te)","Journal of Solid State Chemistry","2001","162","","69","78","10.1006/jssc.2001.9342","","","","","","","","","","","","","","","","","","","","","has coordinates","282068","2023-03-26","10:29:46","" "9012368","8.2912","","8.2912","","8.2912","","90","","90","","90","","569.97","","","","","","","","","","","","","4","P 21 3","P 2ac 2ab 3","198","","","","- Cl Hg3 O4 P -","- Cl4 Hg12 O16 P4 -","- Cl4 Hg12 O16 P4 -","","","","Weil, M.","Preparation and crystal structures of (Hg3)(PO4)Cl, (Hg3)(AsO4)Cl and (Hg3)(AsO4)Br - mercury compounds with the triangular Hg4+3 cluster","Zeitschrift fur Naturforschung B","2001","56","","753","758","","","","","","","","","","","","","","","","","","","","","","has coordinates","282068","2023-03-26","10:29:59","" "9012369","8.3983","","8.3983","","8.3983","","90","","90","","90","","592.344","","","","","","","","","","","","Synthetic","4","P 21 3","P 2ac 2ab 3","198","","","Kuznetsovite","- As Cl Hg3 O4 -","- As4 Cl4 Hg12 O16 -","- As4 Cl4 Hg12 O16 -","","","","Weil, M.","Preparation and crystal structures of (Hg3)(PO4)Cl, (Hg3)(AsO4)Cl and (Hg3)(AsO4)Br - mercury compounds with the triangular Hg4+3 cluster","Zeitschrift fur Naturforschung B","2001","56","","753","758","","","","","","","","","","","","","","","","","","","","","","has coordinates","282068","2023-03-26","10:29:59","" "9012370","8.4611","","8.4611","","8.4611","","90","","90","","90","","605.732","","","","","","","","","","","","","4","P 21 3","P 2ac 2ab 3","198","","","","- As Br Hg3 O4 -","- As4 Br4 Hg12 O16 -","- As4 Br4 Hg12 O16 -","","","","Weil, M.","Preparation and crystal structures of (Hg3)(PO4)Cl, (Hg3)(AsO4)Cl and (Hg3)(AsO4)Br - mercury compounds with the triangular Hg4+3 cluster","Zeitschrift fur Naturforschung B","2001","56","","753","758","","","","","","","","","","","","","","","","","","","","","","has coordinates","282068","2023-03-26","10:29:59","" "9012643","10.589","","10.217","","7.355","","90","","92.91","","90","","794.695","","","","","","","","","","","","Alluaiv mountain, Lovozero massif, Kola Peninsula, Russia","12","C 1 m 1","C -2y","8","","","Litvinskite","- Al0.18 Ca0.01 Fe0.01 H10 Hf0.01 K0.01 Mn0.14 Na2.51 O18.45 Si5.82 Ti0.01 Zr0.96 -","- Al0.18 Ca0.01 Fe0.01 H6.9 Hf0.01 K0.01 Mn0.14 Na2.51 O18.45 Si5.82 Ti0.01 Zr0.96 -","- Al0.36 Ca0.02 Fe0.02 H13.8 Hf0.02 K0.02 Mn0.28 Na5.02 O36.9 Si11.64 Ti0.02 Zr1.92 -","2","0.5","","Yamnova, N. A.; Egorov-Tismenko Y K; Pekov, I. V.; Ekimenkova, I. A.","Crystal structure of litvinskite: A new natural member of the lovozerite group Locality: Alluaiv mountain, Lovozero massif, Kola Peninsula, Russia","Crystallography Reports","2001","46","","190","193","10.1134/1.1358391","","","","","","","","","","","","","","","","","","","","","has coordinates","283910","2023-05-21","08:17:59","" "9012644","5.762","","14.988","","5.246","","90","","90","","90","","453.049","","","","","","","","","","","","Ust'-Biran deposit","5","P c a n","-P 2n 2c","60","","","Fersmite","- Ca0.89 Ce0.11 Nb1.3 O6 Ti0.7 -","- Ca3.56 Ce0.44 Nb5.2 O24 Ti2.8 -","- Ca3.56 Ce0.44 Nb5.2 O24 Ti2.8 -","","","","Gurbanova, O. A.; Rastsvetaeva, R. K.; Kashaev, A. A.; Smolin, A. S.","Refined crystal structure of TR-fersmite (TR = Ce)","Crystallography Reports","2001","46","","194","195","10.1134/1.1358392","","","","","","","","","","","","","","","","","","","","","has coordinates","282068","2023-03-26","10:30:12","" "9012645","14.239","","14.239","","60.733","","90","","90","","120","","10663.9","","","","","","","","","","","","Eveslogchorr mountain","14","R 3 :H","R 3","146","","","Labyrinthite","- Ca12 Ce0.102 Cl2.68 F0.68 Fe2.19 H11.56 K1.452 Mn0.81 Na34.53 O151.54 Si51.2 Sr0.735 Ti0.52 Zr6 -","- Ca12 Ce0.102 Cl2.68 F0.68 Fe2.19 H10.38 K1.452 Mn0.81 Na34.53 O151.54 Si51.2 Sr0.735 Ti0.52 Zr6 -","- Ca36 Ce0.306 Cl8.04 F2.04 Fe6.57 H31.14 K4.356 Mn2.43 Na103.59 O454.62 Si153.6 Sr2.205 Ti1.56 Zr18 -","3","0.333333","","Rastsvetaeva, R. K.; Khomyakov, A. P.","Modular structure of a sodium-rich analogue of eudialyte with the doubled c-parameter and the R3 symmetry","Crystallography Reports","2001","46","","752","757","10.1134/1.1405861","","","","","","","","","","","","","","","","","","","","","has coordinates","283907","2023-05-21","07:14:43","" "9012646","10.4974","","10.4974","","6.4309","","90","","90","","120","","613.714","","","","","","","","","","","","Vuoriyarvi, North Kareliya","9","P 63 m c","P 6c -2c","186","","","Calcioburbankite","- C5 Ba0.501 Ca1.437 Ce0.438 La0.243 Na2.667 Nd0.099 O15 Sr0.549 -","- C10 Ba1.002 Ca2.874 Ce0.876 La0.486 Na5.334 Nd0.198 O30 Sr1.098 -","- C10 Ba1.002 Ca2.874 Ce0.876 La0.486 Na5.334 Nd0.198 O30 Sr1.098 -","","","","Belovitskaya, Y. V.; Pekov, I. V.; Gobechiya, E. R.; Kabalov, Y. K.; Subbotin, V. V.","Crystal structure of calcioburbankite and the characteristic features of the burbankite structure type","Crystallography Reports","2001","46","","927","931","10.1134/1.1420820","","","","","","","","","","","","","","","","","","","","","has coordinates","282068","2023-03-26","10:30:12","" "9012647","10.18","","10.18","","13.13","","90","","90","","120","","1178.4","","","","","","","","","","","","Kola Peninsula, Russia","11","R 3 :H","R 3","146","","","Lovozerite","- Ca0.35 Fe0.14 H10.8 Hf0.03 K0.09 Mn0.08 Na2.39 O18.9 Si6 Ti0.03 Zr0.8 -","- Ca0.35 Fe0.14 H6.6 Hf0.03 K0.09 Mn0.08 Na2.39 O18.9 Si6 Ti0.03 Zr0.8 -","- Ca1.05 Fe0.42 H19.8 Hf0.09 K0.27 Mn0.24 Na7.17 O56.7 Si18 Ti0.09 Zr2.4 -","3","0.333333","","Yamnova, N. A.; Egorov-Tismenko Y K; Pekov, I. V.","Refined crystal structure of lovozerite Na2CaZr[Si6O12(OH,O)6]*H2O","Crystallography Reports","2001","46","","937","941","10.1134/1.1420822","","","","","","","","","","","","","","","","","","","","","has coordinates","283866","2023-05-18","12:55:07","" "9012718","5.497","","5.497","","20.864","","90","","90","","120","","545.984","","","","","","","","","","","","Synthetic","4","R -3 m :H","-R 3 2""","166","","","Palmierite","- K2 O8 Pb S2 -","- K6 O24 Pb3 S6 -","- K6 O24 Pb3 S6 -","","","","Tissot, R. G.; Rodriguez, M. A.; Sipola, D. L.; Voigt, J. A.","X-ray powder diffraction study of synthetic palmierite, K2Pb(SO4)2","Powder Diffraction","2001","16","","92","97","10.1154/1.1370567","","","","","","","","","","","","","","","","","","","","","has coordinates","282068","2023-03-26","10:30:12","" "9012751","6.67","","15.92","","6.985","","90","","90","","97.3","","735.7","","","","","","","","","","","","Strel'tsovskii ore field, Transbaikal region, Russia","5","P 1 1 21/b","-P 2bc","14","","","Uranophane - alpha","- Ca H12 O17 Si2 U2 -","- Ca H12 O17 Si2 U2 -","- Ca2 H24 O34 Si4 U4 -","2","0.5","","Barinova, A. V.; Rastsvetaeva, R. K.; Sidorenko, G. A.; Pushcharovsky, D. Y.","Crystal structure of high-symmetry alpha-uranophane","Doklady Chemistry","2001","378","","122","124","10.1023/A:1019246301667","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:49","" "9012773","12.053","","12.432","","7.2529","","90","","117.793","","90","","961.421","","","","","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","Bradaczekite","- As3 Cu4 Na O12 -","- As12 Cu16 Na4 O48 -","- As12 Cu16 Na4 O48 -","","","","Krivovichev, S. V.; Filatov, S. K.; Burns, P. C.","The Jahn-Teller distortion of copper coordination polyhedra in the alluaudite structural type: Crystal structure of bradaczekite, NaCu4(AsO4)3","Zapiski Vserossijskogo Mineralogicheskogo Obshchestva","2001","2001","","1","8","","","","","","","","","","","","","","","","","","","","","","has coordinates","282068","2023-03-26","10:30:12","" "9012799","9.502","","9.502","","37.116","","90","","90","","120","","2902.16","","","","","","","","","","","","","6","R -3 c :H","-R 3 2""c","167","","","","- Ba3 Fe0.526 H6 In0.475 O24 P6 -","- Ba18 Fe3.1536 H36 In2.8476 O144 P36 -","- Ba18 Fe3.1536 H36 In2.8476 O144 P36 -","","","","Tang, X.; Gentiletti, M. J.; Lachgar, A.; Morozov, V. A.; Lazoryak, B. I.","The pillared layered framework of Ba3(In1-xMx)2(HXO4)6(0<=x<=1; M=Fe,Cr; X=P, As): synthesis, crystal structure, thermal stability and Mossbauer spectroscopy","Solid State Sciences","2001","3","","143","153","10.1016/S1293-2558(00)01118-3","","","","","","","","","","","","","","","","","","","","","has coordinates","282068","2023-03-26","10:30:34","" "9013064","10.289","","9.234","","11.015","","90","","108.5","","90","","992.44","","","","","","","","","","","","Alum Cave Bluff, Great Smoky Mountains National Park, Tennessee","14","P 1 2/n 1","-P 2yac","13","","","Levinsonite-(Y)","- C2 H24 Al Ce0.12 Dy0.04 Eu0.02 Gd0.08 La0.03 Nd0.23 O24 Pr0.03 S2 Sm0.12 Y0.33 -","- C2 H24 Al Ce0.12 Dy0.04 Eu0.02 Gd0.08 La0.03 Nd0.23 O24 Pr0.03 S2 Sm0.12 Y0.33 -","- C4 H48 Al2 Ce0.24 Dy0.08 Eu0.04 Gd0.16 La0.06 Nd0.46 O48 Pr0.06 S4 Sm0.24 Y0.66 -","2","0.5","","Rouse, R. C.; Peacor, D. R.; Essene, E. J.; Coskren, T. D.; Lauf, R. J.","The new minerals levinsonite-(Y) [(Y,Nd,Ce)Al(SO4)2(C2O4)*12H2O] and zugshunstite-(Ce) [(Ce,Nd,La)Al(SO4)2(C2O4)*12H2O]: coexisting oxalates with different structures and differentiation of LREE and HREE","Geochimica et Cosmochimica Acta","2001","65","","1101","1115","10.1016/S0016-7037(00)00568-8","","","","","","","","","","","","","","","","","","","","","has coordinates","283868","2023-05-18","14:40:10","" "9013065","8.718","","18.313","","13.128","","90","","93.9","","90","","2091.07","","","","","","","","","","","","Alum Cave Bluff, Great Smoky Mountains National Park, Tennessee","10","C 1 2/c 1","-C 2yc","15","","","Zugshunstite-(Ce)","- C2 H24 Al Ce0.54 La0.09 Nd0.26 O24 Pr0.07 S2 Sm0.04 -","- C2 H24 Al Ce0.54 La0.09 Nd0.26 O24 Pr0.07 S2 Sm0.04 -","- C8 H96 Al4 Ce2.16 La0.36 Nd1.04 O96 Pr0.28 S8 Sm0.16 -","4","0.5","","Rouse, R. C.; Peacor, D. R.; Essene, E. J.; Coskren, T. D.; Lauf, R. J.","The new minerals levinsonite-(Y) [(Y,Nd,Ce)Al(SO4)2(C2O4)*12H2O] and zugshunstite-(Ce) [(Ce,Nd,La)Al(SO4)2(C2O4)*12H2O]: coexisting oxalates with different structures and differentiation of LREE and HREE","Geochimica et Cosmochimica Acta","2001","65","","1101","1115","10.1016/S0016-7037(00)00568-8","","","","","","","","","","","","","","","","","","","","","has coordinates","283850","2023-05-18","07:16:48","" "9013109","7.886","","4.656","","4.667","","90","","90","","90","","171.359","","","","","","","","135000000","","","","","1","C m c e","-C 2ac 2","64","Germanium","","","- Ge -","- Ge16 -","- Ge16 -","","","","Takemura, K.; Schwarz, U.; Syassen, K.; Christensen, N. E.; Hanfland, M.; Novikov, D. L.; Loa, I.","High-pressure structures of Ge above 100 GPa Locality: sytnthetic Sample: at P = 135 GPa Note: structure theoretically calculated based on experimental data","Physica Status Solidi B","2001","223","","385","390","10.1002/1521-3951(200101)223:2<385::AID-PSSB385>3.0.CO;2-E","","","","","","","","","","","","","","","","","","","","","has coordinates","287588","2023-11-14","18:05:45","" "9014088","5.849","","8.79","","13.132","","90","","90","","90","","675.152","","","","","","","","","","","","Synthetic","5","C m c m","-C 2c 2","63","","","Lawsonite","- Al2 Ca H4 O10 Si2 -","- Al2 Ca H4 O10 Si2 -","- Al8 Ca4 H16 O40 Si8 -","4","0.25","","Pawley, A. R.; Allan, D. R.","A high-pressure study of lawsonite using angle-dispersive powder-diffraction methods with synchrotron radiation Note: Run #BN82, P = 0 GPa","Mineralogical Magazine","2001","65","","41","58","10.1180/002646101550118","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:51","" "9014279","14.3196","","5.7413","","5.0624","","90","","90","","90","","416.196","","","","","","","","","","","","Brazil","5","P b c n","-P 2n 2ab","60","","","Tantalite-(Mn)","- Fe0.09 Mn0.88 Nb0.28 O6 Ta1.72 -","- Fe0.36 Mn3.52 Nb1.12 O24 Ta6.88 -","- Fe0.36 Mn3.52 Nb1.12 O24 Ta6.88 -","","","","dos Santos, C. A.; Zawislak, L. I.; Kinast, E. J.; Antonietti, V.; da Cunha, J. B. M.","Crystal chemistry and structure of the orthorhombic (Fe,Mn)(Ta,Nb)2O6 family of compounds Note: Sample Mn0.88Fe0.09Ta1.72Nb0.28O6","Brazilian Journal of Physics","2001","31","","616","631","10.1590/S0103-97332001000400012","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00","" "9014401","7.0897","","7.0897","","4.30238","","90","","90","","120","","187.282","","","","","","","","","","","","Synthetic","1","P 32 2 1","P 32 2""","154","","","Sulphur","- S -","- S9 -","- S9 -","","","","Crichton, W. A.; Vaughan, G. B. M.; Mezouar, M.","In situ structure solution of helical sulphur at 3 GPa and 400 deg C P = 3 GPa, T = 400 C","Zeitschrift fur Kristallographie","2001","216","","417","419","10.1524/zkri.216.8.417.20360","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00","" "9014892","6.86058","","13.17507","","6.89589","","90","","90","","90","","623.31","","","","","","","","","","","","Synthetic","4","P n m a","-P 2ac 2n","62","","","Scottyite","- Ba Cu2 O7 Si2 -","- Ba4 Cu8 O28 Si8 -","- Ba4 Cu8 O28 Si8 -","","","","Yamada, T.; Hiroi, Z.; Takano, M.","Spin-1/2 quantum antiferromagnetic chains with tunable superexchange interactions found in BaCu2(Si1-xGex)2O7","Journal of Solid State Chemistry","2001","156","","101","109","10.1006/jssc.2000.8968","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00","" "9015070","7.04765","","13.407","","7.02755","","90","","90","","90","","664.018","","","","","","","","","","","","Synthetic","4","P n m a","-P 2ac 2n","62","","","","- Ba Cu2 Ge2 O7 -","- Ba4 Cu8 Ge8 O28 -","- Ba4 Cu8 Ge8 O28 -","","","","Yamada, T.; Hiroi, Z.; Takano, M.","Spin-1/2 quantum antiferromagnetic chains with tunable superexchange interactions found in BaCu2(Si1-xGex)2O7","Journal of Solid State Chemistry","2001","156","","101","109","10.1006/jssc.2000.8968","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00","" "9015174","14.2737","","5.73543","","5.0554","","90","","90","","90","","413.864","","","","","","","","","","","","Brazil","4","P b c n","-P 2n 2ab","60","","","Columbite-(Fe)","- Fe Nb1.2 O6 Ta0.8 -","- Fe4 Nb4.8 O24 Ta3.2 -","- Fe4 Nb4.8 O24 Ta3.2 -","","","","dos Santos, C. A.; Zawislak, L. I.; Kinast, E. J.; Antonietti, V.; da Cunha, J. B. M.","Crystal chemistry and structure of the orthorhombic (Fe,Mn)(Ta,Nb)2O6 family of compounds Note: Sample Fe(Ta0.4Nb0.6)2O6","Brazilian Journal of Physics","2001","31","","616","631","10.1590/S0103-97332001000400012","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00","" "9015476","5.197","","12.863","","5.681","","90","","124.48","","90","","313.053","","","","","","","","","","","","Synthetic","5","P 1 21/m 1","-P 2yb","11","","","Lawsonite","- Al2 Ca H4 O10 Si2 -","- Al2 Ca H4 O10 Si2 -","- Al4 Ca2 H8 O20 Si4 -","2","0.5","","Pawley, A. R.; Allan, D. R.","A high-pressure study of lawsonite using angle-dispersive powder-diffraction methods with synchrotron radiation Note: Run #BN90, P = 11.9 GPa","Mineralogical Magazine","2001","65","","41","58","10.1180/002646101550118","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:51","" "9015900","5.714","","8.592","","12.871","","90","","90","","90","","631.898","","","","","","","","","","","","Synthetic","5","C m c m","-C 2c 2","63","","","Lawsonite","- Al2 Ca H4 O10 Si2 -","- Al2 Ca H4 O10 Si2 -","- Al8 Ca4 H16 O40 Si8 -","4","0.25","","Pawley, A. R.; Allan, D. R.","A high-pressure study of lawsonite using angle-dispersive powder-diffraction methods with synchrotron radiation Note: Run #BN89, P = 9.8 GPa","Mineralogical Magazine","2001","65","","41","58","10.1180/002646101550118","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:51","" "9016722","5.178","","12.787","","5.634","","90","","124.67","","90","","306.798","","","","","","","","","","","","Synthetic","5","P 1 21/m 1","-P 2yb","11","","","Lawsonite","- Al2 Ca H4 O10 Si2 -","- Al2 Ca H4 O10 Si2 -","- Al4 Ca2 H8 O20 Si4 -","2","0.5","","Pawley, A. R.; Allan, D. R.","A high-pressure study of lawsonite using angle-dispersive powder-diffraction methods with synchrotron radiation Note: Run #BN97, P = 16.5 GPa","Mineralogical Magazine","2001","65","","41","58","10.1180/002646101550118","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:52","" "9017209","12.035","","6.9294","","12.6705","","90","","90.266","","90","","1056.65","","","","","","","","","","","","","4","I 1 2 1","I 2y","5","","","Bassanite","- Ca2 H2 O9 S2 -","- Ca2 H2 O9 S2 -","- Ca12 H12 O54 S12 -","6","1.5","","Ballirano, P.; Maras, A.; Meloni, S.; Caminiti, R.","The monoclinic I2 structure of bassanite, calcium sulphate hemihydrate","European Journal of Mineralogy","2001","13","","985","993","","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:53","" "9017416","14.365","","13.887","","7.814","","90","","117.36","","90","","1384.42","","","","","","","","","","","","Khibiny alkaline massif, Kola peninsula, Russia","9","C 1 m 1","C -2y","8","","","Gutkovaite-Mn","- Ba0.1 Ca0.6 H9.8 K1.55 Mn0.89 Nb0.1 O32.9 Si8 Ti3.9 -","- Ba0.1 Ca0.6 H9.8 K1.55 Mn0.89 Nb0.1 O32.9 Si8 Ti3.9 -","- Ba0.2 Ca1.2 H19.6 K3.1 Mn1.78 Nb0.2 O65.8 Si16 Ti7.8 -","2","0.5","","Rastsvetaeva, R. K.; Pekov, I. V.; Nekrasov, Y. V.","Crystal structure and microtwinning of a calcium-rich analogue of labuntsovite","Crystallography Reports","2001","46","","365","367","","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:53","" "9017417","3.072","","12.516","","3.873","","90","","90","","90","","148.914","","","","","","","","","","","","natural but not given","3","C m c m","-C 2c 2","63","","","Lepidocrocite","- Fe H O2 -","- Fe4 H4 O8 -","- Fe4 H4 O8 -","","","","Zhukhlistov, A. P.","Crystal structure of lepidocrocite FeO(OH) from the electron-diffractometry data","Crystallography Reports","2001","46","","730","733","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","07:58:57","" "9017490","4.764","","10.229","","5.996","","90","","90","","90","","292.191","","","","","","","","","","","","Synthetic","4","P b n m","-P 2c 2ab","62","","","Forsterite","- Fe0.23 Mg1.77 O4 Si -","- Fe0.92 Mg7.08 O16 Si4 -","- Fe0.92 Mg7.08 O16 Si4 -","","","","Heuer, M.","The determination of site occupancies using a new strategy in Rietveld refinements Note: for calculation of powder patterns","Journal of Applied Crystallography","2001","34","","271","279","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","07:59:02","" "9017491","4.7645","","10.23467","","5.99727","","90","","90","","90","","292.445","","","","","","","","","","","","Synthetic","4","P b n m","-P 2c 2ab","62","","","Forsterite","- Fe0.23 Mg1.77 O4 Si -","- Fe0.92 Mg7.08 O16 Si4 -","- Fe0.92 Mg7.08 O16 Si4 -","","","","Heuer, M.","The determination of site occupancies using a new strategy in Rietveld refinements Note: results of the conventional Rietveld refinement on the whole data set","Journal of Applied Crystallography","2001","34","","271","279","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","07:59:02","" "9017492","4.762","","10.235","","5.998","","90","","90","","90","","292.337","","","","","","","","","","","","Synthetic","4","P b n m","-P 2c 2ab","62","","","Forsterite","- Fe0.23 Mg1.77 O4 Si -","- Fe0.92 Mg7.08 O16 Si4 -","- Fe0.92 Mg7.08 O16 Si4 -","","","","Heuer, M.","The determination of site occupancies using a new strategy in Rietveld refinements Note: results of the conventional refinement on single-crystal data","Journal of Applied Crystallography","2001","34","","271","279","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","07:59:02","" "9017774","7.268","","6.123","","3.543","","90","","90","","90","","157.67","","","","","","","","","","","","Synthetic","3","I m m m","-I 2 2","71","","","","- Al F5 Mg -","- Al F5 Mg -","- Al2 F10 Mg2 -","2","0.125","","Weil, M.; Werner, F.","The thermal dehydration of magnesium aluminum pentafluoride dihydrate: crystal structures of MgAlF5(H2O)2 and MgAlF5","Monatshefte fur Chemie","2001","132","","769","777","","","","","","","","","","","","","","","","","","","","","","has coordinates","283960","2023-05-23","08:42:12","" "9017847","4.9179","","4.9179","","12.5805","","90","","90","","120","","263.504","","","","","","","","","","","","Synthetic","1","R -3 m :H","-R 3 2""","166","","","Boron","- B -","- B36 -","- B36 -","","","","Will, G.; Kiefer, B.","Electron deformation density in alpha-boron Note: alpha-phase","Zeitschrift fur Anorganische und Allgemeine Chemie","2001","627","","2100","2104","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","08:29:26",""