# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2024-05-21T23:14:53+02:00
# Query:
# SELECT data.*
# FROM
#  data 
# WHERE
#  (status is null or status != 'retracted') and
#  (sg LIKE 'C m c a' AND duplicateof IS NULL AND (status is NULL OR status != 'errors') AND (method is NULL OR method != 'theoretical'))
# ORDER BY file asc
file,a,siga,b,sigb,c,sigc,alpha,sigalpha,beta,sigbeta,gamma,siggamma,vol,sigvol,celltemp,sigcelltemp,diffrtemp,sigdiffrtemp,cellpressure,sigcellpressure,diffrpressure,sigdiffrpressure,thermalhist,pressurehist,compoundsource,nel,sg,sgHall,sgNumber,commonname,chemname,mineral,formula,calcformula,cellformula,Z,Zprime,acce_code,authors,title,journal,year,volume,issue,firstpage,lastpage,doi,method,radiation,wavelength,radType,radSymbol,Rall,Robs,Rref,wRall,wRobs,wRref,RFsqd,RI,gofall,gofobs,gofgt,gofref,duplicateof,optimal,status,flags,svnrevision,date,time,onhold
"1000441","7.848","0.002","19.86699","0.004","10.773","0.003","90","","90","","90","","1679.7","","","","","","","","","","","","","5","C m c a","-C 2ac 2","64","","Distrontium pentfluoroferrate(III) aquapentafluoroferrate(III)","","- F10 Fe2 H2 O Sr2 -","- F10 Fe2 H2 O Sr2 -","- F80 Fe16 H16 O8 Sr16 -","8","","","Le Meins, J-M; Hemon-Ribaud, A; Courbion, G","Sr2 Fe2 F10 . (H2 O), the first hydrated strontium iron(III) fluoride","Acta Crystallographica C (39,1983-)","1997","53","","1165","1166","","","","","","","0.0772","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1005003","7.84","0.001","14.431","0.002","6.237","0.001","90","","90","","90","","705.6","","","","","","","","","","","","","3","C m c a","-C 2ac 2","64","","Niobium(II) cobalt telluride","","- Co Nb Te2 -","- Co Nb Te2 -","- Co8 Nb8 Te16 -","8","","","Li, J; Badding, M E; DiSalvo, F J","New layered ternary niobium tellurides: synthesis, structure and properties of NbMTe~2~ (M=Fe, Co)","Inorganic Chemistry","1992","31","","1050","1054","10.1021/ic00032a024","","","","","","0.029","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1005015","5.454","0.001","5.8098","0.0006","21.461","0.004","90","","90","","90","","680","","","","","","","","","","","","","2","C m c a","-C 2ac 2","64","","Gadolinium sulfide (0.96/1)","","- Gd0.957 S -","- Gd0.957 S -","- Gd7.656 S8 -","8","","","Rouxel, J; Moelo, Y; Lafond, A; DiSalvo, F J; Meerschaut, A; Roesky, R","Role of vacancies in misfit layered compounds: the case of the gadolinium chromium sulfide compound","Inorganic Chemistry","1994","33","","3358","3363","10.1021/ic00093a026","","","","","","0.054","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1008572","5.35","0.001","13.148","0.006","5.398","0.003","90","","90","","90","","379.7","","","","","","","","","","","","","3","C m c a","-C 2ac 2","64","","Lanthanum copper oxide (2/1/4)","","- Cu La2 O4 -","- Cu La2 O4 -","- Cu4 La8 O16 -","4","","","Chaillout, C; Bordet, P; Chenavas, J; Cheong, S W; Fisk, Z; Marezio, M; Morosin, B; Schirber, J E","Structural aspects of the phase separation in La~2~CuO~4.032~","Materials Research Society Symposia Proceedings","1990","169","","47","52","10.1557/PROC-169-47","","","","","","0.039","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1010091","7.255","","4.795","","9.78","","90","","90","","90","","340.2","","","","","","","","","","","","","1","C m c a","-C 2ac 2","64","","Diiodine","","- I2 -","- I2 -","- I8 -","4","","","Harris, P M; Mack, E; Blake, F C","The Atomic Arrangement in the Crystal of Orthorhombic Iodine","Journal of the American Chemical Society","1928","50","","1583","1600","10.1021/ja01393a009","","","","","","","","","","","","","","","","","","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1010096","16.67","","4.48","","8.72","","90","","90","","90","","651.2","","","","","","","","","","","","","1","C m c a","-C 2ac 2","64","","Bromine","","- Br -","- Br -","- Br8 -","8","","","Vonnegut, B; Warren, B E","The Structure of Crystalline Bromine","Journal of the American Chemical Society","1936","58","","2459","2461","10.1021/ja01303a030","","","","","","","","","","","","","","","","","","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506829","6.0381","0.0034","5.351","0.0012","8.359","0.0056","90","","90","","90","","270.1","0.2","295","2","295","2","","","","","","","","2","C m c a","-C 2ac 2","64","","carbon disulfide","","- C S2 -","- C S2 -","- C4 S8 -","4","","","Dziubek, Kamil F.; Katrusiak, Andrzej","Compression of Intermolecular Interactions in CS2Crystal","The Journal of Physical Chemistry B","2004","108","50","19089","","10.1021/jp0458250","","","0.71073","MoKα","","0.0337","0.0257","","","0.0486","0.0519","","","","","","1.21","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506830","5.8154","0.004","5.215","0.0015","8.0463","0.0058","90","","90","","90","","244","0.3","293","2","295","2","","","","","","","","2","C m c a","-C 2ac 2","64","","carbon disulfide","","- C S2 -","- C S2 -","- C4 S8 -","4","","","Dziubek, Kamil F.; Katrusiak, Andrzej","Compression of Intermolecular Interactions in CS2Crystal","The Journal of Physical Chemistry B","2004","108","50","19089","","10.1021/jp0458250","","","0.71073","MoKα","","0.0918","0.0738","","","0.184","0.1982","","","","","","1.349","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1507726","28.3019","0.0006","11.8093","0.0002","42.6587","0.0008","90","","90","","90","","14257.6","0.5","93","2","93","2","","","","","","","","6","C m c a","-C 2ac 2","64","","","","- C77 H86 N6 Ni O3 Si -","- C77 H87 N6 Ni O3 Si -","- C616 H696 N48 Ni8 O24 Si8 -","8","","","Anabuki, Shoma; Tokuji, Sumito; Aratani, Naoki; Osuka, Atsuhiro","Direct meso-Alkynylation of Porphyrins Doubly Assisted by Pyridyl Coordination.","Organic letters","2012","14","11","2778","2781","10.1021/ol301005b","","","1.54187","CuKα","","0.1275","0.0877","","","0.249","0.2968","","","","","","1.053","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"1508258","6.749","0.0007","26.529","0.003","15.082","0.0016","90","","90","","90","","2700.3","0.5","293","2","293","2","","","","","","","","3","C m c a","-C 2ac 2","64","","","","- C14 H14 O6 -","- C14 H14 O6 -","- C112 H112 O48 -","8","","","Sigalov, Mark V.; Doronina, Evgeniya P.; Sidorkin, Valery F.","C(Ar)-h···o hydrogen bonds in substituted isobenzofuranone derivatives: geometric, topological, and NMR characterization.","The journal of physical chemistry. A","2012","116","29","7718","7725","10.1021/jp304009g","","","0.71073","MoKα","","0.0721","0.0547","","","0.1354","0.1491","","","","","","1.067","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1509778","10.088","","8.051","","8.078","","90","","90","","90","","656.083","","","","","","","","","","","","","3","C m c a","-C 2ac 2","64","","Ag2 Pd Cl4","","- Ag2 Cl4 Pd -","- Ag2 Cl4 Pd -","- Ag8 Cl16 Pd4 -","4","","","Keller, H.L.; Schroeder, L.","Ag2 Pd Cl4, Kristallstruktur und die kristallchemische Beziehung zum Na Cl-Typ","Zeitschrift fuer Anorganische und Allgemeine Chemie","1988","562","","123","130","10.1002/zaac.19885620115","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1509813","11.4579","","6.6275","","12.7739","","90","","90","","90","","970.015","","","","","","","","","","","","","3","C m c a","-C 2ac 2","64","","Ag2 (Hf S3)","","- Ag2 Hf S3 -","- Ag2 Hf S3 -","- Ag16 Hf8 S24 -","8","","","Sato, A.; Wada, H.; Amiel, O.","Crystal structures and ionic conductivities of new silver hafnium sulfides","Journal of Alloys Compd.","1995","219","","55","58","10.1016/0925-8388(94)05054-6","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1510520","16.65","","5.585","","5.594","","90","","90","","90","","520.187","","","","","","","","","","","","","2","C m c a","-C 2ac 2","64","","","","- Au3 Zn -","- Au3 Zn -","- Au24 Zn8 -","8","","","Iwasaki, H.","Study on the ordered phases with long period in the gold-zinc system. II.Structure analysis of Au3 Zn and Au3+ Zn","Journal of the Physical Society of Japan","1962","17","","1620","1633","10.1143/JPSJ.17.1620","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1510522","16.65","","5.585","","5.594","","90","","90","","90","","520.187","","","","","","","","","","","","","2","C m c a","-C 2ac 2","64","","","","- Au3 Zn -","- Au3 Zn -","- Au24 Zn8 -","8","","","Wilkens, M.; Schubert, K.","Ueber die Kristallstrukturen von Au3 Zn (r), Au3 Zn5 und einigen Varianten","Zeitschrift fuer Metallkunde","1958","49","","633","646","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1510647","11.326","","7.6587","","10.315","","90","","90","","90","","894.748","","","","","","","","","","","","","3","C m c a","-C 2ac 2","64","","Ba ((B Se2)2 Se2)","","- B2 Ba Se6 -","- B2 Ba Se6 -","- B8 Ba4 Se24 -","4","","","Hammerschmidt, A.; Krebs, B.; Koester, C.; Lindemann, A.; Doech, M.","2D-polymeric anion networks: the two novel perselenoborates Ba B2 Se6 and Ba2 B4 Se13","Zeitschrift fuer Anorganische und Allgemeine Chemie","2002","628","","1561","1567","10.1002/1521-3749(200207)628:7<1561::AID-ZAAC1561>3.0.CO;2-F","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1510783","13.3493","","11.8955","","10.2642","","90","","90","","90","","1629.92","","","","","","","","","","","","","5","C m c a","-C 2ac 2","64","","(Br2 B N P Cl3)2","","- B2 Br4 Cl6 N2 P2 -","- B2 Br4 Cl6 N2 P2 -","- B8 Br16 Cl24 N8 P8 -","4","","","Jansen, M.; Jaeschke, B.","Synthese, Kristallstruktur und spektroskopische Charakterisierung der Phosphaniminato-Komplexe (Cl2 B N P Cl2 N P Cl3)2 und (Br2 B N P Cl3)2","Zeitschrift fuer Anorganische und Allgemeine Chemie","2002","628","","2000","2004","10.1002/1521-3749(200209)628:9/10<2000::AID-ZAAC2000>3.0.CO;2-3","","","","","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1511044","14.243","","12.64","","11.546","","90","","90","","90","","2078.64","","","","","","","","","","","","","3","C m c a","-C 2ac 2","64","","Zr6 Cl14 B","","- B Cl14 Zr6 -","- B Cl14 Zr6 -","- B4 Cl56 Zr24 -","4","","","Ziebarth, R.P.; Corbett, J.D.","New Zirconium Chloride Cluster Phases with the Stoichiometries Zr6 Cl12 Z and Zr6 Cl14 Z are Stabilized by Interstitial Atoms (Z = H, Be, B, C)","Journal of Solid State Chemistry","1989","80","","56","67","10.1016/0022-4596(89)90031-5","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1511046","15.696","","14.156","","12.811","","90","","90","","90","","2846.51","","","","","","","","","","","","","5","C m c a","-C 2ac 2","64","","Cs ((Zr6 B) Cl2.16 I11.84)","","- B Cl2.16 Cs I11.84 Zr6 -","- B Cl2.156 Cs I11.844 Zr6 -","- B4 Cl8.624 Cs4 I47.376 Zr24 -","4","","","Koeckerling, M.","New mixed-halide, boron-centered zirconium cluster phases with different cation distributions within a cluster framework: syntheses and structures of A(I) ((Zr6 B) Clx I14-x) (A(I) = Na or Cs, 0 <= x <= 4)","Journal of Solid State Chemistry","2003","170","","273","280","10.1016/S0022-4596(02)00084-1","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1511050","15.787","","14.109","","12.505","","90","","90","","90","","2785.35","","","","","","","","","","","","","5","C m c a","-C 2ac 2","64","","Na ((Zr6 B) Cl3.87 I10.13)","","- B Cl3.87 I10.13 Na Zr6 -","- B Cl3.872 I10.128 Na Zr6 -","- B4 Cl15.488 I40.512 Na4 Zr24 -","4","","","Koeckerling, M.","New mixed-halide, boron-centered zirconium cluster phases with different cation distributions within a cluster framework: syntheses and structures of A(I) ((Zr6 B) Clx I14-x) (A(I) = Na or Cs, 0 <= x <= 4)","Journal of Solid State Chemistry","2003","170","","273","280","10.1016/S0022-4596(02)00084-1","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1511709","16.001","","11.656","","11.323","","90","","90","","90","","2111.83","","","","","","","","","","","","","3","C m c a","-C 2ac 2","64","","Ho2 Ni15 B9","","- B9 Ho2 Ni15 -","- B9 Ho2 Ni15 -","- B72 Ho16 Ni120 -","8","","","Kuz'ma, Yu.B.; Gubich, I.B.; Orishchin, S.V.; Chaban, N.F.; Glovyak, T.","A new boride Ho2 Ni15 B9 and its structure","Kristallografiya","1989","34","","1290","1291","","","","","","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512644","8.2773","0.0007","15.4031","0.0014","12.5645","0.0011","90","","90","","90","","1601.9","0.2","98","2","98","2","","","","","","","","5","C m c a","-C 2ac 2","64","","","","- C12 H12 Cu N10 O2 -","- C12 H8 Cu N10 O2 -","- C48 H32 Cu4 N40 O8 -","4","","","Kari Darling; Wayne Ouellette; Steven Pellizzeri; Tiffany Smith; Jose Vargas; Steven Tomaszfski; Charles J. O-Connor; Jon Zubieta","One- and two-dimensional coordination polymers of substituted tetrazoles with cadmium(II)","Inorganica Chimica Acta","2012","392","","417","427","10.1016/j.ica.2012.05.019","","","0.71073","MoKα","","0.0888","0.0837","","","0.2069","0.2095","","","","","","1.184","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"1512956","10.4723","0.0008","12.2097","0.0006","24.1589","0.0015","90","","90","","90","","3089","0.3","293","2","293","2","","","","","","","","6","C m c a","-C 2ac 2","64","","","","- C17 H13 N O3 S Ti -","- C17 H13 N O3 S Ti -","- C136 H104 N8 O24 S8 Ti8 -","8","","","Suryabhan Singh; Subrato Bhattacharya","Studies of titanocene and zirconocene pyridine-2,6-bis-thiocarboxylates exhibiting partial desulfurization","Inorganica Chimica Acta","2013","395","","230","236","10.1016/j.ica.2012.11.014","","","0.71073","MoKα","","0.0931","0.064","","","0.1635","0.1807","","","","","","0.854","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516419","6.844","0.006","22.211","0.019","13.877","0.01","90","","90","","90","","2109","3","293.1","","","","","","","","","","","5","C m c a","-C 2ac 2","64","","","","- C24 H12 F6 O2 S2 -","- C24 H12 F6 O2 S2 -","- C96 H48 F24 O8 S8 -","4","","","Ie, Yutaka; Nitani, Masashi; Uemura, Takafumi; Tominari, Yukihiro; Takeya, Jun; Honsho, Yoshihito; Saeki, Akinori; Seki, Shu; Aso, Yoshio","Comprehensive Evaluation of Electron Mobility for a Trifluoroacetyl-Terminated Electronegative Conjugated Oligomer","The Journal of Physical Chemistry C","2009","113","39","17189","","10.1021/jp9077322","","","0.71075","MoKα","","","0.0405","","","","0.0754","","","","","","1.31","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1516890","21.741","0.004","23.447","0.005","10.829","0.002","90","","90","","90","","5520.2","1.9","173","2","173","2","","","","","","","synthesis as described","5","C m c a","-C 2ac 2","64","8","8","","- C54 H86 O4 Si4 U2 -","- C54 H86 O4 Si4 U2 -","- C216 H344 O16 Si16 U8 -","4","","","Tsoureas, Nikolaos; Castro, Ludovic; Kilpatrick, Alexander F. R.; Cloke, F. Geoffey N.; Maron, Laurent","Controlling selectivity in the reductive activation of CO2by mixed sandwich uranium(iii) complexes","Chemical Science","2014","5","10","3777","","10.1039/C4SC01401D","","","0.71073","MoKα","","0.0672","0.0437","","","0.0835","0.0901","","","","","","1.058","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"1518346","12.2545","0.0003","11.5949","0.0003","9.7196","0.0002","90","","90","","90","","1381.06","0.06","123","1","123","1","","","","","","","see text","5","C m c a","-C 2ac 2","64","","","","- C8 H4 Cr2 O8 P2 -","- C8 H4 Cr2 O8 P2 -","- C32 H16 Cr8 O32 P8 -","4","","","Graßl, C.; Bodensteiner, M.; Zabel, M.; Scheer, M.","Synthesis of arsenic-rich Asnligand complexes from yellow arsenic","Chem. Sci.","2015","6","2","1379","","10.1039/C4SC03543G","","x-ray","1.54178","CuKα","","0.025","0.0233","","","0.0645","0.0654","","","","","","1.097","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1518347","12.4977","0.0012","12.0462","0.0014","10.1185","0.0009","90","","90","","90","","1523.3","0.3","123","1","123","1","","","","","","","see text","5","C m c a","-C 2ac 2","64","","","","- C8 H4 O8 P2 W2 -","- C8 H4 O8 P2 W2 -","- C32 H16 O32 P8 W8 -","4","","","Graßl, C.; Bodensteiner, M.; Zabel, M.; Scheer, M.","Synthesis of arsenic-rich Asnligand complexes from yellow arsenic","Chem. Sci.","2015","6","2","1379","","10.1039/C4SC03543G","","","0.71073","MoKα","","0.0275","0.0229","","","0.0541","0.0558","","","","","","1.104","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1519040","5.4766","0.0001","12.4659","0.0002","12.5282","0.0002","90","","90","","90","","855.31","0.02","","","293","","","","","","","","","3","C m c a","-C 2ac 2","64","","","","- Mn3 O10 Sr4 -","- Mn3 O10 Sr4 -","- Mn12 O40 Sr16 -","4","","","Nicolas Floros; Maryvonne Hervieu; Gustav van Tendeloo; Claude Michel; Antoine Maignan; Bernard Raveau","The layered manganate Sr4-xBaxMn3O10: synthesis, structural and magnetic properties","Solid State Sciences","1998","2","","1","9","","","x-ray","1.5418","CuKα","","","","","","","","","0.0502","","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1519041","5.5238","0.0002","12.6485","0.0005","12.5762","0.0005","90","","90","","90","","878.67","0.06","","","293","","","","","","","","","4","C m c a","-C 2ac 2","64","","","","- Ba Mn3 O10 Sr3 -","- Ba Mn3 O10 Sr3 -","- Ba4 Mn12 O40 Sr12 -","4","","","Nicolas Floros; Maryvonne Hervieu; Gustav van Tendeloo; Claude Michel; Antoine Maignan; Bernard Raveau","The layered manganate Sr4-xBaxMn3O10: synthesis, structural and magnetic properties","Solid State Sciences","1998","2","","1","9","","","x-ray","1.5418","CuKα","","","","","","","","","0.0766","","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1519042","5.5753","0.0003","12.8311","0.0006","12.6255","0.0006","90","","90","","90","","903.19","0.08","","","293","","","","","","","","","4","C m c a","-C 2ac 2","64","","","","- Ba2 Mn3 O10 Sr2 -","- Ba2 Mn3 O10 Sr2 -","- Ba8 Mn12 O40 Sr8 -","4","","","Nicolas Floros; Maryvonne Hervieu; Gustav van Tendeloo; Claude Michel; Antoine Maignan; Bernard Raveau","The layered manganate Sr4-xBaxMn3O10: synthesis, structural and magnetic properties","Solid State Sciences","1998","2","","1","9","","","x-ray","1.5418","CuKα","","","","","","","","","0.047","","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1519043","5.5988","0.0003","12.8955","0.0007","12.6433","0.0007","90","","90","","90","","912.84","0.09","","","293","","","","","","","","","4","C m c a","-C 2ac 2","64","","","","- Ba2.5 Mn3 O10 Sr1.5 -","- Ba2.5 Mn3 O10 Sr1.5 -","- Ba10 Mn12 O40 Sr6 -","4","","","Nicolas Floros; Maryvonne Hervieu; Gustav van Tendeloo; Claude Michel; Antoine Maignan; Bernard Raveau","The layered manganate Sr4-xBaxMn3O10: synthesis, structural and magnetic properties","Solid State Sciences","1998","2","","1","9","","","x-ray","1.5418","CuKα","","","","","","","","","0.0408","","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1519052","6.247","0.001","11.728","0.002","8.491","0.002","90","","90","","90","","622.1","0.2","","","153","","","","","","","","","3","C m c a","-C 2ac 2","64","","","","- Mn3 O8 V2 -","- Mn3 O8 V2 -","- Mn12 O32 V8 -","4","","","Xiandong Wang; Zhenquan Liu; Andrea Ambrosini; Antoine Maignan; Charlotte L. Stern; Kenneth R. Poeppelmeier; Vinayak P. Dravid","Crystal growth, structure, and properties of manganese orthovanadate Mn3(VO4)2","Solid State Sciences","1998","2","","99","107","","","x-ray","0.71069","MoKα","","","0.025","","","0.035","","","","","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1521027","17.09","","6.163","","6.158","","90","","90","","90","","648.595","","","","","","","","","","","","","3","C m c a","-C 2ac 2","64","","Ba2 Pd F6","","- Ba2 F6 Pd -","- Ba2 F6 Pd -","- Ba8 F24 Pd4 -","4","","","de Nadai, C.; Demourgues, A.; Gravereau, P.; Grannec, J.","Crystal structure of new palladium fluorides A2 Pd F6 and A A' Pd F6 (A(2+) = Ba(2+), Sr(2+), Pb(2+))","Journal of Solid State Chemistry","1999","148","","242","249","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1521030","16.872","","6.007","","6.014","","90","","90","","90","","609.52","","","","","","","","","","","","","4","C m c a","-C 2ac 2","64","","Ba Sr Pd F6","","- Ba F6 Pd Sr -","- Ba F6 Pd Sr -","- Ba4 F24 Pd4 Sr4 -","4","","","de Nadai, C.; Demourgues, A.; Grannec, J.; Gravereau, P.","Crystal structure of new palladium fluorides A2 Pd F6 and A A' Pd F6 (A(2+) = Ba(2+), Sr(2+), Pb(2+))","Journal of Solid State Chemistry","1999","148","","242","249","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1521652","5.35","","13.154","","5.398","","90","","90","","90","","379.878","","","","","","","","","","","","","4","C m c a","-C 2ac 2","64","","(La1.978 Sr0.022) (Cu O4)","","- Cu La1.978 O4 Sr0.022 -","- Cu La1.978 O4 Sr0.022 -","- Cu4 La7.912 O16 Sr0.088 -","4","","","Napoletano, M.; Gallardo Amores, J.M.; Ferretti, M.; Busca, G.; Magnone, E.","Skeletal infrared spectra and structural properties of La2-x Srx Cu O4 and La2-x Bax Cu O4 cuprate powders in the 0 < x < 0.125 region","Physica C (Amsterdam)","1999","319","","229","237","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1522176","5.2431","","12.7848","","5.2931","","90","","90","","90","","354.807","","","","","","","","","","","","","4","C m c a","-C 2ac 2","64","","(La Nd) Cu O4","","- Cu La Nd O4 -","- Cu La Nd O4 -","- Cu4 La4 Nd4 O16 -","4","","","Wilhelm, H.; Cros, C.; Hanfland, M.; Reny, E.; Demazeau, G.","Pressure-induced structural phase transitions in Ln2-x Ndx Cu O4 for Ln= La (0.6< x<2) and Ln= Pr (x= 0)","Journal of Solid State Chemistry","2000","151","","231","240","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1522181","5.25","","12.748","","5.319","","90","","90","","90","","355.985","","","","","","","","","","","","","3","C m c a","-C 2ac 2","64","","Pr2 Cu O4","","- Cu O4 Pr2 -","- Cu O4 Pr2 -","- Cu4 O16 Pr8 -","4","","","Wilhelm, H.; Cros, C.; Reny, E.; Demazeau, G.; Hanfland, M.","Pressure-induced structural phase transitions in Ln2-x Ndx Cu O4 for Ln= La (0.6< x<2) and Ln= Pr (x= 0)","Journal of Solid State Chemistry","2000","151","","231","240","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1522863","17.2","","6.47","","6.5","","90","","90","","90","","723.346","","","","","","","","","","","","","2","C m c a","-C 2ac 2","64","","","","- Pd Sn3 -","- Pd Sn3 -","- Pd8 Sn24 -","8","","","Schubert, K.; Bhan, S.; Lukas, H.L.; Meissner, H.G.","Zum Aufbau der Systeme Co-Ga, Pd-Ga, Pd-Sn und verwandter Legierungen","Zeitschrift fuer Metallkunde","1959","50","","534","540","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1524411","4.853","","10.35","","7.801","","90","","90","","90","","391.833","","","","","","","","","","","","","2","C m c a","-C 2ac 2","64","","","","- Co3 La2 -","- Co3 La2 -","- Co12 La8 -","4","","","Gignoux, D.; Lemaire, R.; Moreau, J.M.; Mendia-Monteroso, R.; Schweizer, J.","Antiferromagnetism in the La-Co system","Physica B and C (Netherland) (79,1975-)","1985","130","","376","378","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1525222","6.184","","14.555","","21.451","","90","","90","","90","","1930.76","","","","","","","","","","","","","3","C m c a","-C 2ac 2","64","","Cs6 Ni5 F16","","- Cs6 F6 Ni5 -","- Cs6 F6 Ni5 -","- Cs24 F24 Ni20 -","4","","","Schmidt, R.E.; Babel, D.","Cs6 Ni5 F16 - eine neue Verbindung im System Cs F/Ni F2 und ihre Kristallstruktur","Zeitschrift fuer Anorganische und Allgemeine Chemie","1984","516","","187","195","","","","","","","","","","","","","","","","","","","","","","has coordinates","146142","2020-10-21","18:00:00",""
"1525259","5.779","","3.943","","9.076","","90","","90","","90","","206.811","","","","","","","","","","","","","1","C m c a","-C 2ac 2","64","","","","- I2 -","- I2 -","- I8 -","4","","","Shimomura, O.; Takemura, K.; Fujii, Y.; Minomura, S.","Structure analysis of high pressure metallic state of iodine","Physical Review, Serie 3. B - Condensed Matter (18,1978-)","1978","18","","715","719","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1525272","5.315","","9.613","","7.169","","90","","90","","90","","366.286","","","","","","","","","","","","","3","C m c a","-C 2ac 2","64","","Co (Co.97 Ga.03)2 Gd2","","- Co2.94 Ga0.06 Gd2 -","- Co2.94 Ga0.06 Gd2 -","- Co11.76 Ga0.24 Gd8 -","4","","","Sichevich, O.M.","Ternary intermetallic compound with the La2 Ni3-type structure in the system Gd-Co-Ga","Dopovidi Akademii Nauk Ukrains'koi RSR, Seriya B: Geologichni, Khimichni ta Biologichni Nauki","1984","1984","","47","49","","","","","","","","","","","","","","","","","","","","","","has coordinates","146199","2020-10-21","18:00:00",""
"1525605","15.123","","7.75","","7.776","","90","","90","","90","","911.372","","","","","","","","","","","","","5","C m c a","-C 2ac 2","64","","Rb2 (Pd (N O2)2 Cl2)","","- Cl2 N2 O4 Pd Rb2 -","- Cl2 N2 O4 Pd Rb2 -","- Cl8 N8 O16 Pd4 Rb8 -","4","","","Baidina, I.A.; Vasil'ev, A.D.; Khranenko, S.P.; Gromilov, S.A.; Belyaev, A.V.","Synthesis and crystal structure of trans-(Rb2 (Pd (N O2)2 Cl2)). Structure refinement of Na2 (Pd (N O2)4)","Zhurnal Strukturnoi Khimii (Issue-No. from 1981)","2001","42","","145","150","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1526438","5.933","","11.385","","8.239","","90","","90","","90","","556.521","","","","","","","","","","","","","3","C m c a","-C 2ac 2","64","","Ni1.5 (V O4)","","- Ni1.5 O4 V -","- Ni1.5 O4 V -","- Ni12 O32 V8 -","8","","","Isasi, J.","New M M' O4 oxides derived from the rutile type: synthesis, structure and study of magnetic and electronic properties","Journal of Alloys Compd.","2001","322","","89","96","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1526577","6.481","","16.08","","8.763","","90","","90","","90","","913.231","","","","","","","","","","","","","3","C m c a","-C 2ac 2","64","","Sr Ni10 P6","","- Ni10 P6 Sr -","- Ni10 P6 Sr -","- Ni40 P24 Sr4 -","4","","","Keimes, V.; Hellmann, A.; Mewis, A.; Huhnt, C.; Schuette, N.","Sr Ni10 P6, Eu Ni10 P6 und Ba Co10 As6: Phasenumwandlungen und Kristallstrukturen","Zeitschrift fuer Anorganische und Allgemeine Chemie","2000","626","","1653","1659","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1526579","6.509","","16.063","","8.766","","90","","90","","90","","916.521","","","","","","","","","","","","","3","C m c a","-C 2ac 2","64","","","","- Eu Ni10 P6 -","- Eu Ni10 P6 -","- Eu4 Ni40 P24 -","4","","","Keimes, V.; Schuette, N.; Hellmann, A.; Huhnt, C.; Mewis, A.","Sr Ni10 P6, Eu Ni10 P6 und Ba Co10 As6: Phasenumwandlungen und Kristallstrukturen","Zeitschrift fuer Anorganische und Allgemeine Chemie","2000","626","","1653","1659","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1527106","6.393","","5.582","","8.963","","90","","90","","90","","319.851","","","","","","","","","","","","","2","C m c a","-C 2ac 2","64","","","","- C S2 -","- C S2 -","- C4 S8 -","4","","","Baenziger, N.C.; Duax, W.L.","Crystal structure and molecular motion of solid carbon disulfide","Journal of Chemical Physics","1968","48","","2974","2981","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1527678","10.433","","10.871","","12.588","","90","","90","","90","","1427.69","","","","","","","","","","","","","4","C m c a","-C 2ac 2","64","","(N H4)4 (P4 O12)","","- H16 N4 O12 P4 -","- H16 N4 O12 P4 -","- H64 N16 O48 P16 -","4","","","Koster, D.A.; Wagner, A.J.","Reinvestigation of the crystal structure of ammonium tetracyclo-phosphate","Journal of the Chemical Society A: Inorganic, Physical, Theoretical (1966-1971)","1970","1970","","435","441","","","","","","","","","","","","","","","","","","","","","","has coordinates","149365","2020-10-21","18:00:00",""
"1528209","15.46","","7.2","","7.2","","90","","90","","90","","801.446","","","","","","","","","","","","","4","C m c a","-C 2ac 2","64","","(N H4)2 (Cu Cl4)","","- Cl4 Cu H8 N2 -","- Cl4 Cu N2 -","- Cl16 Cu4 N8 -","4","","","Willett, R.D.","Crystal structure of (N H4)2 Cu Cl4","Journal of Chemical Physics","1964","41","","2243","2244","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1528214","15.534","","7.197","","7.187","","90","","90","","90","","803.494","","","","","","","","","","","","","3","C m c a","-C 2ac 2","64","","Rb2 Cu Cl4","","- Cl4 Cu Rb2 -","- Cl4 Cu Rb2 -","- Cl16 Cu4 Rb8 -","4","","","Witteveen, H.T.; Jongejan, D.L.; Brandwijk, V.","Preparation of compounds A2 Cu Cl4-x Brx (A= K, Rb, N H4, Tl; x= 0, 1, 2) and crystal structures of compounds Rb2 Cu Cl4-x Brx with ordered distribution of the anions","Materials Research Bulletin","1974","9","","345","352","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1528215","15.92","","7.206","","7.224","","90","","90","","90","","828.734","","","","","","","","","","","","","4","C m c a","-C 2ac 2","64","","Rb2 Cu Cl3 Br","","- Br Cl3 Cu Rb2 -","- Br Cl3 Cu Rb2 -","- Br4 Cl12 Cu4 Rb8 -","4","","","Witteveen, H.T.; Jongejan, D.L.; Brandwijk, V.","Preparation of compounds A2 Cu Cl4-x Brx (A= K, Rb, N H4, Tl; x= 0, 1, 2) and crystal structures of compounds Rb2 Cu Cl4-x Brx with ordered distribution of the anions","Materials Research Bulletin","1974","9","","345","352","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1528216","16.252","","7.242","","7.26","","90","","90","","90","","854.48","","","","","","","","","","","","","4","C m c a","-C 2ac 2","64","","Rb2 Cu Cl2 Br2","","- Br2 Cl2 Cu Rb2 -","- Br2 Cl2 Cu Rb2 -","- Br8 Cl8 Cu4 Rb8 -","4","","","Witteveen, H.T.; Jongejan, D.L.; Brandwijk, V.","Preparation of compounds A2 Cu Cl4-x Brx (A= K, Rb, N H4, Tl; x= 0, 1, 2) and crystal structures of compounds Rb2 Cu Cl4-x Brx with ordered distribution of the anions","Materials Research Bulletin","1974","9","","345","352","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1528940","19.7711","","33.8821","","29.8685","","90","","90","","90","","20008.5","","","","","","","","","","","","","3","C m c a","-C 2ac 2","64","","(C60 Cl5)2 (C60 Cl6) (Br2)0.59","","- C180 Br1.18 Cl16 -","- C180 Br1.182 Cl16 -","- C1440 Br9.456 Cl128 -","8","","","Troyanov, S.I.; Burtsev, A.V.; Kemnitz, E.","Synthesis and structure of fullerene halides in the C60-(Ti Cl4 + Br2) system: molecular structures of (C60 Cl5)2, C60 X6, C60 X8, and C60 X24 (X = Cl, Br)","Kristallografiya","2009","54","","268","275","","","","","","","","","","","","","","","","","","","","","","has coordinates","151792","2020-10-21","18:00:00",""
"1529918","5.443","","12.427","","12.5","","90","","90","","90","","845.502","","","","","","","","","","","","","4","C m c a","-C 2ac 2","64","","Sr4 Mn2 (Mn0.964 Pt.036) O10","","- Mn2.964 O10 Pt0.036 Sr4 -","- Mn2.964 O10 Pt0.036 Sr4 -","- Mn11.856 O40 Pt0.144 Sr16 -","4","","","Fabry, J.; Hybler, J.; Jirak, Z.; Maly, K.; Jurek, K.; Petricek, V.; Nevriva, M.","Preparation and the crystal structure of a new manganate, Sr4 Mn3 O10","Journal of Solid State Chemistry","1988","73","","520","523","","","","","","","","","","","","","","","","","","","","","","has coordinates","154830","2020-10-21","18:00:00",""
"1530086","23.8","","10.33","","9.325","","90","","90","","90","","2292.59","","","","","","","","","","","","","3","C m c a","-C 2ac 2","64","","Ba (Nb8 O14)","","- Ba Nb8 O14 -","- Ba Nb8.008 O14 -","- Ba8 Nb64.064 O112 -","8","","","Hibble, S.J.; Cheetham, A.K.; Koehler, J.; Simon, A.","The Characterization by Analytical Electron Microscopy and Single Crystal X-Ray Diffraction of Ba Nb8 O14, A Metal Oxide Containing Octahedral Nb6 O12 Clusters","Journal of the Less-Common Metals","1989","154","","271","283","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1530176","8.469","","19.035","","10.84","","90","","90","","90","","1747.49","","","","","","","","","","","","","4","C m c a","-C 2ac 2","64","","K2 Ni (Mo O4)2","","- K2 Mo2 Ni O8 -","- K2 Mo2 Ni O8 -","- K16 Mo16 Ni8 O64 -","8","","","Klevtsova, R.F.; Klevtsov, P.V.","Crystal structure of the double molybdate K2 Ni (Mo O4)2","Kristallografiya","1978","23","","261","265","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1530774","15.65","","11.07","","7.56","","90","","90","","90","","1309.74","","","","","","","","","","","","","3","C m c a","-C 2ac 2","64","","Cd3 (P O4)2","","- Cd3 O8 P2 -","- Cd3 O8 P2 -","- Cd24 O64 P16 -","8","","","Simonov, M.A.; Egorov-Tismenko, Yu.K.; Belov, N.V.","About the crystal structures of the ortophosphates with the formula (Na1-x Cdx) Cd2 (P O4) (P O3+x (O H)1-x)","Doklady Akademii Nauk SSSR","1978","239","","1101","1102","","","","","","","","","","","","","","","","","","","","","","has coordinates","155979","2020-10-21","18:00:00",""
"1531027","14.091","","12.595","","11.506","","90","","90","","90","","2042.04","","","","","","","","","","","","","3","C m c a","-C 2ac 2","64","","Zr6 Cl14 C","","- C Cl14 Zr6 -","- C Cl14 Zr6 -","- C4 Cl56 Zr24 -","4","","","Ziebarth, R.P.; Corbett, J.D.","New Zirconium Chloride Cluster Phases with the Stoichiometries Zr6 Cl12 Z and Zr6 Cl14 Z are Stabilized by Interstitial Atoms (Z = H, Be, B, C)","Journal of Solid State Chemistry","1989","80","","56","67","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1531136","10.741","","21.179","","6.548","","90","","90","","90","","1489.56","","","","","","","","","","","","","4","C m c a","-C 2ac 2","64","","K3 (Cr3 (As O4)4)","","- As4 Cr3 K3 O16 -","- As4 Cr3 K2.96 O16 -","- As16 Cr12 K11.84 O64 -","4","","","Bouzemi Friaa, B.; Boughzala, H.; Jouini, T.","Tripotassium trichromium(III) tetraarsenate K3 Cr3 (As O4)4: synthesis, structural study, IR spectroscopy characterization and ionic behavior","Journal of Solid State Chemistry","2003","173","","273","279","","","","","","","","","","","","","","","","","","","","","","has coordinates","156480","2020-10-21","18:00:00",""
"1531177","6.239","","14.712","","13.75","","90","","90","","90","","1262.09","","","","","","","","","","","","","3","C m c a","-C 2ac 2","64","","Cs4 Mg3 D10","","- Cs4 D10 Mg3 -","- Cs4 D10 Mg3 -","- Cs16 D40 Mg12 -","4","","","Bertheville, B.; Fischer, P.; Yvon, K.","High-pressure synthesis and crystal structures of new ternary cesium magnesium hydrides, Cs Mg H3, Cs4 Mg3 H10 and Cs2 Mg H4","Journal of Alloys Compd.","2002","330","","152","156","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1532215","5.4619","","12.6797","","5.4555","","90","","90","","90","","377.822","","","","","","","","","","","","","3","C m c a","-C 2ac 2","64","","","","- La2 Ni O3.92 -","- La2 Ni O3.92 -","- La8 Ni4 O15.68 -","4","","","Voronin, V.I.; Berger, I.F.; Cherepanov, V.A.; Petrov, A.N.; Gavrilova, L.Ya.; Ancharov, A.I.; Nikitenko, S.G.; Tolochko, B.P.","Neutron diffraction, synchrotron radiation and EXAFS spectroscopy study of crystal structure peculiarities of the lanthanum nickelates Lan+1 Nin Oy (n = 1, 2, 3)","Nuclear Instruments & Methods in Physics Research A","2001","470","","202","209","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1532218","5.413","","28.033","","5.441","","90","","90","","90","","825.632","","","","","","","","","","","","","3","C m c a","-C 2ac 2","64","","","","- La4 Ni3 O10 -","- La4 Ni3 O10 -","- La16 Ni12 O40 -","4","","","Voronin, V.I.; Berger, I.F.; Cherepanov, V.A.; Gavrilova, L.Ya.; Petrov, A.N.; Ancharov, A.I.; Tolochko, B.P.; Nikitenko, S.G.","Neutron diffraction, synchrotron radiation and EXAFS spectroscopy study of crystal structure peculiarities of the lanthanum nickelates Lan+1 Nin Oy (n = 1, 2, 3)","Nuclear Instruments & Methods in Physics Research A","2001","470","","202","209","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1532362","5.78","","13.339","","13.216","","90","","90","","90","","1018.95","","","","","","","","","","","","","3","C m c a","-C 2ac 2","64","","Ba4 (Ir3 O10)","","- Ba4 Ir3 O10 -","- Ba4 Ir3 O10 -","- Ba16 Ir12 O40 -","4","","","Stitzer, K.E.; Smith, M.D.; zur Loye, H.C.","Crystal growth, structure determination and magnetic properties of Ba4 Ir3 O10 and Ba4 (Co0.4 Ir0.6) Ir2 O10","Journal of Alloys Compd.","2002","338","","104","111","","","","","","","","","","","","","","","","","","","","","","has coordinates","158065","2020-10-21","18:00:00",""
"1532364","5.7763","","13.255","","13.11","","90","","90","","90","","1003.77","","","","","","","","","","","","","4","C m c a","-C 2ac 2","64","","Ba4 (Co0.4 Ir0.6) Ir2 O10","","- Ba4 Co0.4 Ir2.6 O10 -","- Ba4 Co0.4 Ir2.6 O10 -","- Ba16 Co1.6 Ir10.4 O40 -","4","","","Stitzer, K.E.; Smith, M.D.; zur Loye, H.C.","Crystal growth, structure determination and magnetic properties of Ba4 Ir3 O10 and Ba4 (Co0.4 Ir0.6) Ir2 O10","Journal of Alloys Compd.","2002","338","","104","111","","","","","","","","","","","","","","","","","","","","","","has coordinates","158068","2020-10-21","18:00:00",""
"1532691","15.494","","10.491","","9.7","","90","","90","","90","","1576.71","","","","","","","","","","","","","4","C m c a","-C 2ac 2","64","","(Ti2 O3 (H2 O)2) (C2 O4) (H2 O)","","- C2 H6 O10 Ti2 -","- C2 H6 O10 Ti2 -","- C16 H48 O80 Ti16 -","8","","","Boudaren, C.; Bataille, T.; Auffredic, J.P.; Louer, D.","Synthesis, structure determination from powder diffraction data and thermal behaviour of titanium(IV) oxalate (Ti2 O3 (H2 O)2) (C2 O4) * (H2 O)","Solid State Sciences","2003","5","","175","182","","","","","","","","","","","","","","","","","","","","","","has coordinates","158647","2020-10-21","18:00:00",""
"1532695","15.436","","10.421","","9.692","","90","","90","","90","","1559.04","","","","","","","","","","","","","4","C m c a","-C 2ac 2","64","","(Ti2 O3 (H2 O)2) (C2 O4)","","- C2 H4 O9 Ti2 -","- C2 O9 Ti2 -","- C16 O72 Ti16 -","8","","","Boudaren, C.; Auffredic, J.P.; Bataille, T.; Louer, D.","Synthesis, structure determination from powder diffraction data and thermal behaviour of titanium(IV) oxalate (Ti2 O3 (H2 O)2) (C2 O4) * (H2 O)","Solid State Sciences","2003","5","","175","182","","","","","","","","","","","","","","","","","","","","","","has coordinates","158651","2020-10-21","18:00:00",""
"1533721","8.242","","7.964","","20.72","","90","","90","","90","","1360.05","","","","","","","","","","","","","3","C m c a","-C 2ac 2","64","","Y2 (Ge6.66 Ga0.34)","","- Ga0.34 Ge6.66 Y2 -","- Ga0.35 Ge6.65 Y2 -","- Ga2.8 Ge53.2 Y16 -","8","","","Speka, M.V.; Zakharenko, M.I.; Markiv, V.Ya.; Belyavina, N.M.","Isothermal section of the Y - Ge - Ga system at 600 C in the region up to 37 at% Y","Journal of Alloys Compd.","2004","368","","41","46","","","","","","","","","","","","","","","","","","","","","","has coordinates","159990","2020-10-21","18:00:00",""
"1534016","14.768","","7.723","","7.741","","90","","90","","90","","882.886","","","","","","","","","","","","","3","C m c a","-C 2ac 2","64","","Tm5 Sb2 Si2","","- Sb2 Si2 Tm5 -","- Sb2 Si2 Tm5 -","- Sb8 Si8 Tm20 -","4","","","Kozlov, A.Yu.; Davydov, V.M.; Pavlyuk, V.V.","The crystal structure of the new ternary compounds RE5 Sb2 X2 (RE - Y, Tb, Dy, Ho, Er, Tm; X - Si or Ge)","Intermetallics","2004","12","","151","155","","","","","","","","","","","","","","","","","","","","","","has coordinates","160321","2020-10-21","18:00:00",""
"1534468","18.04","","17.012","","7.591","","90","","90","","90","","2329.65","","","","","","","","","","","","","4","C m c a","-C 2ac 2","64","","La Fe5 (Ge O4) (Ge2 O7) O4","","- Fe5 Ge3 La O15 -","- Fe5 Ge3 La O15 -","- Fe40 Ge24 La8 O120 -","8","","","Genkina, E.A.; Mill', B.V.; Maximov, B.A.","Crystal structure of LaFe5Ge3O15=LaFe5:GeO4: :Ge2O7:O4","Kristallografiya","1991","36","","34","38","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1534698","20.175","","11.569","","9.656","","90","","90","","90","","2253.75","","","","","","","","","","","","","3","C m c a","-C 2ac 2","64","","","","- Nb P2 S8 -","- Nb P2 S8 -","- Nb8 P16 S64 -","8","","","Grenouilleau, P.; Brec, R.; Evain, M.; Rouxel, J.","Synthesis and structure of the new layered phase P2 Nb S8","Revue de Chimie Minerale","1983","20","","628","635","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1534798","7.133","","10.274","","7.522","","90","","90","","90","","551.246","","","","","","","","","","","","","4","C m c a","-C 2ac 2","64","","Ba2 (Ni0.57 Li0.43) Ni2 N2","","- Ba2 Li0.43 N2 Ni2.57 -","- Ba2 Li0.43 N2 Ni2.57 -","- Ba8 Li1.72 N8 Ni10.28 -","4","","","Gudat, A.; Kniep, R.; Rabenau, A.","Ba2(Ni1-xLix)Ni2N2: Ein niedervalentes Nitridoniccolat mit gewellten Schichten (NiN2/2) (Ni1-xLix) - (NiN2/2)","Zeitschrift fuer Anorganische und Allgemeine Chemie","1992","607","","8","12","","","","","","","","","","","","","","","","","","","","","","has coordinates","161798","2020-10-21","18:00:00",""
"1535514","11.6322","","10.0022","","9.438","","90","","90","","90","","1098.09","","","","","","","","","","","","","4","C m c a","-C 2ac 2","64","","Ba Ti V9 O15","","- Ba O15 Ti V9 -","- Ba O15 Ti V9 -","- Ba4 O60 Ti4 V36 -","4","","","Bridges, C.A.; Greedan, J.E.; Kleinke, H.","Insights on the origin of the structural phase transition in BaV10O15 from electronic structure calculations and the effect of Ti-doping on its structure and electrical transport properties","Journal of Solid State Chemistry","2004","177","","4516","4527","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1535678","13.235","","6.067","","6.069","","90","","90","","90","","487.321","","","","","","","","","","","","","4","C m c a","-C 2ac 2","64","","(N H4)2 Cu F4","","- Cu F4 H8 N2 -","- Cu F4 N2 -","- Cu4 F16 N8 -","4","","","Troyanov, S.I.; Morozov, I.V.; Korenev, Yu.M.","Synthesis and atomic structure of ammonium fluorocuprates NH4CuF3 and (NH4)2CuF4","Zhurnal Neorganicheskoi Khimii","1993","38","","984","989","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1536192","17.051","","8.663","","12.3844","","90","","90","","90","","1829.33","","","","","","","","","","","","","5","C m c a","-C 2ac 2","64","","Cs2 (V O) (Si6 O14) (H2 O)3","","- Cs2 H6 O18 Si6 V -","- Cs2 O18 Si6 V -","- Cs8 O72 Si24 V4 -","4","","","Wang, X.-Q.; Liu, L.-M.; Jacobson, A.J.","The novel open-framework vanadium silicates K2 (V O) (Si4 O10) * (H2 O) (VSH-1) and Cs2 (V O) (Si6 O14) * 3(H2 O) (VSH-2)","Angew. Chem. Int. ed.","2001","40","","2174","2176","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1536193","17.147","","6.458","","6.488","","90","","90","","90","","718.451","","","","","","","","","","","","","2","C m c a","-C 2ac 2","64","","","","- Pd8 Sn24 -","- Pd8 Sn24 -","- Pd8 Sn24 -","1","","","Nylen, J.; Haeussermann, U.; Mosel, B.D.; Garcia-Garcia, F.J.; Poettgen, R.","Structural relationships, phase stability and bonding of compounds Pd Sn(n) (n= 2,3,4)","Solid State Sciences","2004","6","","147","155","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1536335","5.804","","11.528","","12.776","","90","","90","","90","","854.823","","","","","","","","","","","","","4","C m c a","-C 2ac 2","64","","Ba K (Fe O3)","","- Ba Fe K O3 -","- Ba Fe K O3 -","- Ba8 Fe8 K8 O24 -","8","","","Delattre, J.L.; Stacy, A.M.","Synthesis and structure of Ba K Fe O3: a new quaternary oxide with 1-D ferrate chains","Journal of Solid State Chemistry","2003","172","","261","264","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1537010","5.5","","16.24","","5.49","","90","","90","","90","","490.367","","","","","","","","","","","","","3","C m c a","-C 2ac 2","64","","","","- Bi2 Mo O6 -","- Bi2 Mo O6 -","- Bi8 Mo4 O24 -","4","","","Zemann, J.","Die Kristallstruktur von Koechlinit, Bi2 Mo O6","Beitraege zur Mineralogie und Petrographie (-11,1965)","1956","5","","139","145","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1538299","3.316","","10.52","","4.389","","90","","90","","90","","153.107","","","","","","","","","","","","","1","C m c a","-C 2ac 2","64","","","","- P -","- P -","- P8 -","8","","","Hubtgren, R.; Gingrich, N.S.; Warren, B.E.","The atomic distribution in red and black phosphorus and the crystal structure of black phosphorus","Journal of Chemical Physics","1935","3","","351","351","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1539610","6.101","","14.42","","13.668","","90","","90","","90","","1202.46","","","","","","","","","","","","","4","C m c a","-C 2ac 2","64","","Cs3 Tl Ni3 F10","","- Cs3 F10 Ni3 Tl -","- Cs3 F10 Ni3 Tl -","- Cs12 F40 Ni12 Tl4 -","4","","","Averdunk, F.; Hoppe, R.","Zur Kenntnis von Cs4 Fe3 F10 sowie Cs3 Tl Ni3 F10","Zeitschrift fuer Anorganische und Allgemeine Chemie","1988","562","","115","122","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1539612","6.298","","14.613","","14.114","","90","","90","","90","","1298.95","","","","","","","","","","","","","3","C m c a","-C 2ac 2","64","","Cs4 Fe3 F10","","- Cs4 F10 Fe3 -","- Cs4 F10 Fe3 -","- Cs16 F40 Fe12 -","4","","","Averdunk, F.; Hoppe, R.","Zur Kenntnis von Cs4 Fe3 F10 sowie Cs3 Tl Ni3 F10","Zeitschrift fuer Anorganische und Allgemeine Chemie","1988","562","","115","122","","","","","","","","","","","","","","","","","","","","","","has coordinates","168571","2020-10-21","18:00:00",""
"2000479","6.628","0.004","21.495","0.006","23.526","0.006","90","","90","","90","","3352","2","","","","","","","","","","","","6","C m c a","","","","","","- C16 H12 F6 O2 P S2 -","- C16 H12 F12 O2 P S2 -","- C128 H96 F96 O16 P8 S16 -","8","","AB0275","Thorup, N.; Frederiksen, P.; Bechgaard, K.","Structure of the cation radical salt 3,8-dimethoxy-1,6-dithiapyrenium hexafluorophosphate","Acta Crystallographica Section C","1992","48","11","2049","2051","10.1107/S0108270192002683","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2002121","12.0083","0.0031","10.7399","0.003","9.7504","0.0057","90","","90","","90","","1257.5","","","","","","","","","","","","","4","C m c a","-C 2ac 2","64","","Barium nickel scandium oxide (1/2/8/15)","","- Ba Ni2 O15 Sc8 -","- Ba Ni2 O15 Sc8 -","- Ba4 Ni8 O60 Sc32 -","4","","","Schiffler, S; Muller-Buschbaum, H","Zur Kenntnis der metastabilen Verbindung Ba Ni2 Sc8 O15","Journal of the Less-Common Metals","1986","124","","229","234","10.1016/0022-5088(86)90495-9","","","","","","0.068","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"2002125","12.146","0.002","10.88","0.002","9.834","0.005","90","","90","","90","","1299.5","","","","","","","","","","","","","5","C m c a","-C 2ac 2","64","","Barium dinickel tetraindium tetrascandium oxide","","- Ba In4 Ni2 O15 Sc4 -","- Ba In4.002 Ni2 O15 Sc3.998 -","- Ba4 In16.008 Ni8 O60 Sc15.992 -","4","","","Mueller-Buschbaum, Hk; Rueter, I","Ba Ni2 In4 Sc4 O15 mit Ba V10 O15 - Struktur, aber mit geordneter Metallverteilung","Zeitschrift fuer Anorganische und Allgemeine Chemie","1989","572","","109","114","10.1002/zaac.19895720113","","","","","","0.099","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"2002362","12.2811","0.0046","11.0214","0.0019","9.9103","0.0021","90","","90","","90","","1341.4","","","","","","","","","","","","","4","C m c a","-C 2ac 2","64","","Barium nickel indium oxide (1/2/8/15)","","- Ba In8 Ni2 O15 -","- Ba In8 Ni2 O15 -","- Ba4 In32 Ni8 O60 -","4","","","Schiffler, St; Mueller-Buschbaum, Hk","Eine neue metastabile Verbindung mit eigenem Strukturtyp: Ba Ni2 In8 O15","Zeitschrift fuer Anorganische und Allgemeine Chemie","1986","542","","25","30","10.1002/zaac.19865421105","","","","","","0.088","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"2002473","5.778","0.005","13.352","0.007","13.084","0.005","90","","90","","90","","1009.4","","","","","","","","","","","","","4","C m c a","-C 2ac 2","64","","Tetrabarium iridium(V) aluminium iridium(IV) oxide","","- Al Ba4 Ir2 O10 -","- Al Ba4 Ir2 O10 -","- Al4 Ba16 Ir8 O40 -","4","","","Neubacher, M; Mueller-Buschbaum, Hk","Einbau von Al3+ in Ir3 O12-Oktaedertripel in Ba4 Ir2 Al O10","Zeitschrift fuer Anorganische und Allgemeine Chemie","1991","594","","133","138","10.1002/zaac.19915940116","","","","","","0.065","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"2002627","10.0183","0.0032","11.5747","0.0049","14.094","0.008","90","","90","","90","","1634.3","","","","","","","","","","","","","3","C m c a","-C 2ac 2","64","","Dibarium titanium dodecatitanium(III) oxide","","- Ba2 O22 Ti13 -","- Ba2 O22 Ti13 -","- Ba8 O88 Ti52 -","4","","","Moehr, S; Mueller-Buschbaum, Hk","Ein Beitrag zur Synthese und Kristallstruktur eines gemischtvalenten Bariumoxotitanats: Ba2 (Ti3+)12 (Ti4+) O22","Journal of Alloys Compd.","1993","199","","203","206","10.1016/0925-8388(93)90451-R","","","","","","0.079","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"2002713","5.932","0.002","11.324","0.003","8.197","0.002","90","","90","","90","","550.6","","","","","","","","","","","","","4","C m c a","-C 2ac 2","64","","Trinickel arsenic(V) vanadium oxide","","- As Ni3 O8 V -","- As Ni3 O8 V -","- As4 Ni12 O32 V4 -","4","","","Osterloh, D; Mueller-Buschbaum, Hk","Ein Beitrag ueber die Kristallchemie von Ni3 As V O8 und Co3 As V O8","Journal of Alloys Compd.","1994","206","","255","258","10.1016/0925-8388(94)90045-0","","","","","","0.049","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"2002714","6.021","0.004","11.456","0.003","8.266","0.002","90","","90","","90","","570.2","","","","","","","","","","","","","4","C m c a","-C 2ac 2","64","","Tricobalt arsenic(V) vanadium oxide","","- As Co3 O8 V -","- As Co3 O8 V -","- As4 Co12 O32 V4 -","4","","","Osterloh, D; Mueller-Buschbaum, Hk","Ein Beitrag ueber die Kristallchemie von Ni3 As V O8 und Co3 As V O8","Journal of Alloys Compd.","1994","206","","255","258","10.1016/0925-8388(94)90045-0","","","","","","0.049","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"2002824","6.02","0.001","23.76299","0.005","8.481","0.002","90","","90","","90","","1213.2","","","","","","","","","","","","","4","C m c a","-C 2ac 2","64","","Hexacobalt dioxide bis(cobaltoarsenato(V))tetraoxotellurate","","- As2 Co8 O16 Te -","- As2 Co8 O16 Te -","- As8 Co32 O64 Te4 -","4","","","Staack, M; Mueller-Buschbaum, Hk","Dicobaltarsenat - (Co As O7) - Baugruppen im CobaltoxidTellurat Co6 O2 (Te O4 (Co As O5)2)","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-)","1997","52","","643","646","","","","","","","0.0618","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"2005493","12.165","0.003","13.296","0.009","15.175","0.008","90","","90","0.001","90","0.001","2454.7","2.1","293","2","","","","","","","","","","7","C m c a","-C 2ac 2","64","","","","- C8 H6 Ag F6 N2 O P -","- C8 H6 Ag F6 N2 O P -","- C64 H48 Ag8 F48 N16 O8 P8 -","8","","","","A New Europium Borosilicate, Eu~3~BSi~2~O~10~ Silver(I) Complexes of 1,4-Dicyanobenzene","Acta Crystallographica C","1996","52","","2385","2387","","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2006076","7.17","0.001","30.766","0.001","16.91","0.001","90","","90","","90","","3730.2","0.6","293","2","293","2","","","","","","","","3","C m c a","-C 2ac 2","64","isotretinoin","13-cis-retinoic acid","","- C20 H28 O2 -","- C20 H27.8 O2 -","- C160 H222.4 O16 -","8","","NA1267","Malpezzi, L.; Fuganti, C.; Grasselli, P.","Disorder in 13-<i>cis</i>-Retinoic Acid","Acta Crystallographica Section C","1997","53","4","508","511","10.1107/S0108270196014588","","","1.54178","CuKα","","0.0555","0.0449","","0.133","0.1216","","","","1.043","1.072","1.072","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2006428","29.608","0.002","23.6935","0.0009","11.8195","0.0005","90","","90","","90","","8291.6","0.7","298","2","298","2","","","","","","","","5","C m c a","-C 2ac 2","64","","Tetramethylammonium Bis(coumarin-3-carboxylato)triphenylstannate Ethanol Solvate","","- C44 H43 N O9 Sn -","- C44 H44 N O9 Sn -","- C352 H352 N8 O72 Sn8 -","8","","SK1052","Ng, Seik Weng; Kumar Das, V.G.","Tetramethylammonium Bis(coumarin-3-carboxylato)triphenylstannate Ethanol Solvate","Acta Crystallographica Section C","1997","53","8","1034","1036","10.1107/S0108270197004307","","","0.71073","MoKα","","0.0625","0.0355","","0.0991","0.089","","","","0.997","1.125","1.125","","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"2006461","14.067","0.001","8.163","0.002","8.161","0.002","90","","90","","90","","937.1","0.3","293","","","","","","","","","","","3","C m c a","-C 2ac 2","64","","","","- Cs F5 Tb -","- Cs F5 Tb -","- Cs8 F40 Tb8 -","8","","BR1167","Gaumet, Vincent; Avignant, Daniel","Caesium Pentafluoroterbate, CsTbF~5~","Acta Crystallographica Section C","1997","53","9","1176","1178","10.1107/S0108270197005556","","","0.71073","MoKα","","","0.026","","","0.028","","","","","1.339","1.339","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2006462","7.848","0.002","19.867","0.004","10.773","0.003","90","","90","","90","","1679.7","0.7","293","2","293","2","","","","","","","","5","C m c a","-C 2ac 2","64","hydrated strontium iron (III) fluoride","","","- F10 Fe2 H2 O Sr2 -","- F10 Fe2 H2 O Sr2 -","- F80 Fe16 H16 O8 Sr16 -","8","0.5","","Jean-Marc Le Meins; Annie Hemon-Ribaud; Georges Courbion","Sr~2~Fe~2~F~10~.H~2~O, the First Hydrated Strontium Iron(III) Fluoride","Acta Crystallographica Section C","1997","53","","1165","1166","","","","","","","","0.0321","","","0.0683","","","","","","","","","","","has coordinates","191889","2020-10-21","18:00:00",""
"2006685","12.381","0.01","9.185","0.005","9.221","0.005","90","","90","","90","","1048.6","1.2","293","","","","","","","","","","","2","C m c a","-C 2ac 2","64","","","","- Ni10 Zr7 -","- Ni10 Zr7 -","- Ni40 Zr28 -","4","","JZ1204","Joubert, Jean-Marc; Černý, R.; Yvon, K.; Latroche, M.; Percheron-Guégan, A.","Zirconium‒Nickel, Zr~7~Ni~10~: Space Group Revision for the Stoichiometric Phase","Acta Crystallographica Section C","1997","53","11","1536","1538","10.1107/S0108270197007142","","","0.71073","MoKα","","","0.0605","","","","0.0376","","","","","","1.2892","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2007401","16.886","0.003","12.481","0.002","11.521","0.002","90","","90","","90","","2428.1","0.7","293","2","293","2","","","","","","","","5","C m c a","-C 2ac 2","64","","bis-(μ-(3,4-dimethylphospholyl))-octacarbonyl-dimanganese","","- C20 H16 Mn2 O8 P2 -","- C20 H16 Mn2 O8 P2 -","- C80 H64 Mn8 O32 P8 -","4","","AB1530","Flörke, Ulrich; Krampe, Olaf; Haupt, Hans-Jürgen","Bis(μ-3,4-dimethylphosphol-1-yl)bis(tetracarbonylmanganese)","Acta Crystallographica Section C","1998","54","7","918","920","10.1107/S0108270198001036","","","0.71073","MoKα","","0.0543","0.0345","","0.0932","","0.0745","","","1.063","","","1.017","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2007757","17.186","0.003","18.936","0.004","17.406","0.004","90","","90","","90","","5665","2","298","","298","","","","","","","","","6","C m c a","-C 2ac 2","64","","Ethanaminium, N,N,N-triethyl-, tetra-.mu.-carbonyleicosacarbonyldithalla- hexaferrate (2-) (2Fe-Fe) (8Fe-Tl) (2:1)","","- C40 H40 Fe6 N2 O24 Tl2 -","- C40 H40 Fe6 N2 O24 Tl2 -","- C160 H160 Fe24 N8 O96 Tl8 -","4","","QA0054","Guzman-Jimenez, Ilse Y.; Whitmire, Kenton H.","Bis(tetraethylammonium) tetra-μ-carbonyl-icosacarbonylhexairondithallate(2 <i>Fe</i>—<i>Fe</i>)(8 <i>Fe</i>—<i>Tl</i>)(2‒)","Acta Crystallographica Section C","1998","54","10","IUC9800053","","10.1107/S0108270198099326","","","0.71073","MoKα","","0.1755","0.0492","","0.169","0.1163","","","","1.054","1.099","1.099","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2008631","7.3215","0.0001","17.3709","0.0002","13.3435","0.0002","90","","90","","90","","1697.04","0.04","173","","173","","","","","","","","","5","C m c a","-C 2ac 2","64","","","","- C14 H18 Cl4 N2 Ti -","- C14 H18 Cl4 N2 Ti -","- C56 H72 Cl16 N8 Ti4 -","4","","SK1252","Hensen, Karl; Lemke, Alexander; Bolte, Michael","Addition compounds of titanium tetrachloride with aromatic nitrogen bases","Acta Crystallographica Section C","1999","55","6","863","867","10.1107/S0108270199000554","","","0.71073","MoKα","","0.0351","0.029","","0.068","0.0651","0.068","","","1.108","","","1.108","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008660","17.749","0.003","9.021","0.003","9.059","0.002","90","","90","","90","","1450.5","0.6","293","2","293","2","","","","","","","","2","C m c a","-C 2ac 2","64","","pentabarium tetraantimonide","","- Ba5 Sb4 -","- Ba5 Sb4 -","- Ba20 Sb16 -","4","","BR1235","Derrien, Gaelle; Monconduit, Laure; Tillard, Monique; Belin, Claude","Pentabarium tetraantimonide, β-Ba~5~Sb~4~: a more symmetrical arrangement for the Ba~5~Sb~4~ compound","Acta Crystallographica Section C","1999","55","7","1044","1046","10.1107/S0108270199003984","","","0.71069","MoKα","","0.111","0.043","","","","0.102","","","","","","0.926","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2011554","7.477","0.001","17.942","0.005","13.194","0.003","90","","90","","90","","1770","0.7","173","2","173","2","","","","","","","","5","C m c a","-C 2ac 2","64","","","","- C14 H18 Br4 Ge N2 -","- C14 H18 Br4 Ge N2 -","- C56 H72 Br16 Ge4 N8 -","4","","QA0420","Bolte, Michael; Hensen, Karl; Faber, Alexander","Complexes of germanium bromides with 4-picoline and 3,4-lutidine","Acta Crystallographica Section C","2000","56","11","e499","e500","10.1107/S0108270100014153","","","0.71073","MoKα","","0.055","0.036","","","","0.077","","","","","","1.07","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012595","6.774","0.002","15.875","0.003","13.477","0.003","90","","90","0.03","90","","1449.3","0.6","150","2","150","2","","","","","","","","4","C m c a","-C 2ac 2","64","Magnet-4","Dispiro[2H-benzimidazole-2,1'-cyclohexane-4',2''- [2H]benzimidazole],1,-oxide","","- C18 H16 N4 O -","- C18 H16 N4 O -","- C72 H64 N16 O4 -","4","","OA1128","Kaftory, Menahem; Shteiman, Vitaly; Botoshansky, Mark","Dispiro[2<i>H</i>-benzimidazole-2,1'-cyclohexane-4',2''-[2<i>H</i>]benzimidazole] 1-oxide and dispiro[2<i>H</i>-benzimidazole-2,1'-cyclohexane-4',2''-[2<i>H</i>]benzimidazole] 1,1''-dioxide","Acta Crystallographica Section C","2002","58","3","o183","o186","10.1107/S0108270102001099","","","0.71069","MoKα","","0.0648","0.0425","","","0.112","0.1191","","","","","","1.015","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012616","15.1714","0.0009","9.019","0.0005","17.2111","0.001","90","","90","","90","","2355","0.2","100","2","100","2","","","","","","","","4","C m c a","-C 2ac 2","64","cis-Dioxocyclam","1,4,8,11-Tetraazacyclotetradecane-5,7-dione","","- C10 H20 N4 O2 -","- C10 H20 N4 O2 -","- C80 H160 N32 O16 -","8","","BK1641","Mashuta, Mark S.; Pimenov, Konstantin V.; Grapperhaus, Craig A.","<i>cis</i>-Dioxocyclam","Acta Crystallographica Section C","2002","58","4","o226","o227","10.1107/S0108270102003165","","","0.71073","MoKα","","0.036","0.034","","","0.087","0.088","","","","","","1.08","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2012956","18.0456","0.0004","11.4295","0.0006","15.7039","0.0005","90","","90","","90","","3239","0.2","250","1","250","1","","","","","","","","4","C m c a","-C 2ac 2","64","","Bis[bis(trichlorophosphino)iminium] di-μ-chloro-bis[tetrachlorozirconium(IV)]","","- Cl22 N2 P4 Zr2 -","- Cl22 N2 P4 Zr2 -","- Cl88 N8 P16 Zr8 -","4","","SK1570","Rivard, Eric; McWilliams, Andrew R.; Lough, Alan J.; Manners, Ian","Bis(trichlorophosphine)iminium salts, [Cl~3~P=N=PCl~3~]^+^, with transition metal halide counter-ions","Acta Crystallographica Section C","2002","58","9","i114","i118","10.1107/S0108270102012532","","","0.71073","MoKα","","0.0419","0.0299","","","0.0703","0.0739","","","","","","1.063","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2013671","25.732","0.0006","18.3516","0.0004","17.5412","0.0004","90","","90","","90","","8283.4","0.3","120","2","120","2","","","","","","","","7","C m c a","-C 2ac 2","64","","Bis(acetonitrile-κN)[(1RS,4RS,8SR,11SR)-1,4,8,11-tetraazatetradecane- κ^4^N]copper(II) bis{tetrakis[3,5-bis(trifluoromethyl)phenyl]borate} 0.31-hydrate","","- C78 H54 B2 Cu F48 N6 O0.31 -","- C78 H54 B2 Cu F48 N6 O0.32 -","- C312 H216 B8 Cu4 F192 N24 O1.28 -","4","","SK1648","Janet M. S. Skakle; Marcus V. D. Rangel e Silva; James L. Wardell; Solange M. S. V. Wardell","Bis(acetonitrile-κ<i>N</i>)[(1<i>RS</i>,4<i>RS</i>,8<i>SR</i>,11<i>SR</i>)-1,4,8,11-tetraazatetradecane-κ^4^<i>N</i>]copper(II) bis{tetrakis[3,5-bis(trifluoromethyl)phenyl]borate} 0.31-hydrate","Acta Crystallographica Section C","2003","59","10","m413","m415","10.1107/S0108270103016743","","","0.71073","MoKα","","0.0752","0.0489","","","0.125","0.1389","","","","","","1.016","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2016036","31.0164","0.0003","8.5897","0.0011","15.1952","0.0006","90","","90","","90","","4048.3","0.5","110","2","110","2","","","","","","","","4","C m c a","-C 2ac 2","64","porphyrin-5^4^,10^4^,15^4^,20^4^-tetrabenzoic acid","meso-5,10,15,20-tetrakis(4-carboxyphenyl)porphyrin","","- C48 H30 N4 O8 -","- C48 H30 N4 O8 -","- C192 H120 N16 O32 -","4","","GD3109","Sophia Lipstman; Sankar Muniappan; Israel Goldberg","Interwoven hydrogen-bonded network assembly and supramolecular isomerism of <i>meso</i>-5,10,15,20-tetrakis(4-carboxyphenyl)porphyrin as its dimethylformamide solvate","Acta Crystallographica Section C","2007","63","7","o371","o373","10.1107/S0108270107020975","","","0.71073","MoKα","","0.0745","0.0586","","","0.1322","0.1383","","","","","","1.128","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2016340","16.087","0.003","5.2965","0.001","23.022","0.004","90","","90","","90","","1961.6","0.6","293","2","293","2","","","","","","","","3","C m c a","-C 2ac 2","64","Bi5 O7 Br","pentabismuth heptoxide bromide","","- Bi5 Br O7 -","- Bi5 Br O7 -","- Bi40 Br8 O56 -","8","","IZ3029","Keller, E.; Krämer, V.","Bi~5~O~7~Br and its structural relation to α-Bi~5~O~7~I","Acta Crystallographica Section C","2007","63","12","i109","i111","10.1107/S0108270107049025","","","0.71073","MoKα","","0.0884","0.0484","","","0.0858","0.0944","","","","","","1.075","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016379","31.0347","0.0006","15.9441","0.0011","18.3824","0.0007","90","","90","","90","","9096","0.7","110","2","110","2","","","","","","","","5","C m c a","-C 2ac 2","64","","[5,10,15,20-tetrakis(4-carboxyphenyl)porphyrinato]palladium(II) methanol solvate","","- C49 H32 N4 O9 Pd -","- C49 H32 N4 O9 Pd -","- C392 H256 N32 O72 Pd8 -","8","","GD3172","Sophia Lipstman; Israel Goldberg","Supramolecular hydrogen bonding of [5,10,15,20-tetrakis(4-carboxyphenyl)porphyrinato]palladium(II) in the presence of competing solvents","Acta Crystallographica Section C","2008","64","1","m53","m57","10.1107/S0108270107063524","","","0.71073","MoKα","","0.1191","0.0699","","","0.1449","0.1604","","","","","","0.999","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2016542","6.9841","0.0002","13.0977","0.0004","28.3695","0.0008","90","","90","","90","","2595.12","0.13","100","2","100","2","","","","","","","","5","C m c a","-C 2ac 2","64","","2,6-dimethoxy-7,9-dimethylpurinium iodide hemihydrate","","- C9 H14 I N4 O2.5 -","- C9 H14 I N4 O2.5 -","- C72 H112 I8 N32 O20 -","8","","GD3189","Kowalska, Alicja; Pluta, Krystian; Suwińska, Kinga","2,6-Dimethoxy-7,9-dimethylpurinium iodide hemihydrate","Acta Crystallographica Section C","2008","64","4","o211","o213","10.1107/S0108270108005957","","","0.71073","MoKα","","0.047","0.041","","","0.08","0.082","","","","","","1.19","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2016598","8.5964","0.0002","23.6415","0.0006","7.5383","0.0002","90","","90","","90","","1532.02","0.07","298","2","298","2","","","","","","","","3","C m c a","-C 2ac 2","64","","didysprosium heptanickel tritin","","- Dy2 Ni7 Sn3 -","- Dy2 Ni7 Sn3 -","- Dy16 Ni56 Sn24 -","8","","IZ3047","Romaka, V.; Gladyshevskii, R.; Marciniak, B.; Pavlyuk, V.","Dy~2~Ni~7~Sn~3~: a new member of the CaCu~5~ family of intermetallics","Acta Crystallographica Section C","2008","64","5","i45","i46","10.1107/S0108270108009657","","","0.71073","MoKα","","0.0408","0.0281","","","0.0584","0.0666","","","","","","1.24","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2016831","14.9569","0.0008","22.5625","0.0011","12.1697","0.0007","90","","90","","90","","4106.8","0.4","293","2","293","2","","","","","","","","7","C m c a","-C 2ac 2","64","","<i>catena</i>-Poly[μ-4,4'-bipyridine-κ^2^<i>N</i>:<i>N</i>'-tetraaquacobalt(II)] hydrogen 3-phosphonatobenzenesulfonate]","","- C16 H21 Co N2 O10 P S -","- C16 H21 Co N2 O10 P S -","- C128 H168 Co8 N16 O80 P8 S8 -","8","","GA3106","Du, Zi-Yi; Liu, Qing-Yan; Wen, He-Rui; Xie, Yong-Rong; Huang, Jian-Jun","Hydrogen-bonded layers directed by the [3-O~3~S‒C~6~H~4~‒PO~3~H]^2{-^} dianion: <i>catena</i>-poly[[silver(I)-μ-4,4'-bipyridine-κ^2^<i>N</i>:<i>N</i>'] 3-[hydroxy(oxido)phosphinoyl]benzenesulfonate trihydrate] and <i>catena</i>-poly[[[tetraaquacobalt(II)]-μ-4,4'-bipyridine-κ^2^<i>N</i>:<i>N</i>'] 3-[hydroxy(oxido)phosphinoyl]benzenesulfonate]","Acta Crystallographica Section C","2008","64","11","m353","m357","10.1107/S0108270108028072","","","0.71073","MoKα","","0.0427","0.0398","","","0.0902","0.0922","","","","","","1.058","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2017581","13.5073","0.0008","8.8803","0.0005","35.482","0.002","90","","90","","90","","4256","0.4","295","2","295","2","","","","","","","","6","C m c a","-C 2ac 2","64","","pentabarium tetrachloride octahydrate octakis(oxovanadium phosphate)","","- Ba5 Cl4 H16 O48 P8 V8 -","- Ba5 Cl4 H16 O48 P8 V8 -","- Ba20 Cl16 H64 O192 P32 V32 -","4","","SQ3227","Zhang, Ai-Yun; Zheng, Juan; Wang, Qiu-Fen","Ba~5~Cl~4~(H~2~O)~8~(VPO~5~)~8~: a novel three-dimensional framework solid","Acta Crystallographica Section C","2010","66","3","i22","i24","10.1107/S0108270110001393","","","0.71073","MoKα","","0.0425","0.0308","","","0.0723","0.0781","","","","","","1.043","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2018666","9.7274","0.0019","13.259","0.003","19.982","0.004","90","","90","","90","","2577.2","0.9","293","2","293","2","","","","","","","","5","C m c a","-C 2ac 2","64","","4,6-Diaminopyrimidine-2(1<i>H</i>)-thione hemihydrate","","- C4 H7 N4 O0.5 S -","- C4 H7 N4 O0.5 S -","- C64 H112 N64 O8 S16 -","16","","SK3446","Zhang, Zhenfeng; Xian, Dong; Glidewell, Christopher","4,6-Diaminopyrimidine-2(1<i>H</i>)-thione hemihydrate: a three-dimensional hydrogen-bonded framework","Acta Crystallographica Section C","2012","68","10","o377","o380","10.1107/S0108270112036359","","","0.71073","MoKα","","0.088","0.0458","","","0.0915","0.105","","","","","","0.957","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2019275","8.5256","0.0007","15.698","0.0017","9.8671","0.0012","90","","90","","90","","1320.6","0.2","200","","200","","","","","","","","","4","C m c a","-C 2ac 2","64","magnesium iodide octahydrate","Magnesium diiodide octahydrate","","- H16 I2 Mg O8 -","- H16 I2 Mg O8 -","- H64 I8 Mg4 O32 -","4","","QS3030","Hennings, Erik; Schmidt, Horst; Voigt, Wolfgang","Crystal structures of hydrates of simple inorganic salts. I. Water-rich magnesium halide hydrates MgCl~2~·8H~2~O, MgCl~2~·12H~2~O, MgBr~2~·6H~2~O, MgBr~2~·9H~2~O, MgI~2~·8H~2~O and MgI~2~·9H~2~O","Acta Crystallographica Section C","2013","69","11","1292","1300","10.1107/S0108270113028138","","","0.71073","MoKα","","0.0257","0.0224","","","0.052","0.0531","","","","","","1.022","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2100410","26.789","0.004","7.17","0.001","14.211","0.002","90","","90","","90","","2729.6","0.7","100","1","100","1","","","","","","","","2","C m c a","-C 2ac 2","64","","","","- C42 H28 -","- C42 H28 -","- C168 H112 -","4","","BK5027","Jurchescu, Oana D.; Meetsma, Auke; Palstra, Thomas T.M.","Low-temperature structure of rubrene single crystals grown by vapor transport","Acta Crystallographica Section B","2006","62","2","330","334","10.1107/S0108768106003053","","","0.71073","MoKα","","0.0463","0.0372","","","0.0941","0.0994","","","","","","1.062","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2100411","26.789","0.004","7.173","0.001","14.246","0.002","90","","90","","90","","2737.5","0.7","125","1","125","1","","","","","","","","2","C m c a","-C 2ac 2","64","","","","- C42 H28 -","- C42 H28 -","- C168 H112 -","4","","BK5027","Jurchescu, Oana D.; Meetsma, Auke; Palstra, Thomas T.M.","Low-temperature structure of rubrene single crystals grown by vapor transport","Acta Crystallographica Section B","2006","62","2","330","334","10.1107/S0108768106003053","","","0.71073","MoKα","","0.0556","0.0377","","","0.0921","0.1012","","","","","","1.051","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2100412","26.775","0.004","7.168","0.001","14.258","0.002","90","","90","","90","","2736.4","0.7","150","1","150","1","","","","","","","","2","C m c a","-C 2ac 2","64","","","","- C42 H28 -","- C42 H28 -","- C168 H112 -","4","","BK5027","Jurchescu, Oana D.; Meetsma, Auke; Palstra, Thomas T.M.","Low-temperature structure of rubrene single crystals grown by vapor transport","Acta Crystallographica Section B","2006","62","2","330","334","10.1107/S0108768106003053","","","0.71073","MoKα","","0.0576","0.0387","","","0.0949","0.1048","","","","","","1.038","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2100413","26.828","0.004","7.181","0.001","14.306","0.002","90","","90","","90","","2756.1","0.7","175","1","175","1","","","","","","","","2","C m c a","-C 2ac 2","64","","","","- C42 H28 -","- C42 H28 -","- C168 H112 -","4","","BK5027","Jurchescu, Oana D.; Meetsma, Auke; Palstra, Thomas T.M.","Low-temperature structure of rubrene single crystals grown by vapor transport","Acta Crystallographica Section B","2006","62","2","330","334","10.1107/S0108768106003053","","","0.71073","MoKα","","0.058","0.0388","","","0.091","0.1002","","","","","","1.057","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2100414","26.838","0.004","7.181","0.001","14.332","0.002","90","","90","","90","","2762.1","0.7","200","1","200","1","","","","","","","","2","C m c a","-C 2ac 2","64","","","","- C42 H28 -","- C42 H28 -","- C168 H112 -","4","","BK5027","Jurchescu, Oana D.; Meetsma, Auke; Palstra, Thomas T.M.","Low-temperature structure of rubrene single crystals grown by vapor transport","Acta Crystallographica Section B","2006","62","2","330","334","10.1107/S0108768106003053","","","0.71073","MoKα","","0.0628","0.0407","","","0.1001","0.1127","","","","","","1.028","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2100415","26.818","0.005","7.174","0.001","14.348","0.003","90","","90","","90","","2760.4","0.9","235","1","235","1","","","","","","","","2","C m c a","-C 2ac 2","64","","","","- C42 H28 -","- C42 H28 -","- C168 H112 -","4","","BK5027","Jurchescu, Oana D.; Meetsma, Auke; Palstra, Thomas T.M.","Low-temperature structure of rubrene single crystals grown by vapor transport","Acta Crystallographica Section B","2006","62","2","330","334","10.1107/S0108768106003053","","","0.71073","MoKα","","0.0708","0.0405","","","0.0931","0.1092","","","","","","1.034","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2100416","26.938","0.005","7.211","0.001","14.461","0.003","90","","90","","90","","2809","0.9","275","1","275","1","","","","","","","","2","C m c a","-C 2ac 2","64","","","","- C42 H28 -","- C42 H28 -","- C168 H112 -","4","","BK5027","Jurchescu, Oana D.; Meetsma, Auke; Palstra, Thomas T.M.","Low-temperature structure of rubrene single crystals grown by vapor transport","Acta Crystallographica Section B","2006","62","2","330","334","10.1107/S0108768106003053","","","0.71073","MoKα","","0.0675","0.0419","","","0.1097","0.1248","","","","","","1.05","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2100417","26.86","0.01","7.193","0.003","14.433","0.005","90","","90","","90","","2788.5","1.8","293","1","293","1","","","","","","","","2","C m c a","-C 2ac 2","64","","","","- C42 H28 -","- C42 H28 -","- C168 H112 -","4","","BK5027","Jurchescu, Oana D.; Meetsma, Auke; Palstra, Thomas T.M.","Low-temperature structure of rubrene single crystals grown by vapor transport","Acta Crystallographica Section B","2006","62","2","330","334","10.1107/S0108768106003053","","","0.71073","MoKα","","0.0758","0.044","","","0.1091","0.1227","","","","","","1.026","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2102516","6.707","0.001","17.023","0.004","22.938","0.002","90","","90","","90","","2618.9","0.8","0","","","","","","","","","","","5","C m c a","-C 2ac 2","64","","4-(2-Chloro-4,5-dimethoxybenzylidene)-2-methyl-5-oxazolone","","- C13 H12 Cl N O4 -","- C13 H12 Cl N O4 -","- C104 H96 Cl8 N8 O32 -","8","","BS0022","Prof. Clemente Dore Augusto; Prof. Marzotto Armando","30 Space-group corrections: two examples of false polymorphism and one of incorrect interpretation of the fine details of an IR spectrum","Acta Crystallographica Section B","2004","60","3","287","292","10.1107/S0108768104006391","","","0.71073","MoK\α","","","","","","","","","","","","","","","","","has coordinates","201972","2020-10-21","18:00:00",""
"2102532","16.409","0.003","10.506","0.004","7.825","0.003","90","","90","","90","","1349","0.8","0","","","","","","","","","","","4","C m c a","-C 2ac 2","64","","bis(eta$6!-Benzene)-chromium hydroxide trihydrate","","- C12 H19 Cr O4 -","- C12 H12 Cr O4 -","- C48 H48 Cr4 O16 -","4","","BS0022","Prof. Clemente Dore Augusto; Prof. Marzotto Armando","30 Space-group corrections: two examples of false polymorphism and one of incorrect interpretation of the fine details of an IR spectrum","Acta Crystallographica Section B","2004","60","3","287","292","10.1107/S0108768104006391","","","0.7107","MoK\α","","","","","","","","","","","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2103966","6.7138","0.0004","15.7407","0.0011","9.1732","0.0007","90","","90","","90","","969.42","0.12","293","2","293","2","","","","","","","","4","C m c a","-C 2ac 2","64","","","","- C H3 Na2 O6 -","- C H3 Na2 O6.0002 -","- C8 H24 Na16 O48.0016 -","8","","NA5004","Pritchard, Robin Gavin; Islam, Emran","Sodium percarbonate between 293 and 100K","Acta Crystallographica Section B","2003","59","5","596","605","10.1107/S0108768103012291","","","0.71073","MoKα","","0.0582","0.0276","","","0.0546","0.0644","","","","","","1.043","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2103967","6.703","0.0003","15.7388","0.0007","9.1684","0.0004","90","","90","","90","","967.24","0.07","250","2","250","2","","","","","","","","4","C m c a","-C 2ac 2","64","","","","- C H3 Na2 O6 -","- C H3 Na2 O6.0002 -","- C8 H24 Na16 O48.0016 -","8","","NA5004","Pritchard, Robin Gavin; Islam, Emran","Sodium percarbonate between 293 and 100K","Acta Crystallographica Section B","2003","59","5","596","605","10.1107/S0108768103012291","","","0.71073","MoKα","","0.0313","0.026","","","0.0614","0.0649","","","","","","1.075","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2103974","6.73","0.0004","15.745","0.0011","9.183","0.0007","90","","90","","90","","973.07","0.12","293","2","293","2","","","","","","","","4","C m c a","-C 2ac 2","64","","","","- C H3 Na2 O6 -","- C H3 Na2 O5.999 -","- C8 H24 Na16 O47.992 -","8","","NA5004","Pritchard, Robin Gavin; Islam, Emran","Sodium percarbonate between 293 and 100K","Acta Crystallographica Section B","2003","59","5","596","605","10.1107/S0108768103012291","","","1.5418","CuKα","","0.0377","0.0377","","","0.0865","0.0865","","","","","","1.327","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2104940","7.4634","0.0002","22.0476","0.001","19.6139","0.0009","90","","90","","90","","3227.5","0.2","375","2","375","2","","","","","","","","5","C m c a","-C 2ac 2","64","","","","- C12 H40 Cd3 Cl10 N4 -","- C12 H39 Cd3 Cl10 N4 -","- C48 H156 Cd12 Cl40 N16 -","4","","KD5047","Gagor, Anna; Waśkowska, Alicja; Czapla, Zbigniew; Dacko, Slawomir","Structural phase transitions in tetra(isopropylammonium) decachlorotricadmate(II), [(CH~3~)~2~CHNH~3~]~4~Cd~3~Cl~10~, crystal with a two-dimensional cadmium(II) halide network","Acta Crystallographica Section B","2011","67","2","122","129","10.1107/S0108768110054583","","","0.71073","MoKα","","0.0487","0.0248","","","0.049","0.0539","","","","","","0.899","","","","has coordinates,has Fobs","176768","2020-10-21","18:00:00",""
"2106045","9.863","","7.791","","7.833","","90","","90","","90","","601.908","","","","","","","","","","","","","2","C m c a","-C 2ac 2","64","","","","- Fe Si2 -","- Fe Si2 -","- Fe16 Si32 -","16","","","Dusausoy, Y.; Protas, J.","Structure cristalline du disilicure de fer, Fe Si2 beta","Acta Crystallographica B (24,1968-38,1982)","1971","27","","1209","1218","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"2106067","4.242","","10.302","","6.868","","90","","90","","90","","300.139","","","","","","","","","","","","","3","C m c a","-C 2ac 2","64","","(U O2) (O H)2","","- H2 O4 U -","- O4 U -","- O16 U4 -","4","","","Taylor, J.C.","The structure of the alpha form of uranyl hydroxide","Acta Crystallographica B (24,1968-38,1982)","1971","27","","1088","1091","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2106224","12.273","","13.646","","12.777","","90","","90","","90","","2139.86","","","","","","","","","","","","","4","C m c a","-C 2ac 2","64","","Cu3 (C N)4 (N H3)3","","- C4 H9 Cu3 N7 -","- C4 Cu3 N7.01 -","- C32 Cu24 N56.08 -","8","","","Williams, R.J.; Cromer, D.T.; Larson, A.C.","The Crystal Structure of a Mixed Valence Copper Cyanide Complex, Cu3 (N H3)3 (C N)4","Acta Crystallographica B (24,1968-38,1982)","1971","27","","1701","1706","","","","","","","","","","","","","","","","","","","","","","has coordinates","148229","2020-10-21","18:00:00",""
"2106495","5.345","","14.884","","10.898","","90","","90","","90","","866.99","","","","","","","","","","","","","1","C m c a","-C 2ac 2","64","","Pu19 Os","","- Pu19 -","- Pu19 -","- Pu38 -","2","","","Cromer, D.T.","Plutonium-Osmium my-Pu19 Os","Acta Crystallographica B (24,1968-38,1982)","1978","34","","913","915","","","","","","","","","","","","","","","","","","","","","","has coordinates","150617","2020-10-21","18:00:00",""
"2106575","7.216","","11.899","","14.716","","90","","90","","90","","1263.56","","","","","","","","","","","","","3","C m c a","-C 2ac 2","64","","Na2 (W2 O7)","","- Na2 O7 W2 -","- Na2 O7 W2 -","- Na16 O56 W16 -","8","","","Okada, K.; Morikawa, H.; Marumo, F.; Iwai, S.I.","Disodium ditungstate","Acta Crystallographica B (24,1968-38,1982)","1975","31","","1200","1201","","","","","","","","","","","","","","","","","","","","","","has coordinates","151425","2020-10-21","18:00:00",""
"2106681","6.624","","8.637","","11.872","","90","","90","","90","","679.215","","","","","","","","","","","","","3","C m c a","-C 2ac 2","64","","Zr2 O (P O4)2","","- O9 P2 Zr2 -","- O9 P2 Zr2 -","- O36 P8 Zr8 -","4","","","Gebert, W.; Tillmanns, E.","Die Kristallstruktur von Dizirkondiorthophosphat","Acta Crystallographica B (24,1968-38,1982)","1975","31","","1768","1770","","","","","","","","","","","","","","","","","","","","","","has coordinates","154914","2020-10-21","18:00:00",""
"2106974","14.505","","17.596","","10.375","","90","","90","","90","","2648.01","","","","","","","","","","","","","5","C m c a","-C 2ac 2","64","","Na2 Li Y Si6 O15","","- Li Na2 O15 Si6 Y -","- Li Na2 O15 Si6 Y -","- Li8 Na16 O120 Si48 Y8 -","8","","","Gunawardane, R.P.; Howie, R.A.; Glasser, F.P.","Structure of Lithium Sodium Yttrium Silicate Na2 Li Y Si6 O15","Acta Crystallographica B (24,1968-38,1982)","1982","38","","1405","1408","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2107151","6.03","","11.486","","8.312","","90","","90","","90","","575.694","","","","","","","","","","","","","3","C m c a","-C 2ac 2","64","","Co3 V2 O8","","- Co3 O8 V2 -","- Co3 O8 V2 -","- Co12 O32 V8 -","4","","","Sauerbrei, E.E.; Calvo, C.; Faggiani, R.","Refinement of the crystal structures of Co V2 O8 and Ni V2 O8","Acta Crystallographica B (24,1968-38,1982)","1973","29","","2304","2306","","","","","","","","","","","","","","","","","","","","","","has coordinates","167192","2020-10-21","18:00:00",""
"2107152","5.936","","11.42","","8.24","","90","","90","","90","","558.582","","","","","","","","","","","","","3","C m c a","-C 2ac 2","64","","Ni3 V2 O8","","- Ni3 O8 V2 -","- Ni3 O8 V2 -","- Ni12 O32 V8 -","4","","","Sauerbrei, E.E.; Calvo, C.; Faggiani, R.","Refinement of the crystal structures of Co V2 O8 and Ni V2 O8","Acta Crystallographica B (24,1968-38,1982)","1973","29","","2304","2306","","","","","","","","","","","","","","","","","","","","","","has coordinates","167193","2020-10-21","18:00:00",""
"2200062","16.5665","0.001","16.78","0.0009","25.0342","0.001","90","","90","","90","","6959.2","0.6","293","2","293","2","","","","","","","","6","C m c a","-C 2ac 2","64","none","Tetrakis(hydroxonium) bis(tetrachlorogallate) dichloride cucurbituril decahydrate","","- C36 H68 Cl10 Ga2 N24 O26 -","- C36 H66 Cl10 Ga2 N24 O26 -","- C144 H264 Cl40 Ga8 N96 O104 -","4","","NA6021","Virovets, Alexander V.; Samsonenko, Denis G.; Sokolov, Maxim N.; Fedin, Vladimir P.","Supramolecular adduct of tetrachlorogallate with cucurbituril: (H~7~O~3~)~4~[GaCl~4~]~2~Cl~2~·C~36~H~36~N~24~O~12~·2H~2~O","Acta Crystallographica Section E","2001","57","1","m33","m34","10.1107/S1600536800019498","","","0.71073","MoKα","","0.072","0.051","","","","0.183","","","","","","1.044","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2200234","7.6864","0.0005","9.5175","0.0003","18.348","0.0012","90","","90","","90","","1342.25","0.13","180","2","180","2","","","","","","","","3","C m c a","-C 2ac 2","64","Pentafluorobenzonitrile","Pentafluorobenzonitrile","","- C7 F5 N -","- C7 F5 N -","- C56 F40 N8 -","8","","WN6003","Bond, Andrew D.; Davies, John E.; Griffiths, Joanne; Rawson, Jeremy M.","Pentafluorobenzonitrile","Acta Crystallographica Section E","2001","57","3","o231","o233","10.1107/S1600536801002641","","","0.71073","MoKα","","0.044","0.0365","","0.1357","","0.1076","","","1.118","","","1.147","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2200909","6.8433","0.0019","15.585","0.009","16.646","0.0012","90","","90","","90","","1775.3","1.1","293","2","293","2","","","","","","","","5","C m c a","-C 2ac 2","64","","o-Methylselenobenzoyl cyanide","","- C9 H7 N O Se -","- C9 H7 N O Se -","- C72 H56 N8 O8 Se8 -","8","","DN6021","Dupont, Léon; Messali, Mouslim; Christiaens, Léon","<i>o</i>-Methylselenobenzoyl cyanide","Acta Crystallographica Section E","2002","58","3","o341","o342","10.1107/S1600536802003422","","","1.5418","CuKα","","0.0537","0.0415","","","0.1051","0.1106","","","","","","1.008","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2201176","9.9331","0.0014","20.188","0.003","14.701","0.002","90","","90","","90","","2948","0.7","193","2","193","2","","","","","","","","5","C m c a","-C 2ac 2","64","","3-methyl-1,2-butadiene-1,1-diphosphonic acid, anilinium salt","","- C11 H17 N O6 P2 -","- C11 H17 N O6 P2 -","- C88 H136 N8 O48 P16 -","8","","OM6082","Angelov, Christo M.; van den Heever, Johan P.; McDonald, Robert; McEwan, Alexander J. B.; Mercer, John R.; 3-methyl-1,2-butadiene-1,1-diphosphonic acid, anilinium salt","Anilinium 3-methyl-1,2-butadienyl-1,1-diphosphonate(1‒)","Acta Crystallographica Section E","2002","58","5","o498","o500","10.1107/S1600536802005743","","","0.71073","MoKα","","0.0679","0.0428","","","0.0983","0.1102","","","","","","1.015","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2201926","10.083","0.0007","23.996","0.0016","10.3082","0.0007","90","","90","","90","","2494.1","0.3","293","2","293","2","","","","","","","","7","C m c a","-C 2ac 2","64","","(1,2-Diaminocyclohexane)silver(I) trifluoromethanesulfonate","","- C7 H14 Ag F3 N2 O3 S -","- C7 H14 Ag F3 N2 O3 S -","- C56 H112 Ag8 F24 N16 O24 S8 -","8","","CV6167","Anwar Usman; Hoong-Kun Fun; Hai-Liang Zhu; Xian-Jiang Wang","(1,2-Diaminocyclohexane)silver(I) trifluoromethanesulfonate","Acta Crystallographica Section E","2003","59","3","m131","m133","10.1107/S160053680300240X","","","0.71073","MoKα","","0.0747","0.065","","","0.156","0.1633","","","","","","1.204","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00",""
"2202157","6.923","0.001","11.616","0.002","19.413","0.004","90","","90","","90","","1561.1","0.5","293","2","293","2","","","","","","","","4","C m c a","-C 2ac 2","64","2-amino-6-bromo-pyridinium bromide","2-amino-6-bromo-pyridinium bromide","","- C5 H6 Br2 N2 -","- C5 H6 Br2 N2 -","- C40 H48 Br16 N16 -","8","","OM6141","Holmes, Brian T.; Padgett, Clifford W.; Pennington, William T.","2-Amino-6-bromopyridinium bromide","Acta Crystallographica Section E","2003","59","6","o862","o864","10.1107/S1600536803008870","","","0.71073","MoKα","","0.0601","0.0397","","","0.1062","0.1162","","","","","","1.026","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2202309","13.3019","0.001","18.6809","0.0015","16.5245","0.0015","90","","90","","90","","4106.2","0.6","180","2","180","2","","","","","","","","5","C m c a","-C 2ac 2","64","","","","- C6 H8 Ag I2 N -","- C6 H8 Ag I2 N -","- C96 H128 Ag16 I32 N16 -","16","","BR6123","Alcock, Nathaniel W.; Archibald, Stephen J.; Busch, Daryle H","A silver‒iodine chain complex: <i>catena</i>-poly[anilinium [silver(I)-di-μ-iodo]], {[PhNH~3~][AgI~2~]}~<i>n~</i>","Acta Crystallographica Section E","2003","59","12","m1110","m1111","10.1107/S1600536803024966","","","0.71073","MoKα","","0.0375","0.0286","","","0.0661","0.0697","","","","","","0.98","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2203586","22.979","0.005","8.718","0.0017","15.697","0.003","90","","90","","90","","3144.6","1.1","293","2","298","2","","","","","","","","3","C m c a","-C 2ac 2","64","","1,2,3,5,6,7,8,9-Octachloro-cyclopenta[def]phenanthren-4-one","","- C15 Cl8 O -","- C15 Cl8 O -","- C120 Cl64 O8 -","8","","CV6304","Ying Peng; Su-Yuan Xie; Shun-Liu Deng; Rong-Bin Huang; Lan-Sun Zheng","1,2,3,5,6,7,8,9-Octachlorocyclopenta[<i>def</i>]phenanthren-4-one","Acta Crystallographica Section E","2004","60","5","o899","o900","10.1107/S1600536804009973","","","0.71073","MoKα","","0.0849","0.0498","","","0.0975","0.1099","","","","","","1.042","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2204300","12.72","0.004","9.81","0.003","21.71","0.007","90","","90","","90","","2709","1.5","298","2","298","2","","","","","","","","6","C m c a","-C 2ac 2","64","","Bis(2-aminopyridine-κN^1^)silver(I) perchlorate","","- C10 H12 Ag Cl N4 O4 -","- C10 H12 Ag Cl N4 O4 -","- C80 H96 Ag8 Cl8 N32 O32 -","8","","CI6443","Deng, Bing; Liu, Zhao-Di; Liu, Xiu-Ying; Tan, Min-Yu; Zhu, Hai-Liang","Bis(2-aminopyridine-κ<i>N</i>^1^)silver(I) perchlorate","Acta Crystallographica Section E","2004","60","10","m1444","m1446","10.1107/S1600536804022780","","","0.71073","MoKα","","0.0761","0.0552","","","0.147","0.174","","","","","","1.103","","","","has coordinates,has disorder,has Fobs","176432","2020-10-21","18:00:00",""
"2205229","21.662","0.002","16.726","0.002","7.405","0.001","90","","90","","90","","2683","0.5","295","2","295","2","","","","","","","","5","C m c a","-C 2ac 2","64","","catena-Poly[[μ-4,4'-bipyridine-bis[aquacopper(II)]]-di-μ-2-nitroterephthalato]","","- C26 H18 Cu2 N4 O14 -","- C26 H18 Cu2 N4 O14 -","- C104 H72 Cu8 N16 O56 -","4","","CF6404","He, Hong-Yin; Zhu, Long-Guan; Ng, Seik Weng","<i>catena</i>-Poly[[[μ-4,4'-bipyridine-bis[aquacopper(II)]]-di-μ-2-nitroterephthalato]","Acta Crystallographica Section E","2005","61","3","m601","m602","10.1107/S1600536805005751","","","0.71073","MoKα","","0.087","0.05","","","0.125","0.137","","","","","","0.92","","","","has coordinates,has disorder,has Fobs","176432","2020-10-21","18:00:00",""
"2206624","14.149","0.002","10.1346","0.0015","13.3806","0.0018","90","","90","","90","","1918.7","0.5","292","2","292","2","","","","","","","","4","C m c a","-C 2ac 2","64","","2,2,6,6-Tetramethyl-piperidin-4-ol","","- C9 H19 N O -","- C9 H19 N O -","- C72 H152 N8 O8 -","8","","BH6018","Nengfang, She; Huizhen Guo; Guodong Yin; Anxin Wu","2,2,6,6-Tetramethylpiperidin-4-ol","Acta Crystallographica Section E","2005","61","9","o2902","o2903","10.1107/S1600536805024372","","","0.71073","MoKα","","0.0854","0.0525","","","0.108","0.1202","","","","","","0.877","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2208175","19.345","0.002","8.1767","0.0009","22.104","0.002","90","","90","","90","","3496.4","0.6","295","1","295","1","","","","","","","","6","C m c a","-C 2ac 2","64","bis(dibenzoylmethanato)di(thiomorpholine)cobalt(II)","bis(1,3-diphenylpropane-1,3-dionato)bis(thiomorpholine)cobalt(II)","","- C38 H40 Co N2 O4 S2 -","- C38 H40 Co N2 O4 S2 -","- C152 H160 Co4 N8 O16 S8 -","4","","SU6258","Nenad Judaš; Ivan Halasz; Dejan-Krešimir Bučar","Self-assembly of bis(1,3-diphenylpropane-1,3-dionato-κ^2^<i>O</i>,<i>O</i>')bis(thiomorpholine-κ<i>N</i>)cobalt(II)","Acta Crystallographica Section E","2006","62","2","m283","m285","10.1107/S1600536806000596","","","0.71073","MoKα","","0.1024","0.0587","","","0.1605","0.1089","","","","","","1.332","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2208195","43.176","0.008","16.073","0.002","16.037","0.002","90","","90","","90","","11129","3","173","2","173","2","","","","","","","","5","C m c a","-C 2ac 2","64","caesium lantanum chloride oxo-selenate(IV)","Tricaesium undecalanthanum dodecaselenate(IV) dodecachloride","","- Cl12 Cs3 La11 O36 Se12 -","- Cl12 Cs3 La11 O36 Se12 -","- Cl96 Cs24 La88 O288 Se96 -","8","","WM6125","Petr S. Berdonosov; Olga S. Oleneva; Valery A. Dolgikh","Tricaesium undecalanthanum dodecaselenate(IV) dodecachloride","Acta Crystallographica Section E","2006","62","2","i29","i31","10.1107/S1600536806002042","","","0.71073","MoKα","","0.0786","0.044","","","0.083","0.0946","","","","","","0.996","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2208291","6.4881","0.0007","18.0686","0.0019","12.7422","0.0018","90","","90","","90","","1493.8","0.3","296","2","296","2","","","","","","","","4","C m c a","-C 2ac 2","64","","Diaminopyrimidinium squarate 1.394-hydrate","","- C12 H14.79 N6 O5.39 -","- C12 H14.788 N6 O5.394 -","- C48 H59.152 N24 O21.576 -","4","","CI6754","Körog̃lu, Ahmet","Diaminopyrimidinium squarate 1.394-hydrate","Acta Crystallographica Section E","2006","62","3","o1036","o1037","10.1107/S160053680600482X","","","0.71073","MoKα","","0.0626","0.0403","","","0.0952","0.104","","","","","","1.031","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2208301","6.7257","0.0004","14.3806","0.0008","26.0364","0.0015","90","","90","","90","","2518.2","0.3","273","2","273","2","","","","","","","","5","C m c a","-C 2ac 2","64","","4-Amino-1-(4-nitrobenzyl)pyridinium bromide","","- C12 H12 Br N3 O2 -","- C12 H12 Br N3 O2 -","- C96 H96 Br8 N24 O16 -","8","","CV6638","Sundar, T. V.; Parthasarathi, V.; Ravikumar, K.; Venkatesan, P.; Nallu, M.","4-Amino-1-(4-nitrobenzyl)pyridinium bromide","Acta Crystallographica Section E","2006","62","3","o1118","o1120","10.1107/S1600536806005605","","","0.71073","MoKα","","0.0264","0.0244","","","0.0655","0.0677","","","","","","1.055","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2208383","8.877","0.003","15.602","0.006","14.17","0.004","90","","90","","90","","1962.5","1.1","293","2","293","2","","","","","","","","5","C m c a","-C 2ac 2","64","","catena-Poly[[bis(isothiocyanato-κN)copper(II)]bis(μ-1,1'-methylenedi-1H- imidazole-κN^3^:κN^3'^)]","","- C16 H16 Cu N10 S2 -","- C16 H16 Cu N10 S2 -","- C64 H64 Cu4 N40 S8 -","4","","LH6595","Cui, Guang-Hua; Dong, Gui-Ying; Ribas Joan","<i>catena</i>-Poly[[bis(isothiocyanato-κ<i>N</i>)copper(II)]bis(μ-1,1'-methylenedi-1<i>H</i>-imidazole-κ<i>N</i>^3^:κ<i>N</i>^3'^)]","Acta Crystallographica Section E","2006","62","3","m523","m525","10.1107/S1600536806004843","","","0.71073","MoKα","","0.0425","0.0297","","","0.0661","0.0708","","","","","","1.045","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2209720","13.98","0.02","13.45","0.01","17.15","0.02","90","","90","","90","","3225","6","296.1","","","","","","","","","","","6","C m c a","-C 2ac 2","64","","Chloro(N,N'-dimethyldithiocarbamato-κ^2^S,S')(1,10-phenanthroline- κ^2^N,N')copper(II)","","- C15 H14 Cl Cu N3 S2 -","- C15 H14 Cl Cu N3 S2 -","- C120 H112 Cl8 Cu8 N24 S16 -","8","","YM2006","Nobuo, Okabe; Munehiro, Tomoda; Mamiko, Odoko; Masahiro, Yodoshi","Chloro(<i>N</i>,<i>N</i>'-dimethyldithiocarbamato-κ^2^<i>S</i>,<i>S</i>')(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')copper(II)","Acta Crystallographica Section E","2006","62","7","m1589","m1591","10.1107/S160053680602263X","","","0.7107","MoKα","","","0.026","","","","0.083","","","","","","1.127","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2211951","19.7316","0.0011","15.3962","0.0009","13.8017","0.0008","90","","90","","90","","4192.8","0.4","293","2","293","2","","","","","","","","6","C m c a","-C 2ac 2","64","","Bis(4-acetylanilinium) tetrachlorocuprate(II)","","- C16 H20 Cl4 Cu N2 O2 -","- C16 H20 Cl4 Cu N2 O2 -","- C128 H160 Cl32 Cu8 N16 O16 -","8","","SJ2195","A. Elangovan; A. Thamaraichelvan; A. Ramu; S. Athimoolam; S. Natarajan","Bis(4-acetylanilinium) tetrachlorocuprate(II)","Acta Crystallographica Section E","2007","63","1","m224","m226","10.1107/S1600536806053323","","","0.71069","MoKα","","0.0566","0.0402","","","0.1024","0.1105","","","","","","1.035","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2212625","6.4813","0.0006","9.8306","0.0009","21.623","0.002","90","","90","","90","","1377.7","0.2","298","2","298","2","","","","","","","","4","C m c a","-C 2ac 2","64","","1,2,4-Triazolo[1,5-a]pyrimidin-1-ium chloride","","- C5 H5 Cl N4 -","- C5 H5 Cl N4 -","- C40 H40 Cl8 N32 -","8","","KP2087","Carmen R. Maldonado; Miguel Quirós; Juan M. Salas","1,2,4-Triazolo[1,5-<i>a</i>]pyrimidin-3-ium chloride","Acta Crystallographica Section E","2007","63","3","o1509","o1510","10.1107/S1600536807008641","","","0.71073","MoKα","","0.039","0.036","","","0.09","0.092","","","","","","1.1","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2212933","7.1242","0.0001","12.9594","0.0002","16.3909","0.0003","90","","90","","90","","1513.3","0.04","293","2","293","2","","","","","","","","5","C m c a","-C 2ac 2","64","","Tetraamminebis(pyrazine-2-carboxylato-κN^4^)copper(II)","","- C10 H18 Cu N8 O4 -","- C10 H18 Cu N8 O4 -","- C40 H72 Cu4 N32 O16 -","4","","HY2048","Peng, Shao-Wei; Miao, Yan-Li; Song, Wen-Dong","Tetraamminebis(pyrazine-2-carboxylato-κ<i>N</i>^4^)copper(II)","Acta Crystallographica Section E","2007","63","4","m1145","m1146","10.1107/S1600536807013207","","","0.71073","MoKα","","0.0268","0.0255","","","0.0654","0.0663","","","","","","1.147","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2215057","20.4841","0.0006","7.1692","0.0002","13.9008","0.0004","90","","90","","90","","2041.4","0.1","90","2","90","2","","","","","","","","6","C m c a","-C 2ac 2","64","(hfac)2Ni(MeCN)2","<i>trans</i>-Bis(acetonitrile-κN)bis(1,1,1,5,5,5-hexafluoropentane-2,4-\ dionato-κ^2^O,O')nickel(II)","","- C14 H8 F12 N2 Ni O4 -","- C14 H8 F12 N2 Ni O4 -","- C56 H32 F48 N8 Ni4 O16 -","4","","CI2433","Southerland, Heather; Donovan, Jeff; Twamley, Brendan; Manson, Jamie","<i>trans</i>-Bis(acetonitrile-κ<i>N</i>)bis(1,1,1,5,5,5-hexafluoropentane-2,4-dionato-κ^2^<i>O</i>,<i>O</i>')nickel(II)","Acta Crystallographica Section E","2007","63","9","m2308","m2308","10.1107/S1600536807038226","","","0.71073","MoKα","","0.028","0.0259","","","0.0666","0.0685","","","","","","1.077","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2216001","7.2107","0.0007","14.6318","0.0018","11.8392","0.0011","90","","90","","90","","1249.1","0.2","120","2","120","2","","","","","","","","5","C m c a","-C 2ac 2","64","","trans-Tetrachloridobis(pyrazine-κN)platinum(IV)","","- C8 H8 Cl4 N4 Pt -","- C8 H8 Cl4 N4 Pt -","- C32 H32 Cl16 N16 Pt4 -","4","","HK2345","Mohammad Yousefi; Teimouri, Shabahang; Amani, Vahid; Khavasi, Hamid Reza","<i>trans</i>-Tetrachloridobis(pyrazine-κ<i>N</i>)platinum(IV)","Acta Crystallographica Section E","2007","63","11","m2869","m2870","10.1107/S1600536807052555","","","0.71073","MoKα","","0.0533","0.0529","","","0.153","0.1536","","","","","","1.382","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2216683","12.968","0.005","25.868","0.005","9.24","0.005","90","","90","","90","","3100","2","293","2","100","2","","","","","","","","6","C m c a","-C 2ac 2","64","","dipotassium di-μ~2~-hydroxido-bis{[<i>N</i>,<i>N</i>- bis(carboxylatomethyl)leucinato- κ^4^<i>N</i>,<i>O</i>,<i>O</i>',<i>O</i>'']cobaltate(III)} tetrahydrate","","- C20 H36 Co2 K2 N2 O18 -","- C20 H28 Co2 K2 N2 O18 -","- C80 H112 Co8 K8 N8 O72 -","4","","NG2364","Visser, Hendrik G.; Purcell, Walter; Muller, Alfred; Janse van Rensburg, J. Marthinus; Molosia, Phillip","Racemic dipotassium di-μ~2~-hydroxido-bis{[<i>N</i>,<i>N</i>-bis(carboxylatomethyl)leucinato-κ^4^<i>N</i>,<i>O</i>,<i>O</i>',<i>O</i>'']cobaltate(III)} tetrahydrate","Acta Crystallographica Section E","2007","63","12","m2998","m2999","10.1107/S1600536807056437","","","0.71073","MoKα","","","0.0542","","","","0.1334","","","","","","1.238","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2216752","9.5579","0.001","7.0127","0.0008","24.231","0.003","90","","90","","90","","1624.1","0.3","100","2","100","2","100","","","","","","","5","C m c a","-C 2ac 2","64","","Sodium benzenesulfonothioate","","- C6 H5 Na O2 S2 -","- C6 H5 Na O2 S2 -","- C48 H40 Na8 O16 S16 -","8","","SG2202","Rothenberger, Alexander; Langer, Robert","Sodium benzenesulfonothioate","Acta Crystallographica Section E","2007","63","12","m3093","m3093","10.1107/S1600536807059065","","","0.71073","MoKα","","0.0429","0.0323","","","0.0748","0.0786","","","","","","1.051","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2220063","20.171","0.004","23.17","0.005","13.316","0.003","90","","90","","90","","6223","2","295","2","295","2","","","","","","","","6","C m c a","-C 2ac 2","64","","Tris(2,2'-bipyridine-κ^2^<i>N</i>:<i>N</i>')cobalt(III) trichloride tetrahydrate","","- C30 H32 Cl3 Co N6 O4 -","- C30 H32 Cl3 Co N6 O4 -","- C240 H256 Cl24 Co8 N48 O32 -","8","","BG2219","Liu, Wen; Xu, Wei; Lin, Jian-Li; Xie, Hong-Zhen","Tris(2,2'-bipyridine-κ^2^<i>N</i>:<i>N</i>')cobalt(III) trichloride tetrahydrate","Acta Crystallographica Section E","2008","64","12","m1586","","10.1107/S1600536808038154","","","0.71073","MoKα","","0.0869","0.0562","","","0.1406","0.1619","","","","","","1.03","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2220836","35.396","0.003","12.3733","0.001","15.2324","0.0013","90","","90","","90","","6671.3","1","273","2","273","2","","","","","","","","7","C m c a","-C 2ac 2","64","","<i>catena</i>-Poly[[[tetraaquapraseodymium(III)]-di-μ-nicotinato- κ^2^<i>O</i>:<i>N</i>;κ^2^<i>O</i>:<i>N</i>-disilver(I)-di-μ-nicotinato- κ^2^<i>N</i>:<i>O</i>;κ^2^<i>N</i>:<i>O</i>] perchlorate monohydrate]","","- C24 H26 Ag2 Cl N4 O17 Pr -","- C24 H26 Ag2 Cl N4 O17 Pr -","- C192 H208 Ag16 Cl8 N32 O136 Pr8 -","8","","HY2177","Guan, Biao; Zhang, Chao-Hua; Song, Wen-Dong","<i>catena</i>-Poly[[[tetraaquapraseodymium(III)]-di-μ-nicotinato-κ^2^<i>O</i>:<i>N</i>;κ^2^<i>O</i>:<i>N</i>-disilver(I)-di-μ-nicotinato-κ^2^<i>N</i>:<i>O</i>;κ^2^<i>N</i>:<i>O</i>] perchlorate monohydrate]","Acta Crystallographica Section E","2009","65","2","m208","m209","10.1107/S1600536809001718","","","0.71073","MoKα","","0.0472","0.0363","","","0.0907","0.0974","","","","","","1.062","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2221501","15.0848","0.0016","11.5031","0.0012","10.0105","0.001","90","","90","","90","","1737","0.3","100","0.1","100","0.1","","","","","","","","3","C m c a","-C 2ac 2","64","decamethylcobaltocene","Bis(η^5^-pentamethylcyclopentadienyl)cobalt(II)","","- C20 H30 Co -","- C20 H30 Co -","- C80 H120 Co4 -","4","","SJ2590","Clark, Meghan M.; Brennessel, William W.; Holland, Patrick L.","Bis(η^5^-pentamethylcyclopentadienyl)cobalt(II)","Acta Crystallographica Section E","2009","65","4","m391","","10.1107/S1600536809007971","","","0.71073","MoKα","","0.0432","0.031","","","0.0813","0.0889","","","","","","1.074","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2222174","10.512","0.002","11.243","0.002","15.773","0.003","90","","90","","90","","1864.2","0.6","293","2","293","2","","","","","","","","3","C m c a","-C 2ac 2","64","Pentapraseodymiumtrisiliconnonanitride","Pentapraseodymiumtrisiliconnonanitride","","- N9 Pr5 Si3 -","- N9 Pr5 Si3 -","- N72 Pr40 Si24 -","8","","WM2229","Lupart, Saskia; Schnick, Wolfgang","Pr~5~Si~3~N~9~","Acta Crystallographica Section E","2009","65","6","i43","","10.1107/S1600536809016638","","","0.71073","MoKα","","0.0505","0.0368","","","0.0911","0.0968","","","","","","0.965","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2222744","35.14","0.005","12.3371","0.0016","15.046","0.002","90","","90","","90","","6522.8","1.5","298","2","298","2","","","","","","","","7","C m c a","-C 2ac 2","64","","Poly[pentaaquatetrakis(μ~2~-nicotinato-κ^2^<i>N</i>:<i>O</i>)(perchlorato- κ<i>O</i>)lanthanum(III)disilver(I)]","","- C24 H26 Ag2 Cl La N4 O17 -","- C24 H26 Ag2 Cl La N4 O17 -","- C192 H208 Ag16 Cl8 La8 N32 O136 -","8","","HY2200","Guan, Biao; Zhang, Chao-Hua; Song, Wen-Dong","Poly[pentaaquatetrakis(μ~2~-nicotinato-κ^2^<i>N</i>:<i>O</i>)(perchlorato-κ<i>O</i>)lanthanum(III)disilver(I)]","Acta Crystallographica Section E","2009","65","8","m896","m897","10.1107/S1600536809026130","","","0.71073","MoKα","","0.0714","0.0488","","","0.0867","0.0896","","","","","","1.946","","","","has coordinates,has disorder,has Fobs","176432","2020-10-21","18:00:00",""
"2223795","7.638","0.0015","8.224","0.0016","17.1","0.003","90","","90","","90","","1074.1","0.4","293","2","293","2","","","","","","","","4","C m c a","-C 2ac 2","64","","5-Chloropyrimidin-2-amine","","- C4 H4 Cl N3 -","- C4 H4 Cl N3 -","- C32 H32 Cl8 N24 -","8","","HB5158","Wang, Bin; Lu, Ran-Zhe; Han, Lu-Na; Wei, Wen-Bin; Wang, Hai-Bo","5-Chloropyrimidin-2-amine","Acta Crystallographica Section E","2009","65","11","o2863","","10.1107/S1600536809043645","","","0.71073","MoKα","","0.0386","0.0334","","","0.1095","0.1159","","","","","","0.92","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2224353","6.5157","0.0001","15.9127","0.0004","13.5175","0.0003","90","","90","","90","","1401.53","0.05","100","0.1","100","0.1","","","","","","","","5","C m c a","-C 2ac 2","64","","4,5-Dichloro-2-methylpyridazin-3(2<i>H</i>)-one","","- C5 H4 Cl2 N2 O -","- C5 H4 Cl2 N2 O -","- C40 H32 Cl16 N16 O8 -","8","","LH2946","Goh, Jia Hao; Fun, Hoong-Kun; Rukmini, P. V. R.; Kalluraya, B.","4,5-Dichloro-2-methylpyridazin-3(2<i>H</i>)-one","Acta Crystallographica Section E","2009","65","12","o3055","","10.1107/S1600536809046947","","","0.71073","MoKα","","0.0371","0.0299","","","0.081","0.0852","","","","","","1.091","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2226119","7.9088","0.0007","8.3617","0.001","18.3821","0.0016","90","","90","","90","","1215.6","0.2","295","2","295","2","","","","","","","","4","C m c a","-C 2ac 2","64","","5-Iodopyrimidin-2-amine","","- C4 H4 I N3 -","- C4 H4 I N3 -","- C32 H32 I8 N24 -","8","","GK2275","Chiang, Yen-Hsun; Wu, Chia-Jun; Cheng, Pei-Chi; Chen, Jhy-Der","5-Iodopyrimidin-2-amine","Acta Crystallographica Section E","2010","66","6","o1464","","10.1107/S1600536810019124","","","0.71073","MoKα","","0.033","0.0316","","","0.0865","0.0886","","","","","","1.096","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2226169","13.6149","0.0018","18.629","0.003","30.235","0.002","90","","90","","90","","7668.6","1.7","203","2","203","2","","","","","","","","5","C m c a","-C 2ac 2","64","","Hexakis(dimethylammonium) di-μ~6~-oxido-tetra-μ~3~-oxido- tetradeca-μ~2~-oxido-octaoxidodecavanadate(V) monohydrate","","- C12 H50 N6 O29 V10 -","- C12 H50 N6 O29 V10 -","- C96 H400 N48 O232 V80 -","8","","HY2304","Wang, Sulian; Lu, Liping; Feng, Sisi; Zhu, Miaoli","Hexakis(dimethylammonium) di-μ~6~-oxido-tetra-μ~3~-oxido-tetradeca-μ~2~-oxido-octaoxidodecavanadate(V) monohydrate","Acta Crystallographica Section E","2010","66","6","m632","","10.1107/S1600536810016442","","","0.71073","MoKα","","0.1155","0.0964","","","0.1685","0.1766","","","","","","1.257","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2226315","14.4959","0.0003","9.63748","0.00008","13.87746","0.00017","90","","90","","90","","1938.74","0.05","110","2","110","2","","","","","","","","6","C m c a","-C 2ac 2","64","","<i>catena</i>-Poly[[bis(ethylenediamine)copper(II)]-μ-sulfato]","","- C4 H16 Cu N4 O4 S -","- C4 H16 Cu N4 O4 S -","- C32 H128 Cu8 N32 O32 S8 -","8","","VM2026","Lutz, Martin; Smeets, Stef; Parois, Pascal","<i>catena</i>-Poly[[bis(ethylenediamine)copper(II)]-μ-sulfato]","Acta Crystallographica Section E","2010","66","6","m671","m672","10.1107/S160053681001737X","","","0.71073","MoKα","","0.0235","0.019","","","0.0466","0.0482","","","","","","1.102","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2227328","6.8263","0.0017","13.149","0.004","16.007","0.004","90","","90","","90","","1436.8","0.7","293","","293","","","","","","","","","5","C m c a","-C 2ac 2","64","","1-(3-Bromo-2-thienyl)ethanone","","- C6 H5 Br O S -","- C6 H5 Br O S -","- C48 H40 Br8 O8 S8 -","8","","CI5166","Mahendra, M.; Vivek, H. K.; Gaonkar, S. L.; Priya, B. S.; Nanjunda Swamy, S.","1-(3-Bromo-2-thienyl)ethanone","Acta Crystallographica Section E","2010","66","10","o2540","","10.1107/S1600536810034677","","","0.71073","MoKα","","0.0382","0.0265","","","0.0625","0.0672","","","","","","1.057","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2227420","21.778","0.003","13.0387","0.0019","12.38","0.0018","90","","90","","90","","3515.4","0.9","291","2","291","2","","","","","","","","6","C m c a","-C 2ac 2","64","","<i>catena</i>-Poly[hexaaqua-1κ<i>O</i>,2κ<i>O</i>,3κ^4^<i>O</i>-(μ~4~- 3,5-dicarboxylatopyrazol-1-ido-3':1:2:3κ^6^<i>O</i>^5^:<i>N</i>^1^, <i>O</i>^5'^:<i>N</i>^2^,<i>O</i>^3^:<i>O</i>^3'^)(μ~2~-3,5- dicarboxylatopyrazol-1-ido-1:2κ^4^<i>N</i>^2^,<i>O</i>^3^:<i>N</i>^1^, <i>O</i>^5^)-1,2-dicopper(II)-3-manganese(II)]","","- C10 H14 Cu2 Mn N4 O14 -","- C10 H14 Cu2 Mn N4 O14 -","- C80 H112 Cu16 Mn8 N32 O112 -","8","","FJ2333","Zhou, Xin-Hui","<i>catena</i>-Poly[hexaaqua-1κ<i>O</i>,2κ<i>O</i>,3κ^4^<i>O</i>-(μ~4~-3,5-dicarboxylatopyrazol-1-ido-3':1:2:3κ^6^<i>O</i>^5^:<i>N</i>^1^,<i>O</i>^5'^:<i>N</i>^2^,<i>O</i>^3^:<i>O</i>^3'^)(μ~2~-3,5-dicarboxylatopyrazol-1-ido-1:2κ^4^<i>N</i>^2^,<i>O</i>^3^:<i>N</i>^1^,<i>O</i>^5^)-1,2-dicopper(II)-3-manganese(II)]","Acta Crystallographica Section E","2010","66","10","m1309","","10.1107/S1600536810037542","","","0.71073","MoKα","","0.0651","0.0567","","","0.1217","0.1257","","","","","","1.259","","","","has coordinates,has disorder,has Fobs","176432","2020-10-21","18:00:00",""
"2229803","24.6478","0.0004","9.5107","0.0002","7.6723","0.0002","90","","90","","90","","1798.52","0.07","100","2","100","2","","","","","","","","6","C m c a","-C 2ac 2","64","","<i>trans</i>-Diaquabis(cyclohexane-1,2-diamine)zinc(II) dichloride","","- C12 H32 Cl2 N4 O2 Zn -","- C12 H32 Cl2 N4 O2 Zn -","- C48 H128 Cl8 N16 O8 Zn4 -","4","","PV2395","Karimnejad, Kamelia; Khaledi, Hamid; Mohd Ali, Hapipah","<i>trans</i>-Diaquabis(cyclohexane-1,2-diamine)zinc(II) dichloride","Acta Crystallographica Section E","2011","67","4","m421","","10.1107/S1600536811008166","","","0.71073","MoKα","","0.0299","0.0213","","","0.0493","0.0527","","","","","","1.043","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2230821","34.224","0.006","7.4629","0.0014","15.131","0.003","90","","90","","90","","3864.6","1.3","100","","100","","","","","","","","","2","C m c a","-C 2ac 2","64","","[6]Cyclo-2,7-naphthylene","","- C60 H36 -","- C60 H36 -","- C240 H144 -","4","","NR2007","Nakanishi, Waka; Xue, Jing Yang; Yoshioka, Tomoaki; Isobe, Hiroyuki","[6]Cyclo-2,7-naphthylene: a redetermination","Acta Crystallographica Section E","2011","67","7","o1762","o1763","10.1107/S1600536811023427","","","0.71073","MoKα","","0.0855","0.0664","","","0.1605","0.1812","","","","","","1.056","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2230907","9.4025","0.0009","16.7146","0.001","8.7886","0.0005","90","","90","","90","","1381.21","0.17","200","2","200","2","","","","","","","","5","C m c a","-C 2ac 2","64","","Poly[bis(μ~2~-pyrimidine-κ^2^<i>N</i>:<i>N</i>')bis(selenocyanato- κ<i>N</i>)zinc]","","- C10 H8 N6 Se2 Zn -","- C10 H8 N6 Se2 Zn -","- C40 H32 N24 Se8 Zn4 -","4","","WM2498","Boeckmann, Jan; Reinert, Thorben; Näther, Christian","Poly[bis(μ~2~-pyrimidine-κ^2^<i>N</i>:<i>N</i>')bis(selenocyanato-κ<i>N</i>)zinc]","Acta Crystallographica Section E","2011","67","7","m948","","10.1107/S1600536811023129","","","0.71073","MoKα","","0.0292","0.0286","","","0.0726","0.073","","","","","","1.147","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2233101","6.7499","0.0002","20.3357","0.0005","17.1671","0.0004","90","","90","","90","","2356.42","0.11","293","2","293","2","","","","","","","","5","C m c a","-C 2ac 2","64","<i>N</i>-(2-Chloro-4-nitrophenyl)maleamic acid monohydrate","3-[(2-chloro-4-nitrophenyl)carbamoyl]prop-2-enoic acid monohydrate","","- C10 H9 Cl N2 O6 -","- C10 H9 Cl N2 O6 -","- C80 H72 Cl8 N16 O48 -","8","","BT5742","Shakuntala, K.; Fronc, Marek; Gowda, B. Thimme; Kožíšek, Jozef","<i>N</i>-(2-Chloro-4-nitrophenyl)maleamic acid monohydrate","Acta Crystallographica Section E","2012","68","1","o99","o100","10.1107/S1600536811052573","","","0.71073","MoKα","","0.0509","0.0442","","","0.122","0.1281","","","","","","1.071","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2234515","10.567","0.003","20.531","0.004","6.388","0.001","90","","90","","90","","1385.9","0.5","293","2","293","2","","","","","","","","5","C m c a","-C 2ac 2","64","","potassium strontium trialuminium tetraarsenate","","- Al3 As4 K1.8 O16 Sr0.6 -","- Al3 As4 K1.8 O16 Sr0.6 -","- Al12 As16 K7.2 O64 Sr2.4 -","4","","BR2195","Haj Abdallah, Anissa; Haddad, Amor","The aluminoarsenate K~1.8~Sr~0.6~Al~3~(AsO~4~)~4~","Acta Crystallographica Section E","2012","68","5","i29","","10.1107/S1600536812014304","","","0.71073","MoKα","","0.0444","0.0387","","","0.107","0.1118","","","","","","1.089","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2234883","6.883","0.0014","23.029","0.005","13.291","0.003","90","","90","","90","","2106.7","0.8","298","2","298","2","","","","","","","","5","C m c a","-C 2ac 2","64","bis(<i>N</i>-methylacetamide) hydrobromide","(1-Hydroxyethylidene)(methyl)azanium bromide‒<i>N</i>-methylacetamide (1/1)","","- C6 H15 Br N2 O2 -","- C6 H15 Br N2 O2 -","- C48 H120 Br8 N16 O16 -","8","","ZS2188","Wei, Bin","(1-Hydroxyethylidene)(methyl)azanium bromide‒<i>N</i>-methylacetamide (1/1)","Acta Crystallographica Section E","2012","68","5","o1491","","10.1107/S1600536812016984","","","0.71073","MoKα","","0.081","0.0437","","","0.089","0.1007","","","","","","1.064","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2235310","6.7401","0.0008","24.09","0.003","19.254","0.002","90","","90","","90","","3126.3","0.6","296","2","296","2","","","","","","","","4","C m c a","-C 2ac 2","64","","3,4,7,8-Tetramethyl-1,10-phenanthrolin-1-ium nitrate monohydrate","","- C16 H19 N3 O4 -","- C16 H19 N3 O4 -","- C128 H152 N24 O32 -","8","","XU5537","Zhang, Ke-Jie; Zhang, Yan-Fang","3,4,7,8-Tetramethyl-1,10-phenanthrolin-1-ium nitrate monohydrate","Acta Crystallographica Section E","2012","68","6","o1931","o1932","10.1107/S1600536812023318","","","0.71073","MoKα","","0.0712","0.052","","","0.1342","0.1534","","","","","","1.026","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2236534","20.613","0.002","10.5671","0.0009","15.0687","0.0012","90","","90","","90","","3282.3","0.5","293","2","293","2","","","","","","","","5","C m c a","-C 2ac 2","64","","Tetrakis(dimethylammonium) <i>trans</i>-dichloridobis[5,5'-(pyrazine-2,3-diyl)bis(1<i>H</i>-tetrazol- 1-ido-κ<i>N</i>^1^)]copper(II)","","- C20 H36 Cl2 Cu N24 -","- C20 H36 Cl2 Cu N24 -","- C80 H144 Cl8 Cu4 N96 -","4","","PK2440","Liao, Ju-Hsiou; Shi, Pei-Shan","Tetrakis(dimethylammonium) <i>trans</i>-dichloridobis[5,5'-(pyrazine-2,3-diyl)bis(1<i>H</i>-tetrazol-1-ido-κ<i>N</i>^1^)]copper(II)","Acta Crystallographica Section E","2012","68","10","m1234","","10.1107/S1600536812036896","","","0.71073","MoKα","","0.0339","0.0302","","","0.0828","0.0851","","","","","","1.08","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2238537","19.053","0.001","8.0559","0.0005","16.1952","0.0009","90","","90","","90","","2485.8","0.2","293","","293","","","","","","","","","5","C m c a","-C 2ac 2","64","","<i>catena</i>-Poly[[bis(thiocyanato-κ<i>N</i>)iron(II)]-bis(μ-dipyrazin-2-yl disulfide-κ^2^<i>N</i>^4^:<i>N</i>^4'^)]","","- C18 H12 Fe N10 S6 -","- C18 H12 Fe N10 S6 -","- C72 H48 Fe4 N40 S24 -","4","","NR2047","Wöhlert, Susanne; Jess, Inke; Näther, Christian","<i>catena</i>-Poly[[bis(thiocyanato-κ<i>N</i>)iron(II)]-bis(μ-dipyrazin-2-yl disulfide-κ^2^<i>N</i>^4^:<i>N</i>^4'^)]","Acta Crystallographica Section E","2013","69","9","m487","","10.1107/S1600536813021958","","","0.71073","MoKα","","0.0607","0.0505","","","0.1079","0.1127","","","","","","1.152","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2240146","13.5706","0.0006","7.5329","0.0004","8.4303","0.0004","90","","90","","90","","861.8","0.07","293","2","293","2","","","","","","","","3","C m c a","-C 2ac 2","64","DTCDD","1,6-Dithiacyclodeca-<i>cis</i>-3,<i>cis</i>-8-diene","","- C8 H12 S2 -","- C8 H12 S2 -","- C32 H48 S8 -","4","","HB7285","Baughman, Russell G.; Delanty, Molly C.; Ortwerth, Michael F.","Crystal structure of 1,6-dithiacyclodeca-<i>cis</i>-3,<i>cis</i>-8-diene (DTCDD)","Acta Crystallographica Section E","2014","70","11","o1218","","10.1107/S1600536814023319","","","0.71073","MoKα","","0.0487","0.0341","","","0.0848","0.0899","","","","","","1.073","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2310554","10.42","","10.82","","12.78","","90","","90","","90","","1440.87","","","","","","","","","","","","","4","C m c a","-C 2ac 2","64","","(N H4)4 P4 O12","","- H16 N4 O12 P4 -","- H16 N4 O12 P4 -","- H64 N16 O48 P16 -","4","","","Cruickshank, D.W.J.","Refinements of Structures Containing Bonds between Si, P, S or Cl and O or N. IV. (N H4)4 P4 O12","Acta Crystallographica (1,1948-23,1967)","1964","17","","675","676","","","","","","","","","","","","","","","","","","","","","","has coordinates","189063","2020-10-21","18:00:00",""
"2310799","6.29","","4.5","","8.21","","90","","90","","90","","232.384","","","","","","","","","","","","","1","C m c a","-C 2ac 2","64","","","","- Cl2 -","- Cl2 -","- Cl8 -","4","","","Collin, R.L.","The crystal structure of solid chlorine","Acta Crystallographica (1,1948-23,1967)","1952","5","","431","432","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"3000001","7.8266","0.0003","13.5847","0.0005","15.6119","0.0006","90","","90","","90","","1659.89","0.11","293","","293","","","","","","","","","6","C m c a","-C 2ac 2","64","Di-μ-fluoro-bis[aqua-(dimethyl sulfoxide)-trifluorozirconium(IV)]","","","- C4 H16 F8 O4 S2 Zr2 -","- C4 H16 F8 O4 S2 Zr2 -","- C16 H64 F32 O16 S8 Zr8 -","4","","","Youping Gao; Armel Le Bail","Di-mu-fluoro-bis[aqua-(dimethyl sulfoxide)-trifluorozirconium(IV)]","Powder Diffraction","2010","25","","329","","10.1154/1.3499814","powder diffraction","","1.5418","CuKα","","","","","","","","","4.7283","23.6","","","","","","","has coordinates","198633","2020-10-21","18:00:00",""
"3000025","10.493","0.001","20.395","0.004","6.335","0.004","90","","90","","90","","1355.7","0.9","293","2","293","2","","","","","","","","5","C m c a","-C 2ac 2","","","","","- Al3 As4 K1.34 Na1.66 O16 -","","","","","","Alem Bouhassine; Habib Boughzala","The aluminoarsenate Na~1.66~K~1.34~Al~3~(AsO~4~)~4~","To be published in Acta Cryst. Section E","","","","","","","","","0.71073","MoKα","","0.0407","0.0377","","","0.1093","0.1116","","","","","","1.153","","","","","288249","2023-12-12","13:17:39","2014-03-19"
"3000026","10.718","0.003","21.892","0.004","6.473","0.002","90","","90","","90","","1518.8","0.7","293","2","293","2","","","","","","","","5","C m c a","-C 2ac 2","","","","","- As4 Cr3 Cs1.35 Na1.65 O16 -","","","","","","Alem Bouhassine; Habib Boughzala","New arsenate (V) Na~1.65~Cs~1.35~Cr~3~(AsO~4~)~4~","To be published in Acta Cryst. Section E","","","","","","","","","0.71073","MoKα","","0.0615","0.0414","","","0.0976","0.1036","","","","","","1.095","","","","","288249","2023-12-12","13:17:48","2014-03-19"
"4000005","5.9556","0.0004","19.964","0.002","7.0281","0.0005","90","","90","","90","","835.6","0.1","293","2","293","2","","","","","","","","2","C m c a","-C 2ac 2","64","","","","- Sn3 Ti2 -","- Sn3 Ti2 -","- Sn24 Ti16 -","8","","","Kleinke, Holger; Waldeck, Markus; Gütlich, Philipp","Ti~2~Sn~3~: A Novel Binary Intermetallic Phase, Prepared by Chemical Transport at Intermediate Temperature","Chemistry of Materials","2000","12","8","2219","2224","10.1021/cm000131z","","","0.71073","MoKα","","0.0183","0.0116","","0.0256","0.0248","","","","0.785","0.852","0.852","","","","","has coordinates","178361","2020-10-21","18:00:00",""
"4000474","14.086","0.003","20.057","0.004","20.938","0.004","90","","90","","90","","5915","2","193","2","193","2","","","","","","","","6","C m c a","-C 2ac 2","64","","","","- C24 H56 Cl12 N10 Nb6 O2 -","- C24 H50 Cl12 N10 Nb6 O2 -","- C96 H200 Cl48 N40 Nb24 O8 -","4","","","Huajun Zhou; Cynthia S. Day; Abdessadek Lachgar","Assembly of Hybrid Inorganic-Organic Materials from Octahedral Nb6 Clusters and Metal Complexes","Chemistry of Materials","2004","","","","","10.1021/cm049007w","","","0.71073","MoKα","","0.0683","0.0482","","","0.1173","0.127","","","","","","1.106","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001468","36.695","0.001","8.5068","0.0003","8.7454","0.0002","90","","90","","90","","2729.94","0.14","293.2","","","","","","","","","","","6","C m c a","-C 2ac 2","64","","","","- C16 H32 I4 N2 O4 Sn -","- C16 I4 N2 O4 Sn -","- C64 I16 N8 O16 Sn4 -","4","","","Takahashi, Yukari; Obara, Rena; Nakagawa, Kohei; Nakano, Masayuki; Tokita, Jun-ya; Inabe, Tamotsu","Tunable Charge Transport in Soluble Organic‒Inorganic Hybrid Semiconductors","Chemistry of Materials","2007","19","25","6312","","10.1021/cm702405c","","","0.7107","MoKα","","","0.0506","","","","0.1348","","","","","","1.758","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4001518","12.929","","9.112","","33.32","","90","","90","","90","","3925.4","","","","293","","","","","","","","","2","C m c a","-C 2ac 2","64","","","","- Pd16.68 Zn52.32 -","- Pd16.68 Zn52.32 -","- Pd66.72 Zn209.28 -","4","","","Gourdon, Olivier; Miller, Gordon J.","Intergrowth Compounds in the Zn-Rich Zn−Pd System: Toward 1D Quasicrystal Approximants","Chemistry of Materials","2006","18","7","1848","","10.1021/cm0526415","","","0.71069","MoKα","","0.0758","0.0288","","","0.0385","0.0442","","","","1.85","1.85","1.46","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4001619","39.021","0.008","7.343","0.0015","7.3939","0.0015","90","","90","","90","","2118.6","0.7","373","1","373","1","","","","","","","see text","5","C m c a","-C 2ac 2","64","","","","- C16 H24 Cl4 Cu N2 -","- C16 H24 Cl4 Cu N2 -","- C64 H96 Cl16 Cu4 N8 -","4","","","Polyakov, Alexey O.; Arkenbout, Anne H.; Baas, Jacob; Blake, Graeme R.; Meetsma, Auke; Caretta, Antonio; van Loosdrecht, Paul H. M.; Palstra, Thomas T. M.","Coexisting Ferromagnetic and Ferroelectric Order in a CuCl4-based Organic‒Inorganic Hybrid","Chemistry of Materials","2012","24","1","133","","10.1021/cm2023696","","","0.71073","MoKα","","0.0653","0.0544","","","0.1481","0.1597","","","","","","1.119","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4001708","28.751","0.0008","18.0562","0.0004","16.7272","0.0005","90","","90","","90","","8683.7","0.4","293","2","293","2","","","","","","","","7","C m c a","-C 2ac 2","64","","","","- C18 H18 Cu4 I4 N6 O4 Zn -","- C18 H18 Cu4 I4 N6 O4 Zn -","- C144 H144 Cu32 I32 N48 O32 Zn8 -","8","","","Tan, Yan-Xi; He, Yan-Ping; Zhang, Jian","Cluster-Organic Framework Materials as Heterogeneous Catalysts for High Efficient Addition Reaction of Diethylzinc to Aromatic Aldehydes","Chemistry of Materials","2012","24","24","4711","","10.1021/cm302953x","","","0.71073","MoKα","","0.0586","0.0468","","","0.1439","0.1515","","","","","","1.099","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001972","13.581","0.0015","9.9251","0.001","10.0151","0.0008","90","","90","","90","","1350","0.2","293","2","293","2","","","","","","","","3","C m c a","-C 2ac 2","64","","","","- Au3.42 Gd1.33 Mn0.92 -","- Au3.406 Gd1.33333 Mn0.927333 -","- Au40.872 Gd16 Mn11.128 -","12","","","Samal, Saroj L.; Pandey, Abhishek; Johnston, David C.; Corbett, John D.; Miller, Gordon J.","Taking Advantage of Gold’s Electronegativity inR4Mn3‒xAu10+x(R= Gd or Y; 0.2 ≤x≤ 1)","Chemistry of Materials","2014","26","10","3209","","10.1021/cm500871c","","","0.71073","MoKα","","0.0488","0.0326","","","0.0663","0.0734","","","","","","0.996","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001973","13.5713","0.0007","9.9291","0.0004","10.0213","0.0005","90","","90","","90","","1350.38","0.11","293","2","293","2","","","","","","","","3","C m c a","-C 2ac 2","64","","","","- Au3.42 Gd1.33 Mn0.91 -","- Au3.42467 Gd1.33333 Mn0.908667 -","- Au41.096 Gd16 Mn10.904 -","12","","","Samal, Saroj L.; Pandey, Abhishek; Johnston, David C.; Corbett, John D.; Miller, Gordon J.","Taking Advantage of Gold’s Electronegativity inR4Mn3‒xAu10+x(R= Gd or Y; 0.2 ≤x≤ 1)","Chemistry of Materials","2014","26","10","3209","","10.1021/cm500871c","","","0.71073","MoKα","","0.0573","0.0343","","","0.0692","0.0751","","","","","","0.982","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001974","13.5583","0.0019","9.9263","0.0011","10.0519","0.0013","90","","90","","90","","1352.8","0.3","293","2","293","2","","","","","","","","3","C m c a","-C 2ac 2","64","","","","- Au3.54 Gd1.33 Mn0.79 -","- Au3.542 Gd1.33333 Mn0.791333 -","- Au42.504 Gd16 Mn9.496 -","12","","","Samal, Saroj L.; Pandey, Abhishek; Johnston, David C.; Corbett, John D.; Miller, Gordon J.","Taking Advantage of Gold’s Electronegativity inR4Mn3‒xAu10+x(R= Gd or Y; 0.2 ≤x≤ 1)","Chemistry of Materials","2014","26","10","3209","","10.1021/cm500871c","","","0.71073","MoKα","","0.0391","0.0317","","","0.0724","0.0758","","","","","","1.019","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001975","13.5024","0.0009","9.9189","0.0007","10.0646","0.0005","90","","90","","90","","1347.94","0.15","293","2","293","2","","","","","","","","3","C m c a","-C 2ac 2","64","","","","- Au3.67 Gd1.33 Mn0.67 -","- Au3.65867 Gd1.33333 Mn0.674667 -","- Au43.904 Gd16 Mn8.096 -","12","","","Samal, Saroj L.; Pandey, Abhishek; Johnston, David C.; Corbett, John D.; Miller, Gordon J.","Taking Advantage of Gold’s Electronegativity inR4Mn3‒xAu10+x(R= Gd or Y; 0.2 ≤x≤ 1)","Chemistry of Materials","2014","26","10","3209","","10.1021/cm500871c","","","0.71073","MoKα","","0.0577","0.0361","","","0.0638","0.0698","","","","","","1.01","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001976","13.4944","0.0019","9.9103","0.0013","9.9644","0.0013","90","","90","","90","","1332.6","0.3","293","2","293","2","","","","","","","","3","C m c a","-C 2ac 2","64","","","","- Au3.42 Mn0.92 Y1.33 -","- Au3.39867 Mn0.934667 Y1.33333 -","- Au40.784 Mn11.216 Y16 -","12","","","Samal, Saroj L.; Pandey, Abhishek; Johnston, David C.; Corbett, John D.; Miller, Gordon J.","Taking Advantage of Gold’s Electronegativity inR4Mn3‒xAu10+x(R= Gd or Y; 0.2 ≤x≤ 1)","Chemistry of Materials","2014","26","10","3209","","10.1021/cm500871c","","","0.71073","MoKα","","0.0788","0.0517","","","0.104","0.1169","","","","","","1.02","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001977","13.484","0.003","9.908","0.003","9.971","0.003","90","","90","","90","","1332.1","0.6","293","2","293","2","","","","","","","","3","C m c a","-C 2ac 2","64","","","","- Au3.44 Mn0.89 Y1.33 -","- Au3.444 Mn0.889333 Y1.33333 -","- Au41.328 Mn10.672 Y16 -","12","","","Samal, Saroj L.; Pandey, Abhishek; Johnston, David C.; Corbett, John D.; Miller, Gordon J.","Taking Advantage of Gold’s Electronegativity inR4Mn3‒xAu10+x(R= Gd or Y; 0.2 ≤x≤ 1)","Chemistry of Materials","2014","26","10","3209","","10.1021/cm500871c","","","0.71073","MoKα","","0.0853","0.0645","","","0.1351","0.1177","","","","","","1.03","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001978","13.4774","0.0009","9.8922","0.0008","9.9814","0.0007","90","","90","","90","","1330.73","0.17","293","2","293","2","","","","","","","","3","C m c a","-C 2ac 2","64","","","","- Au3.46 Mn0.88 Y1.33 -","- Au3.46267 Mn0.870667 Y1.33333 -","- Au41.552 Mn10.448 Y16 -","12","","","Samal, Saroj L.; Pandey, Abhishek; Johnston, David C.; Corbett, John D.; Miller, Gordon J.","Taking Advantage of Gold’s Electronegativity inR4Mn3‒xAu10+x(R= Gd or Y; 0.2 ≤x≤ 1)","Chemistry of Materials","2014","26","10","3209","","10.1021/cm500871c","","","0.71073","MoKα","","0.0702","0.0489","","","0.1151","0.1271","","","","","","1.007","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4002259","8.605","","4.951","","10.06","","90","","90","","90","","428.59","","","","","","","","","","","","","4","C m c a","-C 2ac 2","64","","Li0.667 (Ni0.333 Mn0.667) O2","","- Li0.667 Mn0.667 Ni0.333 O2 -","- Li0.666667 Mn0.666667 Ni0.333333 O2 -","- Li8 Mn8 Ni4 O24 -","12","","","Paulsen, J.M.; Donaberger, R.A.; Dahn, J.R.","Layered T2-, O6-, O2-, and P2-type A2/3 (M'(2+)1/3 M(4+)2/3) O2 bronzes, A = Li, Na; M' = Ni, Mg; M = Mn, Ti","Chemistry of Materials (1,1989-)","2000","12","","2257","2267","","","","","","","","","","","","","","","","","","","","","","has coordinates","141093","2020-10-21","18:00:00",""
"4002470","5.7071","","13.1856","","19.9273","","90","","90","","90","","1499.56","","","","","","","","","","","","","3","C m c a","-C 2ac 2","64","","Ba6 (Mn5 O16)","","- Ba6 Mn5 O16 -","- Ba6 Mn5 O16 -","- Ba24 Mn20 O64 -","4","","","Boulahya, K.; Parras, M.; Gonzalez-Calbet, J.M.; Martinez, J.L.","Synthesis and structural characterization of Ba6 Mn5 O16: the first layered oxide isostructural to Cs6 Ni5 F16","Chemistry of Materials (1,1989-)","2002","14","","4006","4008","","","","","","","","","","","","","","","","","","","","","","has coordinates","156616","2020-10-21","18:00:00",""
"4029897","6.6745","0.0005","9.0337","0.0005","9.4283","0.0006","90","","90","","90","","568.48","0.06","150","1","150","1","","","","","","","","2","C m c a","-C 2ac 2","64","","","","- C4 N6 -","- C4 N6 -","- C16 N24 -","4","","","Vo, Hoa-Lan; Arthur, Jordan L.; Capdevila-Cortada, Marçal; Lapidus, Saul H.; Stephens, Peter W.; Novoa, Juan J.; Arif, Atta M.; Nagi, Ramneet K.; Bartl, Michael H.; Miller, Joel S.","Structure and Properties of Nitrogen-Rich 1,4-Dicyanotetrazine, C4N6: A Comparative Study with Related Tetracyano Electron Acceptors.","The Journal of organic chemistry","2014","79","17","8189","8201","10.1021/jo5014004","","","0.71073","MoKα","","0.0378","0.0326","","","0.0801","0.0828","","","","","","1.101","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4030349","13.892","0.002","11.286","0.005","11.31","0.004","90","","90","","90","","1773.2","1","","","293","","","","","","","","","3","C m c a","-C 2ac 2","64","","","","- Cl6 Re6 Se6 -","- Cl6.24 Re6 Se5.76 -","- Cl24.96 Re24 Se23.04 -","4","","","Perrin, A.; Leduc, L.; Sergent, M.","Halogen bridged Re6L8 units in octahedral cluster thenium chalcohalides","European Journal of Solid State and Inorganic Chemistry","1991","28","","919","931","","","x-ray","0.71069","MoKα","","","0.065","","","0.085","","","","","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4030439","6.143","0.001","14.576","0.004","13.65","0.003","90","","90","","90","","1222.2","0.5","","","293","","","","","","","","","3","C m c a","-C 2ac 2","64","","","","- Cs4 F10 Mg3 -","- Cs4 F10 Mg3 -","- Cs16 F40 Mg12 -","4","","","Schmidt, R.E.; Pebler, J.; Babel, D.","Structures of cesium containing fluorides, X : crystal structure refinements of the ternary fluorides Cs4M3F10 (M = Mg, Co, Ni, Zn= and magnetism of Cs4Ni3F10","European Journal of Solid State and Inorganic Chemistry","1992","29","","679","690","","","x-ray","0.71069","MoKα","","","0.043","","","0.042","","","","","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4030440","6.158","0.001","14.514","0.001","13.736","0.001","90","","90","","90","","1227.7","0.2","","","293","","","","","","","","","3","C m c a","-C 2ac 2","64","","","","- Cs4 F10 Ni3 -","- Cs4 F10 Ni3 -","- Cs16 F40 Ni12 -","4","","","Schmidt, R.E.; Pebler, J.; Babel, D.","Structures of cesium containing fluorides, X : crystal structure refinements of the ternary fluorides Cs4M3F10 (M = Mg, Co, Ni, Zn= and magnetism of Cs4Ni3F10","European Journal of Solid State and Inorganic Chemistry","1992","29","","679","690","","","x-ray","0.71069","MoKα","","","0.03","","","0.027","","","","","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4030441","6.205","0.001","14.547","0.002","13.827","0.002","90","","90","","90","","1248.1","0.3","","","293","","","","","","","","","3","C m c a","-C 2ac 2","64","","","","- Cs4 F10 Zn3 -","- Cs4 F10 Zn3 -","- Cs16 F40 Zn12 -","4","","","Schmidt, R.E.; Pebler, J.; Babel, D.","Structures of cesium containing fluorides, X : crystal structure refinements of the ternary fluorides Cs4M3F10 (M = Mg, Co, Ni, Zn= and magnetism of Cs4Ni3F10","European Journal of Solid State and Inorganic Chemistry","1992","29","","679","690","","","x-ray","0.71069","MoKα","","","0.029","","","0.026","","","","","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4030442","6.214","0.001","14.513","0.002","13.892","0.001","90","","90","","90","","1252.8","0.3","","","293","","","","","","","","","3","C m c a","-C 2ac 2","64","","","","- Co3 Cs4 F10 -","- Co3 Cs4 F10 -","- Co12 Cs16 F40 -","4","","","Schmidt, R.E.; Pebler, J.; Babel, D.","Structures of cesium containing fluorides, X : crystal structure refinements of the ternary fluorides Cs4M3F10 (M = Mg, Co, Ni, Zn= and magnetism of Cs4Ni3F10","European Journal of Solid State and Inorganic Chemistry","1992","29","","679","690","","","x-ray","0.71069","MoKα","","","0.034","","","0.034","","","","","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4030477","6.62","0.003","28.35","0.008","11.343","0.002","90","","90","","90","","2128.8","1.2","","","178","","","","","","","","","6","C m c a","-C 2ac 2","64","","","","- C8 H9 Au Cl F2 P -","- C8 Au Cl F2 P -","- C64 Au8 Cl8 F16 P8 -","8","","","Lin, Y.; Jones, P.G.; Schmutzler, R.; Sheldrick, G. M.","Preparation and X-ray structures of gold(I) complexes with some fluoro-phosphorus(III) ligands","European Journal of Solid State and Inorganic Chemistry","1992","29","","887","898","","","x-ray","0.71069","MoKα","","","0.036","","","0.046","","","","","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4031524","14.686","","13.422","","19.752","","90","","90","","90","","3893.43","","","","","","","","","","","","","2","C m c a","-C 2ac 2","64","","Cs2 U15 O46","","- Cs1.9998 U15.0002 -","- Cs1.9998 U15.0002 -","- Cs7.9992 U60.0008 -","4","","","van Egmond, A.B.","Investigations on Cesium Uranates - V. The Crystal Structures of (Cs2 U O4), (Cs4 U5 O17), (Cs2 U7 O22) and (Cs2 U15 O46)","Journal of Inorganic and Nuclear Chemistry","1976","38","","1649","1651","","","","","","","","","","","","","","","","","","","","","","has coordinates","158067","2020-10-21","18:00:00",""
"4061213","17.295","0.004","18.001","0.004","22.41","0.005","90","","90","","90","","6977","3","223","2","223","2","","","","","","","","4","C m c a","-C 2ac 2","64","","","","- C38 H54 O2 Ru3 -","- C38 O2 Ru3 -","- C304 O16 Ru24 -","8","","","","","Organometallics","2004","","","","","10.1021/om049237k","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","178509","2020-10-21","18:00:00",""
"4063448","17.02","0.003","18.662","0.003","21.278","0.004","90","","90","","90","","6758","2","93","2","93","2","","","","","","","","5","C m c a","-C 2ac 2","64","","","","- C28 H36 Au Cl7 N2 -","- C28 H34 Au Cl7 N2 -","- C224 H272 Au8 Cl56 N16 -","8","","","Gaillard, Sylvain; Slawin, Alexandra M. Z.; Bonura, Allen T.; Stevens, Edwin D.; Nolan, Steven P.","Synthetic and Structural Studies of [AuCl3(NHC)] Complexes","Organometallics","2010","29","2","394","","10.1021/om900814e","","","0.71073","MoKα","","0.0671","0.052","","","0.1188","0.1267","","","","","","1.107","","","","has coordinates","178529","2020-10-21","18:00:00",""
"4065177","21.0099","0.001","25.8677","0.0016","17.7139","0.0009","90","","90","","90","","9627.1","0.9","100","2","100","2","","","","","","","","5","C m c a","-C 2ac 2","64","","","","- C41 H51.5 Fe I2 N10.5 -","- C41 H51.5 Fe I2 N10.5 -","- C328 H412 Fe8 I16 N84 -","8","","","Zlatogorsky, Sergey; Muryn, Christopher A.; Tuna, Floriana; Evans, David J.; Ingleson, Michael J.","Synthesis, Structures, and Reactivity of Chelating Bis-N-Heterocyclic-Carbene Complexes of Iron(II)","Organometallics","2011","30","18","4974","","10.1021/om200605b","","","0.71073","MoKα","","0.1031","0.0458","","","0.1063","0.121","","","","","","0.895","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4072024","13.659","0.005","11.857","0.005","25.308","0.014","90","","90","","90","","4099","3","293","2","293","2","","","","","","","","3","C m c a","-C 2ac 2","64","","","","- C45 H65 P3 -","- C45 H40 P3 -","- C180 H160 P12 -","4","","","Ionkin, Alex S.; Marshall, William J.; Fish, Brian M.; Marchione, Alexander A.; Howe, Laurie A.; Davidson, Fredric; McEwen, Charles N.","Dual Supermesityl Stabilization: 1-Alkyl-1H-[1,2,4]triphospholes, with Among the Most Planar and Least Sterically Hindered σ3,λ3-Phosphorus Atoms, and Novel C2P3S4Folded Heterocycles†","Organometallics","2008","27","19","5118","","10.1021/om800528g","","","0.71073","MoKα","","0.1368","0.1064","","","0.2951","0.3239","","","","","","1.08","","","","has coordinates,has disorder","178609","2020-10-21","18:00:00",""
"4075940","18.2198","0.0001","17.9121","0.0001","21.1707","0.0001","90","","90","","90","","6909.16","0.06","173","2","173","2","","","","","","","","4","C m c a","-C 2ac 2","64","","","","- C35 H57 N Ru3 -","- C35 H7 N2 Ru3 -","- C280 H56 N16 Ru24 -","8","","","Takao, Toshiro; Kawashima, Takashi; Matsubara, Kouki; Suzuki, Hiroharu","Synthesis and Structure of a Triruthenium Complex Containing a Perpendicularly Coordinatedμ3-η2:η2(⊥)-Nitrile Ligand and Its Protonation To Yield a Perpendicularly Coordinated Iminoacyl Ligand","Organometallics","2005","24","14","3371","","10.1021/om050320x","","","0.71069","MoKα","","0.0596","0.057","","","0.1262","0.1273","","","","","","1.223","","","","has coordinates,has disorder","178648","2020-10-21","18:00:00",""
"4076119","15.2046","0.0004","19.8952","0.0005","20.2595","0.0007","90","","90","","90","","6128.5","0.3","150","2","150","2","","","","","","","","6","C m c a","-C 2ac 2","64","","","","- C30 H44 Cl Fe Ga O2 -","- C30 H45 Cl Fe Ga O2 -","- C240 H360 Cl8 Fe8 Ga8 O16 -","8","","","Bunn, Natalie R.; Aldridge, Simon; Kays, Deborah L.; Coombs, Natalie D.; Day, Joanna K.; Ooi, Li-ling; Coles, Simon J.; Hursthouse, Michael B.","Toward Cationic Gallane- and Indanediyl Complexes: Synthetic Approaches to Three-Coordinate Halogallyl and -indyl Precursors","Organometallics","2005","24","24","5879","","10.1021/om050630f","","","0.71073","MoKα","","0.1121","0.0735","","","0.188","0.2062","","","","","","1.057","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4076120","15.0781","0.0004","20.5262","0.0006","20.4631","0.0008","90","","90","","90","","6333.2","0.4","180","2","180","2","","","","","","","","6","C m c a","-C 2ac 2","64","sa0516","","","- C30 H44 Br Fe In O2 -","- C30 H44 Br Fe In O2 -","- C240 H352 Br8 Fe8 In8 O16 -","8","","","Bunn, Natalie R.; Aldridge, Simon; Kays, Deborah L.; Coombs, Natalie D.; Day, Joanna K.; Ooi, Li-ling; Coles, Simon J.; Hursthouse, Michael B.","Toward Cationic Gallane- and Indanediyl Complexes: Synthetic Approaches to Three-Coordinate Halogallyl and -indyl Precursors","Organometallics","2005","24","24","5879","","10.1021/om050630f","","","0.71073","MoKα","","0.0935","0.0517","","","0.1071","0.1206","","","","","","1.03","","","","has coordinates","178650","2020-10-21","18:00:00",""
"4077180","9.982","0.001","12.998","0.002","23.862","0.003","90","","90","","90","","3096","0.7","193","2","193","2","","","","","","","","5","C m c a","-C 2ac 2","64","","","","- C24 H32 Fe2 Na2 O12 -","- C24 H32 Fe2 Na2 O12 -","- C96 H128 Fe8 Na8 O48 -","4","","","Neumüller, Bernhard; Petz, Wolfgang","Reaction of Fe2(CO)9with Lithium: Preparation and Structures of Compounds with Strong Ion Pairing","Organometallics","2001","20","1","163","","10.1021/om000597r","","","0.71073","MoKα","","0.131","0.0439","","","0.0665","0.0831","","","","","","0.791","","","","has coordinates","178660","2020-10-21","18:00:00",""
"4077967","21.404","0.0003","8.8892","0.0002","14.5045","0.0003","90","","90","","90","","2759.69","0.09","173","2","173","2","","","","","","","","6","C m c a","-C 2ac 2","64","","","","- C26 H34 Cl2 N2 O4 Pt -","- C26 H34 Cl2 N2 O4 Pt -","- C104 H136 Cl8 N8 O16 Pt4 -","4","","","Zeits, Paul D.; Rachiero, Giovanni Pietro; Hampel, Frank; Reibenspies, Joseph H.; Gladysz, John A.","Gyroscope-Like Platinum and Palladium Complexes with Trans-Spanning Bis(pyridine) Ligands","Organometallics","2012","31","7","2854","","10.1021/om201145x","","","0.71073","MoKα","","0.0313","0.0266","","","0.0712","0.0748","","","","","","1.08","","","","has coordinates","178668","2020-10-21","18:00:00",""
"4079215","17.212","0.005","19.886","0.006","21.885","0.007","90","","90","","90","","7491","4","153","2","153","2","","","","","","","","6","C m c a","-C 2ac 2","64","","","","- C39 H54 Al N3 O S -","- C39 H54 Al N3 O S -","- C312 H432 Al8 N24 O8 S8 -","8","","","Yang, Zhi; Hao, Pengfei; Liu, Zhihong; Ma, Xiaoli; Roesky, Herbert W.; Sun, Kening; Li, Jiarong","Reactivity Studies of LAlH2(L = HC(CMeNAr)2, Ar = 2,6-iPr2C6H3) with 2-Aminobenzenethiol, 2-Aminophenol, and 1,4-Dithiane-2,5-diol","Organometallics","2012","31","17","6500","","10.1021/om300577j","","","0.71073","MoKα","","0.0856","0.0775","","","0.1849","0.1915","","","","","","1.001","","","","has coordinates","198632","2020-10-21","18:00:00",""
"4080188","17.5704","0.0019","12.6855","0.0014","22.676","0.003","90","","90","","90","","5054.2","1","150","","150","","","","","","","","","6","C m c a","-C 2ac 2","64","","","","- C36 H88 N4 O6 Si4 U2 -","- C36 H88 N4 O6 Si4 U2 -","- C144 H352 N16 O24 Si16 U8 -","4","","","Hayes, Cassandra E.; Sarazin, Yann; Katz, Michael J.; Carpentier, Jean-François; Leznoff, Daniel B.","Diamido-Ether Actinide Complexes as Initiators for Lactide Ring-Opening Polymerization","Organometallics","2013","32","5","1183","","10.1021/om300993r","","","0.71073","MoKα","","0.1758","0.1157","","0.076","0.0739","0.0729","","","","","","5.4952","","","","has coordinates","178690","2020-10-21","18:00:00",""
"4081236","20.498","0.003","11.969","0.003","21.056","0.004","90","","90","","90","","5165.9","1.8","110","2","110","2","","","","","","","","5","C m c a","-C 2ac 2","64","mls_8_54_1","mls_8_54_1","","- C27 H40 N2 O2 Pt -","- C27 H40 N2 O2 Pt -","- C216 H320 N16 O16 Pt8 -","8","","","Scheuermann, Margaret L.; Luedtke, Avery T.; Hanson, Susan K.; Fekl, Ulrich; Kaminsky, Werner; Goldberg, Karen I.","Reactions of Five-Coordinate Platinum(IV) Complexes with Molecular Oxygen","Organometallics","2013","32","17","4752","","10.1021/om4003363","","","0.71073","MoKα","","0.0192","0.0171","","","0.0384","0.039","","","","","","1.101","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4100952","24.031","0.015","13.01","0.008","17.598","0.011","90","","90","","90","","5502","6","150","2","150","2","","","","","","","","4","C m c a","-C 2ac 2","64","","","","- C28 H84 Cl2 Si16 -","- C28 H84 Cl2 Si16 -","- C112 H336 Cl8 Si64 -","4","","","Li, Lei; Narducci Sarjeant, Amy A.; Vance, Michael A.; Zakharov, Lev. N.; Rheingold, Arnold L.; Solomon, Edward I.; Karlin, Kenneth D.","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4103241","22.998","0.0017","8.563","0.003","16.146","0.005","90","","90","","90","","3179.7","1.5","293","2","293","2","","","","","","","","5","C m c a","-C 2ac 2","64","Zinc 1,3,5-Benzenetriphosphonatehydrate","","","- C6 H3 O13 P3 Zn3 -","- C6 H3 O13 P3 Zn3 -","- C48 H24 O104 P24 Zn24 -","8","","","Jared M. Taylor; Roger K. Mah; Igor L. Moudrakovski; Christopher I. Ratcliffe; Ramanathan Vaidhyanathan; George K. H. Shimizu","Facile Proton Conduction via Ordered Water Molecules in a Phosphonate Metal-Organic Framework","Journal of the American Chemical Society","2010","132","","14055","14057","10.1021/ja107035w","","","0.71073","MoKα","","0.0502","0.0401","","","0.0926","0.0997","","","","","","1.13","","","","has coordinates","178778","2020-10-21","18:00:00",""
"4103242","22.972","0.005","8.571","0.0017","16.148","0.003","90","","90","","90","","3179.4","1.1","173","2","173","2","","","","","","","","5","C m c a","-C 2ac 2","64","Zinc 1,3,5-Benzenetriphosphonate tetrahydrate","","","- C6 H7 O13 P3 Zn3 -","- C6 H3 O13 P3 Zn3 -","- C48 H24 O104 P24 Zn24 -","8","","","Jared M. Taylor; Roger K. Mah; Igor L. Moudrakovski; Christopher I. Ratcliffe; Ramanathan Vaidhyanathan; George K. H. Shimizu","Facile Proton Conduction via Ordered Water Molecules in a Phosphonate Metal-Organic Framework","Journal of the American Chemical Society","2010","132","","14055","14057","10.1021/ja107035w","","","0.71073","MoKα","","0.0406","0.033","","","0.0972","0.102","","","","","","1.168","","","","has coordinates","178778","2020-10-21","18:00:00",""
"4104364","13.5926","0.0005","19.9573","0.0007","19.8663","0.0007","90","","90","","90","","5389.2","0.3","90","2","90","2","","","","","","","","6","C m c a","-C 2ac 2","64","[(pyz)4Cu2(HF)F(F2H)][SbF6]2","","","- C16 H18 Cu2 F16 N8 Sb2 -","- C16 H18 Cu2 F16 N8 Sb2 -","- C128 H144 Cu16 F128 N64 Sb16 -","8","","","Jamie L. Manson; John A. Schlueter; Kylee A. Funk; Heather I. Southerland; Brendan Twamley; Tom Lancaster; Stephen J. Blundell; Peter J. Baker; Francis L. Pratt; John Singleton; Ross D. McDonald; Paul A. Goddard; Pinaki Sengupta; Cristain D. Batista; Letan Ding; Changhoon Lee; Myung-Hwan Whangbo; Isabel Franke; Susan Cox; Chris Baines; Derek Trial","Strong H...F Hydrogen Bonds as Synthons in Polymeric Quantum Magnets: Structural, Magnetic, and Theoretical Characterization of [Cu(HF~2~)(pyrazine)~2~]SbF~6~, [Cu~2~F(HF)HF~2~(pyrazine)~4~](SbF~6~)~2~ and [CuAg(H~3~F~4~)(pyrazine)~5~](SbF~6~)~2~","Journal of the American Chemical Society","2009","131","","6733","6747","10.1021/ja808761d","","","0.71073","MoKα","","0.0275","0.0218","","","0.0537","0.0582","","","","","","1.087","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4104365","13.5893","0.0015","19.974","0.003","19.893","0.003","90","","90","","90","","5399.6","1.3","150","2","150","2","","","","","","","","6","C m c a","-C 2ac 2","64","[(pyz)4Cu2(HF)F(F2H)][SbF6]2","","","- C16 H18 Cu2 F16 N8 Sb2 -","- C16 H18 Cu2 F16 N8 Sb2 -","- C128 H144 Cu16 F128 N64 Sb16 -","8","","","Jamie L. Manson; John A. Schlueter; Kylee A. Funk; Heather I. Southerland; Brendan Twamley; Tom Lancaster; Stephen J. Blundell; Peter J. Baker; Francis L. Pratt; John Singleton; Ross D. McDonald; Paul A. Goddard; Pinaki Sengupta; Cristain D. Batista; Letan Ding; Changhoon Lee; Myung-Hwan Whangbo; Isabel Franke; Susan Cox; Chris Baines; Derek Trial","Strong H...F Hydrogen Bonds as Synthons in Polymeric Quantum Magnets: Structural, Magnetic, and Theoretical Characterization of [Cu(HF~2~)(pyrazine)~2~]SbF~6~, [Cu~2~F(HF)HF~2~(pyrazine)~4~](SbF~6~)~2~ and [CuAg(H~3~F~4~)(pyrazine)~5~](SbF~6~)~2~","Journal of the American Chemical Society","2009","131","","6733","6747","10.1021/ja808761d","","","0.71073","MoKα","","0.0244","0.0233","","","0.071","0.0719","","","","","","1.079","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4104366","13.688","0.002","20.055","0.003","19.976","0.003","90","","90","","90","","5483.7","1.4","298","2","298","2","","","","","","","","6","C m c a","-C 2ac 2","64","[(pyz)4Cu2(HF)F(F2H)][SbF6]2","","","- C16 H18 Cu2 F16 N8 Sb2 -","- C16 H18 Cu2 F16 N8 Sb2 -","- C128 H144 Cu16 F128 N64 Sb16 -","8","","","Jamie L. Manson; John A. Schlueter; Kylee A. Funk; Heather I. Southerland; Brendan Twamley; Tom Lancaster; Stephen J. Blundell; Peter J. Baker; Francis L. Pratt; John Singleton; Ross D. McDonald; Paul A. Goddard; Pinaki Sengupta; Cristain D. Batista; Letan Ding; Changhoon Lee; Myung-Hwan Whangbo; Isabel Franke; Susan Cox; Chris Baines; Derek Trial","Strong H...F Hydrogen Bonds as Synthons in Polymeric Quantum Magnets: Structural, Magnetic, and Theoretical Characterization of [Cu(HF~2~)(pyrazine)~2~]SbF~6~, [Cu~2~F(HF)HF~2~(pyrazine)~4~](SbF~6~)~2~ and [CuAg(H~3~F~4~)(pyrazine)~5~](SbF~6~)~2~","Journal of the American Chemical Society","2009","131","","6733","6747","10.1021/ja808761d","","","0.71073","MoKα","","0.0325","0.0283","","","0.0636","0.0665","","","","","","1.148","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4104838","5.4233","0.0011","10.61","0.002","11.629","0.002","90","","90","","90","","669.1","0.2","200","2","200","2","","","","","","","","3","C m c a","-C 2ac 2","64","","","","- Eu2 N3 Si -","- Eu2 N3 Si -","- Eu16 N24 Si8 -","8","","","Martin Zeuner; Sandro Pagano; Philipp Matthes; Daniel Bichler; Dirk Johrendt; Thomas Harmening; Rainer Pöttgen; Wolfgang Schnick","Mixed Valence Europium Nitridosilicate Eu2SiN3","Journal of the American Chemical Society","2009","131","","11242","11248","10.1021/ja9040237","","","0.71073","MoKα","","0.0167","0.0159","","","0.0318","0.032","","","","","","1.182","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4108266","40.654","0.013","39.94","0.013","28.935","0.009","90","","90","","90","","46982","3","258","2","258","2","","","","","","","","5","C m c a","-C 2ac 2","64","","","","- C398 H518 Cu24 N22 O160 -","- C320 H248 Cu24 O166 -","- C1280 H992 Cu96 O664 -","4","","","Hiroyasu Furukawa; Jaheon Kim; Nathan W. Ockwig; Michael O'Keeffe; Omar M. Yaghi","Control of Vertex Geometry, Structure Dimensionality, Functionality, and Pore Metrics in the Reticular Synthesis of Crystalline Metal-Organic Frameworks and Polyhedra","Journal of the American Chemical Society","2008","130","","11650","11661","10.1021/ja803783c","","","0.71073","MoKα","","0.219","0.0779","","","0.2221","0.2607","","","","","","0.979","","","","has coordinates","178828","2020-10-21","18:00:00",""
"4108613","19.8377","0.0016","6.0562","0.0006","6.057","0.0005","90","","90","","90","","727.69","0.11","150","2","","","","","","","","","","5","C m c a","-C 2ac 2","64","","","","- Ag2 Ba2 O2 Se2 Zn0.953 -","- Ag2 Ba2 O2 Se2 Zn0.952 -","- Ag8 Ba8 O8 Se8 Zn3.808 -","4","","","Sebastian J. C. Herkelrath; Ian Saratovsky; Joke Hadermann; Simon J. Clarke","Fragmentation of an Infinite ZnO2 Square Plane into Discrete [ZnO2]2- Linear Units in the Oxyselenide Ba2ZnO2Ag2Se2","Journal of the American Chemical Society","2008","130","","14426","14427","10.1021/ja8063414","","x-ray","0.71073","MoKα","","","0.0273","","","","0.065","","","","","","1.053","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4109565","6.6488","0.0002","27.2177","0.0005","9.2797","0.0002","90","","90","","90","","1679.3","0.07","295","2","295","2","","","","","","","","4","C m c a","-C 2ac 2","64","","","","- C5 H3 N4 S4 -","- C5 H3 N4 S4 -","- C40 H24 N32 S32 -","8","","","Alicea A. Leitch; Robert W. Reed; Craig M. Robertson; James F. Britten; Xueyang Yu; Richard A. Secco; Richard T. Oakley","An Alternating π-Stacked Bisdithiazolyl Radical Conductor","Journal of the American Chemical Society","2007","129","","7903","7914","10.1021/ja071218p","","","1.54178","CuKα","","0.0447","0.0386","","","0.1105","0.1148","","","","","","1.067","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4110389","22.631","0.004","21.874","0.004","19.345","0.003","90","","90","","90","","9576","3","293","2","293","2","","","","","","","From reaction of cis-[Fe(II)(CN)4(py)2]2- with CO","5","C m c a","-C 2ac 2","64","trans-[(n-Bu)4N]2[Fe(II)(CN)4(CO)py]","bis-tetrabutylammonium trans-iron(II)tetracyanidecarbonylpyradine","","- C42 H77 Fe N7 O -","- C42 H77 Fe N7 O -","- C336 H616 Fe8 N56 O8 -","8","","","Gina M. Chiarella; Doris Y. Melgarejo; Stephen A. Koch","Further Study of the Reaction of Fe2+ with CN-: Synthesis and Characterization of cis and trans[FeII,III(CN)4L2]n- Complexes","Journal of the American Chemical Society","2006","128","","1416","1417","10.1021/ja0571951","","x-ray","0.71073","MoKα","","0.1442","0.0589","","","0.1551","0.1863","","","","","","0.887","","","","has coordinates,has disorder","178874","2020-10-21","18:00:00",""
"4110690","28.2144","0.0015","5.6837","0.0003","5.6898","0.0003","90","","90","","90","","912.43","0.08","150","2","150","2","","","","","","","synthesis as described","5","C m c a","-C 2ac 2","64","Compound X","","","- Cu22.09 Mn4 O8 S16 Sr8 -","- Cu22.088 Mn4 O8 S16 Sr8 -","- Cu22.088 Mn4 O8 S16 Sr8 -","1","","","Zoltán A. Gál; Oliver J. Rutt; Catherine F. Smura; Timothy P. Overton; Nicolas Barrier; Simon J. Clarke; Joke Hadermann","Structural Chemistry and Metamagnetism of an Homologous Series of Layered Manganese Oxysulfides","Journal of the American Chemical Society","2006","128","","8530","8540","10.1021/ja060892o","","x-ray","0.71073","MoKα","","0.0637","0.0359","","","0.076","0.085","","","","","","1.072","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4113694","6.4845","0.0011","5.6366","0.001","27.519","0.005","90","","90","","90","","1005.8","0.3","213","2","213","2","","","","","","","synthesized","4","C m c a","-C 2ac 2","64","trans-3-iodoacrylic acid","trans-3-iodopropenoic acid","","- C3 H3 I O2 -","- C3 H3 I O2 -","- C24 H24 I8 O16 -","8","","","F. Albert Cotton; James P. Donahue; Carlos A. Murillo","Polyunsaturated Dicarboxylate Tethers Connecting Dimolybdenum Redox and Chromophoric Centers: Syntheses, Structures, and Electrochemistry","Journal of the American Chemical Society","2003","125","","5436","5450","10.1021/ja029101i","","","0.71073","MoKα","","0.0255","0.0241","","0.0619","0.0607","","","","1.197","1.2","1.2","","","","","has coordinates","178907","2020-10-21","18:00:00",""
"4115331","10.89","0.007","20.998","0.013","11.754","0.008","90","0.05","90","0.05","90","0.05","2688","3","278","2","278","2","","","","","","","","7","C m c a","-C 2ac 2","64","NiN33.6D2O","bis(hydrotris(1,2,4-triazolyl)borato)nickel(II)- hexakis(deuterium oxide)","","- C12 H14 B2 D12 N18 Ni O6 -","- C12 H14 B2 D12 N18 Ni O6 -","- C48 H56 B8 D48 N72 Ni4 O24 -","4","","","Christoph Janiak; Tobias G. Scharmann; Sax A. Mason","Two-Dimensional Water and Ice Layers: Neutron Diffraction Studies at 278, 263, and 20 K","Journal of the American Chemical Society","2002","124","","14010","14011","10.1021/ja0274608","","neutron","1.3143","neutrons","","0.0766","0.0666","","","0.1534","0.1598","","","","","","1.055","","","","has coordinates,has disorder","178924","2020-10-21","18:00:00",""
"4116383","10.553","0.002","11.361","0.003","12.081","0.003","90","","90","","90","","1448.4","0.6","130","","293","2","","","","","","","","3","C m c a","-C 2ac 2","64","","Trichloroniumhexafluoroantimonate","","- Cl3 F6 Sb -","- Cl3 F6 Sb -","- Cl24 F48 Sb8 -","8","","","Thomas Drews; Wolfram Koch; Konrad Seppelt","The Cl2O2+ Cation: Preparation and Structural Investigation of Cl2O2+SbF6- and Cl2O2+Sb2F11-","Journal of the American Chemical Society","1999","121","","4379","4384","10.1021/ja984474y","","","0.71069","MoKα","","0.022","0.0189","","","0.0461","0.0489","","","","","","1.013","","","","has coordinates","178934","2020-10-21","18:00:00",""
"4119074","15.939","","14.263","","12.974","","90","","90","","90","","2949.48","","","","","","","","","","","","","4","C m c a","-C 2ac 2","64","","Cs Zr6 B I14","","- B Cs I14 Zr6 -","- B Cs I14 Zr6 -","- B4 Cs4 I56 Zr24 -","4","","","Corbett, J.D.; Smith, J.D.","Four zirconium iodide cluster phases centered by boron, aluminum, or silicon","Journal of the American Chemical Society","1986","108","","1927","1934","10.1021/ja00268a034","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4119186","36.529","0.007","17.756","0.004","17.766","0.004","90","","90","","90","","11523","4","173","2","173","2","","","","","","","","5","C m c a","-C 2ac 2","64","","","","- C26 H28 Cl2 N8 O7 -","- C26 H28 Cl2 N8 O7 -","- C416 H448 Cl32 N128 O112 -","16","","","De-Xian Wang; Mei-Xiang Wang","Anion-π Interactions: Generality, Binding Strength, and Structure","Journal of the American Chemical Society","2013","135","","892","897","10.1021/ja310834w","","","0.71073","MoKα","","0.0672","0.0613","","","0.1411","0.1447","","","","","","1.221","","","","has coordinates,has disorder","178962","2020-10-21","18:00:00",""
"4120061","23.744","0.002","16.4508","0.0015","16.9341","0.0016","90","","90","","90","","6614.6","1","90","2","90","2","","","","","","","","5","C m c a","-C 2ac 2","64","","","","- C74 H96 K2 O2 S2 -","- C73.5 H96 K2 O2 S2 -","- C294 H384 K8 O8 S8 -","4","","","Brian D. Rekken; Thomas M. Brown; James C. Fettinger; Felicitas Lips; Heikki M. Tuononen; Rolfe H. Herber; Philip P. Power","Dispersion Forces and Counterintuitive Steric Effects in Main Group Molecules: Heavier Group 14 (Si-Pb) Dichalcogenolate Carbene Analogues with Sub-90° Interligand Bond Angles","Journal of the American Chemical Society","2013","135","","10134","10148","10.1021/ja403802a","","","0.71073","MoKα","","0.066","0.0568","","","0.1498","0.1602","","","","","","1.083","","","","has coordinates,has disorder","178977","2020-10-21","18:00:00",""
"4120375","14.4428","0.0006","38.4816","0.0014","12.1196","0.0004","90","","90","","90","","6735.9","0.4","100","2","99.99","","","","","","","","","6","C m c a","-C 2ac 2","64","","","","- C67 H54 F24 N6 O4 P4 -","- C67 H54 F24 N6 O4 P4 -","- C268 H216 F96 N24 O16 P16 -","4","","","Michal Juríček; Jonathan C. Barnes; Edward J. Dale; Wei-Guang Liu; Nathan L. Strutt; Carson J. Bruns; Nicolaas A. Vermeulen; Kala C. Ghooray; Amy A. Sarjeant; Charlotte L. Stern; Youssry Y. Botros; William A. Goddard; J. Fraser Stoddart","Ex2Box: Interdependent Modes of Binding in a Two-Nanometer-Long Synthetic Receptor","Journal of the American Chemical Society","2013","135","","12736","12746","10.1021/ja4052763","","","1.54178","CuKα","","0.098","0.0791","","","0.2195","0.2394","","","","","","1.079","","","","has coordinates,has disorder","178980","2020-10-21","18:00:00",""
"4120376","14.9134","0.0006","38.0668","0.0017","12.1063","0.0005","90","","90","","90","","6872.8","0.5","100","2","100.01","","","","","","","","","6","C m c a","-C 2ac 2","64","","","","- C70 H54 F24 N6 O4 P4 -","- C70 H54 F24 N6 O4 P4 -","- C280 H216 F96 N24 O16 P16 -","4","","","Michal Juríček; Jonathan C. Barnes; Edward J. Dale; Wei-Guang Liu; Nathan L. Strutt; Carson J. Bruns; Nicolaas A. Vermeulen; Kala C. Ghooray; Amy A. Sarjeant; Charlotte L. Stern; Youssry Y. Botros; William A. Goddard; J. Fraser Stoddart","Ex2Box: Interdependent Modes of Binding in a Two-Nanometer-Long Synthetic Receptor","Journal of the American Chemical Society","2013","135","","12736","12746","10.1021/ja4052763","","","1.54178","CuKα","","0.0732","0.0422","","","0.0994","0.1151","","","","","","1.034","","","","has coordinates,has disorder","178980","2020-10-21","18:00:00",""
"4120434","7.3259","0.0008","21.889","0.002","30.024","0.003","90","","90","","90","","4814.5","0.8","100","2","100","2","","","","","","","","6","C m c a","-C 2ac 2","64","","","","- C16 H23 Cl Cu N7 O6 -","- C16 H23 Cl Cu N7 O6 -","- C128 H184 Cl8 Cu8 N56 O48 -","8","","","Murdock, Christopher R.; McNutt, Nicholas W.; Keffer, David J.; Jenkins, David M.","Rotating phenyl rings as a guest-dependent switch in two-dimensional metal-organic frameworks.","Journal of the American Chemical Society","2014","136","2","671","678","10.1021/ja4088709","","","0.71073","MoKα","","0.1384","0.1288","","","0.3591","0.3659","","","","","","1.182","","","","has coordinates,has disorder","178981","2020-10-21","18:00:00",""
"4121035","12.1491","0.0019","12.284","0.002","12.216","0.002","90","","90","","90","","1823.1","0.5","323","2","323","2","","","","","","","","4","C m c a","-C 2ac 2","64","DMA-Mn-N3-323K","","","- C2 H8 Mn N10 -","- C2 H8 Mn N10 -","- C16 H64 Mn8 N80 -","8","","","Xin-Hua Zhao; Xing-Cai Huang; Shao-Liang Zhang; Dong Shao; Hai-Yan Wei; Xin-Yi Wang","Cation-Dependent Magnetic Ordering and Room-Temperature Bistability in Azido-Bridged Perovskite-Type Compounds","Journal of the American Chemical Society","2013","135","","16006","16009","10.1021/ja407654n","","","0.71073","MoKα","","0.0531","0.0486","","","0.1396","0.1451","","","","","","1.094","","","","has coordinates","179012","2020-10-21","18:00:00",""
"4124142","8.437","0.002","21.875","0.006","16.757","0.004","90","","90","","90","","3092.7","1.3","296","2","296","2","","","","","","","","6","C m c a","-C 2ac 2","64","","","","- C4 H3 Br Cu I N2 -","- C4 H3 Br Cu I N2 -","- C64 H48 Br16 Cu16 I16 N32 -","16","","","Liu, Wei; Fang, Yang; Wei, George Z.; Teat, Simon J.; Xiong, Kecai; Hu, Zhichao; Lustig, William P.; Li, Jing","A Family of Highly Efficient CuI-Based Lighting Phosphors Prepared by a Systematic, Bottom-up Synthetic Approach.","Journal of the American Chemical Society","2015","137","29","9400","9408","10.1021/jacs.5b04840","","","0.71073","MoKα","","0.0305","0.026","","","0.0635","0.0655","","","","","","1.041","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4124440","16.088","","14.409","","13.14","","90","","90","","90","","3046.01","","","","","","","","","","","","","4","C m c a","-C 2ac 2","64","","Cs Zr6 I14 Mn","","- Cs I14 Mn Zr6 -","- Cs I14 Mn Zr6 -","- Cs4 I56 Mn4 Zr24 -","4","","","Hughbanks, T.; Corbett, J.D.; Rosenthal, G.","Encapsulation of the Transition Metals Chromium through Cobalt in Zirconium Cluster Iodides","Journal of the American Chemical Society","1988","110","","1511","1516","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4124441","16.021","","14.38","","13.075","","90","","90","","90","","3012.24","","","","","","","","","","","","","4","C m c a","-C 2ac 2","64","","Cs0.63 Zr6 I14 Fe","","- Cs0.63 Fe I14 Zr6 -","- Cs0.63 Fe I14 Zr6 -","- Cs2.52 Fe4 I56 Zr24 -","4","","","Hughbanks, T.; Rosenthal, G.; Corbett, J.D.","Encapsulation of the transition metals chromium through cobalt in zirconium cluster iodides","Journal of the American Chemical Society","1988","110","","1511","1516","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4124463","15.933","","14.377","","12.952","","90","","90","","90","","2966.9","","","","","","","","","","","","","3","C m c a","-C 2ac 2","64","","Zr6 I14 K","","- I14 K Zr6 -","- I14 K Zr6 -","- I56 K4 Zr24 -","4","","","Smith, J.D.; Corbett, J.D.","A remarkable alkali-metal-centered Zirconium cluster in potassium hexazirconium tetradecaiodide Zr6 I14 K Synthesis and characterization","Journal of the American Chemical Society","1984","106","","4618","4619","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4124464","15.892","","14.288","","12.899","","90","","90","","90","","2928.91","","","","","","","","","","","","","3","C m c a","-C 2ac 2","64","","K.46 Zr6 I14","","- I14 K0.46 Zr6 -","- I14 K0.46 Zr6 -","- I56 K1.84 Zr24 -","4","","","Smith, J.D.; Corbett, J.D.","A remarkable alkali-metal-centered Zirconium cluster in potassium hexazirconium tetradecaiodide Zr6 I14 K Synthesis and characterization","Journal of the American Chemical Society","1984","106","","4618","4619","","","","","","","","","","","","","","","","","","","","","","has coordinates","156001","2020-10-21","18:00:00",""
"4124465","15.997","","14.283","","12.996","","90","","90","","90","","2969.39","","","","","","","","","","","","","4","C m c a","-C 2ac 2","64","","Cs0.3 Zr6 Si I14","","- Cs0.3 I14 Si Zr6 -","- Cs0.3 I14 Si Zr6 -","- Cs1.2 I56 Si4 Zr24 -","4","","","Smith, J.D.; Corbett, J.D.","Four zirconium iodide cluster phases centered by boron, aluminum, or silicon","Journal of the American Chemical Society","1986","108","","1927","1934","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4124466","15.907","","14.284","","12.973","","90","","90","","90","","2947.67","","","","","","","","","","","","","4","C m c a","-C 2ac 2","64","","Cs0.69 Zr6 Al I14","","- Al Cs0.69 I14 Zr6 -","- Al Cs0.69 I14 Zr6 -","- Al4 Cs2.76 I56 Zr24 -","4","","","Smith, J.D.; Corbett, J.D.","Four zirconium iodide cluster phases centered by boron, aluminum, or silicon","Journal of the American Chemical Society","1986","108","","1927","1934","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4302892","18.973","0.002","21.05","0.003","38.715","0.005","90","","90","","90","","15462","3","298","2","298","2","","","","","","","","5","C m c a","-C 2ac 2","64","Tetrabutylammonium hexathiocyanato nickalate(II)","Tetraethylammonium hexathiocyanato nickalate(II)","","- C38 H80 N10 Ni S6 -","- C38 H80 N10 Ni S6 -","- C456 H960 N120 Ni12 S72 -","12","","","T. V. Brinzari; C. Tian; G. J. Halder; J. L. Musfeldt; M.-H. Whangbo; J. A. Schlueter","Color Properties and Structural Phase Transition in Penta- And Hexacoordinate Isothiocyanato Ni(II) Compounds","Inorganic Chemistry","2009","48","","7650","7658","10.1021/ic802120n","","","0.71073","MoKα","","0.1123","0.0589","","","0.1472","0.1721","","","","","","1.178","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4302893","18.7942","0.0012","20.8981","0.0015","38.107","0.003","90","","90","","90","","14967","1.9","150","2","150","2","","","","","","","","5","C m c a","-C 2ac 2","64","Tetrabutylammonium hexathiocyanato nickalate(II)","Tetraethylammonium hexathiocyanato nickalate(II)","","- C38 H80 N10 Ni S6 -","- C38 H80 N10 Ni S6 -","- C456 H960 N120 Ni12 S72 -","12","","","T. V. Brinzari; C. Tian; G. J. Halder; J. L. Musfeldt; M.-H. Whangbo; J. A. Schlueter","Color Properties and Structural Phase Transition in Penta- And Hexacoordinate Isothiocyanato Ni(II) Compounds","Inorganic Chemistry","2009","48","","7650","7658","10.1021/ic802120n","","","0.71073","MoKα","","0.0591","0.0448","","","0.1089","0.1153","","","","","","1.422","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4303370","12.929","0.003","9.112","0.004","33.32","0.007","90","","90","","90","","3925","2","","","","","","","","","","","","2","C m c a","-C 2ac 2","64","","","","- Pd24.3 Zn75.7 -","- Pd0.604615 Zn2.04923 -","- Pd62.88 Zn213.12 -","104","","","Olivier Gourdon; Zunbeltz Izaola; Luis Elcoro; Vaclav Petricek; Gordon J. Miller","Structure Determination of Two Modulated γ-Brass Structures in the Zn-Pd System through a (3 + 1)-Dimensional Space Description","Inorganic Chemistry","2009","48","","9715","9722","10.1021/ic900830y","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4303385","32.583","0.006","18.221","0.003","18.365","0.003","90","","90","","90","","10903","3","173","2","173","2","","","","","","","","6","C m c a","-C 2ac 2","64","","","","- C100 H134 Eu2 N8 Se2 Si4 -","- C100 H10 Eu2 N8 Se2 Si4 -","- C400 H40 Eu8 N32 Se8 Si16 -","4","","","Shuang Yao; Hoi-Shan Chan; Chi-Keung Lam; Hung Kay Lee","Synthesis, Structure, and Reaction Chemistry of Samarium(II), Europium(II), and Ytterbium(II) Complexes of the Unsymmetrical Benzamidinate Ligand [PhC(NSiMe3)(NC6H3Pri2-2,6)]-","Inorganic Chemistry","2009","48","","9936","9946","10.1021/ic901327m","","","0.71073","MoKα","","0.0663","0.0468","","","0.1389","0.1541","","","","","","1.07","","","","has coordinates,has disorder","179071","2020-10-21","18:00:00",""
"4303522","15.246","0.004","7.901","0.0017","7.8976","0.0017","90","","90","","90","","951.3","0.4","293","2","293","2","","","","","","","","3","C m c a","-C 2ac 2","64","","","","- Bi1.59 Gd5 Si2.41 -","- Bi1.586 Gd5 Si2.414 -","- Bi6.344 Gd20 Si9.656 -","4","","","Volodymyr Svitlyk; Branton J. Campbell; Yurij Mozharivskyj","Gd5Si4-xBix Structures: Novel Slab Sequences Achieved by Turning off the Directionality of Nearest-Slab Interactions","Inorganic Chemistry","2009","48","","10364","10370","10.1021/ic901582j","","","0.71073","MoKα","","0.1338","0.0456","","","0.0437","0.0553","","","","","","0.855","","","","has coordinates","179073","2020-10-21","18:00:00",""
"4305671","20.687","0.007","39.282","0.014","12.764","0.004","90","","90","","90","","10372","6","293.1","","","","","","","","","","","6","C m c a","-C 2ac 2","64","","","","- C19.5 H11.5 Cl2 Fe0.5 O4.75 S9 -","- C19.5 H11.5 Cl2 Fe0.5 O4.75 S9 -","- C312 H184 Cl32 Fe8 O76 S144 -","16","","","Tadahiro Koike; Sayo Yokota; Hideki Fujiwara; Toyonari Sugimoto; Satoru Noguchi; Dominique de Caro; Lydie Valade","Fe2OCl62-Salt Formed by Electrochemical Oxidation of Ethylenedioxytetrathiafulvalenoquinone-1,3-dithiolemethide in the Presence of FeCl4- Ion with a Silicon Wafer Electrode","Inorganic Chemistry","2008","47","","7074","7076","10.1021/ic8006487","","","0.7107","MoKα","","","0.061","","","","0.0728","","","","","","1.07","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4307668","34.4639","0.0008","29.939","0.0006","15.0871","0.0004","90","","90","","90","","15567.1","0.6","153","2","","","","","","","","","","6","C m c a","-C 2ac 2","64","","","","- C44 N11 O24.5 Pd2 S6 W3 -","- C44.02 N11 O24.5 Pd2 S6 W3 -","- C352.16 N88 O196 Pd16 S48 W24 -","8","","","Kazuhiro Uehara; Ko Kasai; Noritaka Mizuno","Syntheses and Characterizations of Palladium-Based Molecular Triangle/Square Compounds and Hybrid Composites with Polyoxometalates","Inorganic Chemistry","2007","46","","2563","2570","10.1021/ic062156r","","x-ray","0.71069","MoKα","","","0.0864","","","","0.32","","","","","","0.955","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4307698","3.3164","0.0005","10.484","0.003","4.3793","0.0005","90","","90","","90","","152.26","0.05","","","293","","","","","","","","","1","C m c a","-C 2ac 2","64","","","","- P -","- P -","- P8 -","8","","","Stefan Lange; Peer Schmidt; Tom Nilges","Au3SnP7@Black Phosphorus: An Easy Access to Black Phosphorus","Inorganic Chemistry","2007","46","","4028","4035","10.1021/ic062192q","","","0.71073","MoKα","","0.0187","0.0177","","","0.0454","0.0464","","","","1.16","1.16","1.16","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4308071","15.912","0.003","9.4974","0.0019","17.184","0.003","90","","90","","90","","2596.9","0.8","293","2","293","2","","","","","","","","3","C m c a","-C 2ac 2","64","","","","- Ba2 Ca2 Sn6 -","- Ba2 Ca2 Sn6 -","- Ba16 Ca16 Sn48 -","8","","","Ming-Hui Ge; John D. Corbett","M2Ba2Sn6 (M =Yb, Ca): Metallic Zintl Phases with a Novel Tin Chain Substructure","Inorganic Chemistry","2007","46","","4138","4144","10.1021/ic070042p","","","0.71073","MoKα","","0.0384","0.0285","","","0.0525","0.0549","","","","","","1.027","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4308072","15.871","0.003","9.387","0.0019","17.212","0.003","90","","90","","90","","2564.3","0.8","293","2","293","2","","","","","","","","3","C m c a","-C 2ac 2","64","","","","- Ba2 Sn6 Yb2 -","- Ba2 Sn6 Yb2 -","- Ba16 Sn48 Yb16 -","8","","","Ming-Hui Ge; John D. Corbett","M2Ba2Sn6 (M =Yb, Ca): Metallic Zintl Phases with a Novel Tin Chain Substructure","Inorganic Chemistry","2007","46","","4138","4144","10.1021/ic070042p","","","0.71073","MoKα","","0.0332","0.0307","","","0.077","0.0784","","","","","","1.095","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4308435","21.4274","0.0024","7.4996","0.0008","23.8542","0.0025","90","","90","","90","","3833.3","0.7","173","","173","","","","","","","","","5","C m c a","-C 2ac 2","64","","","","- C12 H5 F12 O7 Zn -","- C12 H5 F12 O7 Zn -","- C96 H40 F96 O56 Zn8 -","8","","","Visintin, Pamela M.; Bessel, Carol A.; White, Peter S.; Schauer, Cynthia K.; DeSimone, Joseph M.","Oxidative Dissolution of Copper and Zinc Metal in Carbon Dioxide with tert-Butyl Peracetate and a β-Diketone Chelating Agent","Inorganic Chemistry","2005","44","2","316","324","10.1021/ic049765o","","","0.71073","MolybdenumKα","","0.085","0.066","","0.128","0.096","","","","","3.47","3.47","","","","","has coordinates","210278","2020-10-21","18:00:00",""
"4308987","10.5729","0.0007","8.0012","0.0007","17.765","0.001","90","","90","","90","","1502.85","0.19","200","","","","","","","","","","Local laboratory","4","C m c a","-C 2ac 2","64","","","","- C3 N3 O Tl -","- C3 N3 O Tl -","- C24 N24 O8 Tl8 -","8","","","Péter Nagy; Andreas Fischer; Julius Glaser; Andrey Ilyukhin; Mikhail Maliarik; Imre Tóth","Solubility, Complex Formation, and Redox Reactions in the Tl2O3-HCN/CN‒H2O System. Crystal Structures of the Cyano Compounds Tl(CN)3.H2O, Na[Tl(CN)4].3H2O, K[Tl(CN)4], and TlI[TlIII(CN)4] and of TlI2C2O4","Inorganic Chemistry","2005","44","","2347","2357","10.1021/ic0485918","","","0.71073","MoKα","","0.0352","0.021","","","0.0318","0.0343","","","","","","1.043","","","","has coordinates","179127","2020-10-21","18:00:00",""
"4309607","19.059","0.009","12.922","0.006","15.609","0.007","90","","90","","90","","3844","3","298","2","298","2","","","","","","","","7","C m c a","-C 2ac 2","64","","","","- C18 H10 Ag F6 N2 O Sb -","- C18 H10 Ag F6 N2 O Sb -","- C144 H80 Ag8 F48 N16 O8 Sb8 -","8","","","Yu-Bin Dong; Qiang Zhang; Le Wang; Jian-Ping Ma; Ru-Qi Huang; Da-Zhong Shen; De-Zhan Chen","Organometallic Coordination Polymers Generated from Bent Bis(acetylenylphenyl)oxadiazole Ligands and Ag(I) Salts","Inorganic Chemistry","2005","44","","6591","6608","10.1021/ic0508223","","","0.71073","MoKα","","0.087","0.0738","","","0.1736","0.1821","","","","","","1.07","","","","has coordinates","179134","2020-10-21","18:00:00",""
"4309608","19.128","0.003","12.6042","0.0018","28.003","0.004","90","","90","","90","","6751.3","1.7","298","2","298","2","","","","","","","","7","C m c a","-C 2ac 2","64","","","","- C18 H10 Ag B F4 N2 O -","- C18 H10 Ag B F4 N2 O -","- C288 H160 Ag16 B16 F64 N32 O16 -","16","","","Yu-Bin Dong; Qiang Zhang; Le Wang; Jian-Ping Ma; Ru-Qi Huang; Da-Zhong Shen; De-Zhan Chen","Organometallic Coordination Polymers Generated from Bent Bis(acetylenylphenyl)oxadiazole Ligands and Ag(I) Salts","Inorganic Chemistry","2005","44","","6591","6608","10.1021/ic0508223","","","0.71073","MoKα","","0.0771","0.0683","","","0.1764","0.1826","","","","","","1.091","","","","has coordinates","179134","2020-10-21","18:00:00",""
"4311195","5.6046","0.0001","11.3605","0.0003","7.5851","0.0002","90","","90","","90","","482.95","0.02","150","2","150","2","","","","","","","synthesis as described","3","C m c a","-C 2ac 2","64","Barium Silicon Nitride","Barium Silicon Nitride","","- Ba N2 Si -","- Ba N2 Si -","- Ba8 N16 Si8 -","8","","","Zoltán A. Gál; Phillip M. Mallinson; Heston J. Orchard; Simon J. Clarke","Synthesis and Structure of Alkaline Earth Silicon Nitrides: BaSiN2, SrSiN2, and CaSiN2","Inorganic Chemistry","2004","43","","3998","4006","10.1021/ic049901p","","x-ray","0.71073","MoKα","","0.0155","0.0138","","","0.0282","0.0286","","","","","","1.078","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4311314","25.6","0.012","10.016","0.004","9.635","0.003","90","","90","","90","","2470.5","1.7","293","2","293","2","","","","","","","","6","C m c a","-C 2ac 2","64","","","","- C2 H12 Mo2 N2 O11 P2 -","- C2 H4 Mo2 N2 O11 P2 -","- C16 H32 Mo16 N16 O88 P16 -","8","","","K. Prabhakara Rao; Vidyavathy Balraj; M. P. Minimol; K. Vidyasagar","Hydrothermal Synthesis and Characterization of New Pillared Layered Ethylenediphosphonates of Molybdenum(VI), A2[Mo2O5(O3PCH2CH2PO3)] (A = NH4, Tl, Cs, Rb) and K(H3O)[Mo2O5(O3PCH2CH2PO3)]","Inorganic Chemistry","2004","43","","4610","4614","10.1021/ic035081p","","","0.71073","MoKα","","0.045","0.0342","","","0.0822","0.09","","","","","","1.156","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4311315","25.625","0.011","10.007","0.002","9.5119","0.0011","90","","90","","90","","2439.1","1.2","293","2","293","2","","","","","","","","6","C m c a","-C 2ac 2","64","","","","- C2 H7 K Mo2 O12 P2 -","- C2 H4 K Mo2 O12 P2 -","- C16 H32 K8 Mo16 O96 P16 -","8","","","K. Prabhakara Rao; Vidyavathy Balraj; M. P. Minimol; K. Vidyasagar","Hydrothermal Synthesis and Characterization of New Pillared Layered Ethylenediphosphonates of Molybdenum(VI), A2[Mo2O5(O3PCH2CH2PO3)] (A = NH4, Tl, Cs, Rb) and K(H3O)[Mo2O5(O3PCH2CH2PO3)]","Inorganic Chemistry","2004","43","","4610","4614","10.1021/ic035081p","","","0.71073","MoKα","","0.045","0.0347","","","0.0811","0.0859","","","","","","1.103","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4312350","22.772","0.005","18.227","0.004","17.728","0.004","90","","90","","90","","7358","3","301","2","301","2","","","","","","","","8","C m c a","-C 2ac 2","64","","","","- C31 H30 Cl2 F6 Ir N7 O P -","- C31 H27.98 Cl2 F6 Ir N7 O P -","- C248 H223.84 Cl16 F48 Ir8 N56 O8 P8 -","8","","","Kenneth Kam-Wing Lo; Chi-Keung Chung; Terence Kwok-Ming Lee; Lok-Hei Lui; Keith Hing-Kit Tsang; Nianyong Zhu","New Luminescent Cyclometalated Iridium(III) Diimine Complexes as Biological Labeling Reagents","Inorganic Chemistry","2003","42","","6886","6897","10.1021/ic0346984","","","0.71073","MoKα","","0.0781","0.0526","","","0.1567","0.1682","","","","","","1.048","","","","has coordinates","179162","2020-10-21","18:00:00",""
"4313317","12.6017","0.001","20.2573","0.0016","12.5048","0.001","90","","90","","90","","3192.2","0.4","293","2","293","2","","","","","","","","5","C m c a","-C 2ac 2","64","","","","- C5 H16 I4 N2 Sn -","- C5 I4 N2 Sn -","- C40 I32 N16 Sn8 -","8","","","Zhengtao Xu; David B. Mitzi; David R. Medeiros","[(CH3)3NCH2CH2NH3]SnI4: A Layered Perovskite with Quaternary/Primary Ammonium Dications and Short Interlayer Iodine-Iodine Contacts","Inorganic Chemistry","2003","42","","1400","1402","10.1021/ic0261981","","","0.71073","MoKα","","0.0461","0.0385","","","0.1097","0.1144","","","","","","1.112","","","","has coordinates","179191","2020-10-21","18:00:00",""
"4314076","46.165","0.003","12.234","0.0008","34.353","0.002","90","","90","","90","","19402","2","96","2","96","2","","","","","","","","6","C m c a","-C 2ac 2","64","","","","- C23.14 H45.43 B0.86 Co0.86 I0.86 P2.57 -","- C23.1429 H45.4286 B0.857143 Co0.857143 I0.857143 P2.57143 -","- C648 H1272 B24 Co24 I24 P72 -","28","","","Theodore A. Betley; Jonas C. Peters","The Strong-Field Tripodal Phosphine Donor, [PhB(CH2PiPr2)3]-, Provides Access to Electronically and Coordinatively Unsaturated Transition Metal Complexes","Inorganic Chemistry","2003","42","","5074","5084","10.1021/ic0343096","","","0.71073","MoKα","","0.1537","0.0602","","","0.1217","0.1436","","","","","","1.367","","","","has coordinates,has disorder","179209","2020-10-21","18:00:00",""
"4315397","19.362","0.005","19.545","0.005","18.653","0.005","90","0.005","90","0.005","90","0.005","7059","3","293","2","293","2","","","","","","","synthesis as described","6","C m c a","-C 2ac 2","64","mk108","","","- C42 H60 Ce2 N26 O17 W2 -","- C42 H60 Ce2 N26 O17 W2 -","- C168 H240 Ce8 N104 O68 W8 -","4","","","Marcin Kozieł; Robert Pełka; Michał Rams; Wojciech Nitek; Barbara Sieklucka","Magnetic Properties versus Network Dimensionality of Cerium(III) Octacyanotungstate(V) Compounds","Inorganic Chemistry","2010","49","","4268","4277","10.1021/ic100158g","","x-ray","0.71069","MoKα","","0.046","0.031","","","0.0713","0.0774","","","","","","1.074","","","","has coordinates","179233","2020-10-21","18:00:00",""
"4315924","16.436","0.005","14.226","0.004","14.866","0.004","90","","90","","90","","3475.9","1.7","291","2","291","2","","","","","","","","6","C m c a","-C 2ac 2","64","","","","- C10 H10 N9 O4 Tb W -","- C10 H10 N9 O4 Tb W -","- C80 H80 N72 O32 Tb8 W8 -","8","","","Hu Zhou; Ai-Hua Yuan; Su-Yan Qian; You Song; Guo-Wang Diao","Efficient Synthetic Strategy to Construct Three-Dimensional 4f-5d Networks Using Neutral Two-Dimensional Layers As Building Blocks","Inorganic Chemistry","2010","49","","5971","5976","10.1021/ic100518b","","","0.71073","MoKα","","0.0385","0.0269","","","0.0656","0.0689","","","","","","1.021","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4318104","26.961","0.005","17.828","0.004","18.911","0.004","90","","90","","90","","9090","3","293","2","293","2","","","","","","","","8","C m c a","-C 2ac 2","64","","","","- C43 H49 B10 Br Mo N2 O3 P2 -","- C43 H50 B10 Br Mo N2 O3 P2 -","- C344 H400 B80 Br8 Mo8 N16 O24 P16 -","8","","","Shaowu Du; Jason A. Kautz; Thomas D. McGrath; F. Gordon A. Stone","Unprecedented Cage-Carbon to Cage-Boron NMe3 Transfer in a Monocarbon Molybdenacarborane","Inorganic Chemistry","2002","41","","3202","3211","10.1021/ic020091w","","","0.71073","MoKα","","0.1114","0.0533","","","0.0931","0.1098","","","","","","1.037","","","","has coordinates,has disorder","288183","2023-12-08","14:42:59",""
"4319915","13.6561","0.0012","15.0387","0.0013","13.4092","0.0012","90","","90","","90","","2753.8","0.4","293","2","293","2","","","","","","","","6","C m c a","-C 2ac 2","64","","","","- C16 H32 Br4 Li2 O10 U -","- C16 Br4 Li2 O10 U -","- C64 Br16 Li8 O40 U4 -","4","","","Janet A. Danis; Mavis R. Lin; Brian L. Scott; Bryan W. Eichhorn; Wolfgang H. Runde","Coordination Trends in Alkali Metal Crown Ether Uranyl Halide Complexes: The Series [A(Crown)]2[UO2X4] Where A = Li, Na, K and X = Cl, Br","Inorganic Chemistry","2001","40","","3389","3394","10.1021/ic0011056","","","0.71073","MoKα","","0.0592","0.0506","","","0.1261","0.1272","","","","","","2.725","","","","has coordinates","179279","2020-10-21","18:00:00",""
"4320811","12.337","0.002","14.531","0.005","15.649","0.002","90","","90","","90","","2805.4","1.1","254","2","254","2","","","","","","","","6","C m c a","-C 2ac 2","64","","","","- C16 H32 Cl4 In2 N6 O4 -","- C16 H32 Cl4 In2 N6 O4 -","- C64 H128 Cl16 In8 N24 O16 -","4","","","Cory Steffek; Jeff McMurran; Brett Pleune; J. Kouvetakis; Thomas E. Concolino; Arnold L. Rheingold","Synthesis of Cl2InN3, Br2InN3, and Related Adducts","Inorganic Chemistry","2000","39","","1615","1617","10.1021/ic990387a","","","0.71073","MoKα","","0.0998","0.051","","","0.1244","0.1515","","","","","","0.844","","","","has coordinates","179311","2020-10-21","18:00:00",""
"4321277","16.664","0.007","13.575","0.006","28.386","0.008","90","","90","","90","","6421","4","293","2","296","2","","","","","","","","7","C m c a","-C 2ac 2","64","","","","- C21 H40 Cr0.5 Fe0.5 N6 O2 S4 -","- C21 Cr0.5 Fe0.5 N6 O2 S4 -","- C168 Cr4 Fe4 N48 O16 S32 -","8","","","Smaïl Triki; Florence Bérézovsky; Jean Sala Pala; Eugenio Coronado; Carlos J. Gómez-García; Juan Modesto Clemente; Amédée Riou; Philippe Molinié","Oxalato-Bridged Dinuclear Complexes of Cr(III) and Fe(III): Synthesis, Structure, and Magnetism of [(C2H5)4N]4[MM'(ox)(NCS)8] with MM' = CrCr, FeFe, and CrFe","Inorganic Chemistry","2000","39","","3771","3776","10.1021/ic990439w","","","0.71073","MoKα","","0.3189","0.0878","","","0.2156","0.3157","","","","","","0.91","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4322017","23.046","0.005","7.508","0.0015","23.808","0.005","90","","90","","90","","4119.5","1.5","293","2","293","2","","","","","","","","6","C m c a","-C 2ac 2","64","","","","- C14 H26 N6 Ni O3 P2 -","- C14 H26 N6 Ni O3 P2 -","- C112 H208 N48 Ni8 O24 P16 -","8","","","Donald J. Darensbourg; Jeffrey B. Robertson; David L. Larkins; Joseph H. Reibenspies","Water-Soluble Organometallic Compounds. 7.1 Further Studies of 1,3,5-Triaza-7-Phosphaadamantane Derivatives of Group 10 Metals, Including Metal Carbonyls and Hydrides","Inorganic Chemistry","1999","38","","2473","2481","10.1021/ic981243j","","","0.71073","MoKα","","0.0752","0.0665","","0.2465","0.2279","","","","1.981","2.01","2.01","","","","","has coordinates","179323","2020-10-21","18:00:00",""
"4322440","19.304","0.003","17.894","0.007","18.773","0.004","90","","90","","90","","6485","3","296.2","","296.2","","","","","","","","","6","C m c a","-C 2ac 2","64","","","","- C44 H80 Cl4 N6 Re6 S8 -","- C44.6 H8 Cl4 N6 Re6 S8 -","- C178.4 H32 Cl16 N24 Re24 S32 -","4","","","Takashi Yoshimura; Keisuke Umakoshi; Yoichi Sasaki; A. Geoffrey Sykes","Synthesis, Structures, and Redox Properties of Octa(μ3-sulfido)hexarhenium(III) Complexes Having Terminal Pyridine Ligands","Inorganic Chemistry","1999","38","","5557","5564","10.1021/ic9907922","","","0.71073","MoKα","","0.0431","0.0431","","","0.0509","0.0509","","","","","","1.047","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4324378","15.1653","0.0009","19.4484","0.0008","22.8356","0.0009","90","","90","","90","","6735.2","0.6","293","2","293","2","","","","","","","","5","C m c a","-C 2ac 2","64","","","","- C60 H58 N26 Ni4 O10 -","- C60 H38 N26 Ni4 O10 -","- C240 H152 N104 Ni16 O40 -","4","","","Guang-Yu An; Cong-Min Ji; Ai-Li Cui; Hui-Zhong Kou","Pyrazine-2-amidoxime Ni(II) Complexes: From Ferromagnetic Cluster to Antiferromagnetic Layer","Inorganic Chemistry","2011","50","","1079","1083","10.1021/ic1022714","","","0.71073","MoKα","","0.0825","0.0565","","","0.1465","0.1599","","","","","","0.939","","","","has coordinates","179346","2020-10-21","18:00:00",""
"4325890","10.527","0.0002","14.5236","0.0003","14.5537","0.0003","90","","90","","90","","2225.11","0.08","293","2","293","2","","","","","","","","3","C m c a","-C 2ac 2","64","","","","- B96 Ni144 Zn12 -","- B90.8 Ni144 Zn12 -","- B90.8 Ni144 Zn12 -","1","","","Zahida P. Malik; Oksana Sologub; Andriy Grytsiv; Gerald Giester; Peter F. Rogl","Crystal Structure of Novel Ni-Zn Borides: First Observation of a Boron-Metal Nested Cage Unit: B20Ni6","Inorganic Chemistry","2011","50","","7669","7675","10.1021/ic2007167","","","0.71073","MoKα","","0.0561","0.0287","","","0.0483","0.0535","","","","","","1.037","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4326683","15.056","0.002","7.7491","0.0011","7.7547","0.0011","90","","90","","90","","904.7","0.2","293","2","293","2","","","","","","","","3","C m c a","-C 2ac 2","64","","","","- Au2 Lu5 Te2 -","- Au2 Lu5 Te2 -","- Au8 Lu20 Te8 -","4","","","Ping Chai; John D. Corbett","Synthesis, Structure, and Bonding of orthorhombic R5Au2Te2 (R = Lu, Ho, Dy, Y). Electronic Structure of the Binary Parent Valence Compound Eu5As4","Inorganic Chemistry","2011","50","","10949","10955","10.1021/ic201492z","","","0.71073","MoKα","","0.0248","0.0224","","","0.0529","0.054","","","","","","1.08","","","","has coordinates","179369","2020-10-21","18:00:00",""
"4326919","28.6556","0.0014","18.2788","0.0009","13.6636","0.0007","90","","90","","90","","7156.9","0.6","294","2","294","2","","","","","","","","6","C m c a","-C 2ac 2","64","","","","- C80 H59.84 N4 O21.92 S2 Zn2 -","- C80 H52 N4 O21.92 S2 Zn2 -","- C320 H208 N16 O87.68 S8 Zn8 -","4","","","Daniel L. Reger; Agota Debreczeni; Mark D. Smith","Zinc Paddlewheel Dimers Containing a Strong π...π Stacking Supramolecular Synthon: Designed Single-Crystal to Single-Crystal Phase Changes and Gas/Solid Guest Exchange","Inorganic Chemistry","2011","50","","11754","11764","10.1021/ic201830h","","","0.71073","MoKα","","0.0587","0.0468","","","0.1393","0.148","","","","","","1.039","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4326920","28.488","0.002","18.4743","0.0013","14.0764","0.001","90","","90","","90","","7408.4","0.9","295","2","295","2","","","","","","","","7","C m c a","-C 2ac 2","64","","","","- C82 H56 Cl4 N4 O18 S2 Zn2 -","- C82 H56 Cl4 N4 O18 S2 Zn2 -","- C328 H224 Cl16 N16 O72 S8 Zn8 -","4","","","Daniel L. Reger; Agota Debreczeni; Mark D. Smith","Zinc Paddlewheel Dimers Containing a Strong π...π Stacking Supramolecular Synthon: Designed Single-Crystal to Single-Crystal Phase Changes and Gas/Solid Guest Exchange","Inorganic Chemistry","2011","50","","11754","11764","10.1021/ic201830h","","","0.71073","MoKα","","0.06","0.0529","","","0.1468","0.1548","","","","","","1.048","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4326923","28.538","0.003","18.3527","0.0017","13.7243","0.0013","90","","90","","90","","7188.1","1.2","294","2","294","2","","","","","","","","6","C m c a","-C 2ac 2","64","","","","- C80 H56.67 N4 O20.34 S2 Zn2 -","- C80 H54 N4 O20.336 S2 Zn2 -","- C320 H216 N16 O81.344 S8 Zn8 -","4","","","Daniel L. Reger; Agota Debreczeni; Mark D. Smith","Zinc Paddlewheel Dimers Containing a Strong π...π Stacking Supramolecular Synthon: Designed Single-Crystal to Single-Crystal Phase Changes and Gas/Solid Guest Exchange","Inorganic Chemistry","2011","50","","11754","11764","10.1021/ic201830h","","","0.71073","MoKα","","0.0621","0.0472","","","0.1378","0.146","","","","","","1.039","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4327461","13.543","0.005","16.054","0.006","15.631","0.009","90","","90","","90","","3398","3","295","","295","","","","","","","","?","6","C m c a","-C 2ac 2","64","","ter(trans diaqua cobalt(II) ) di(octacyanotungstate(V) )","","- C16 H20 Co3 N16 O10 W2 -","- C16 Co3 N16 O10 W2 -","- C64 Co12 N64 O40 W8 -","4","","","Juan Manuel Herrera; Anne Bleuzen; Yves Dromzée; Miguel Julve; Francesc Lloret; Michel Verdaguer","Crystal Structures and Magnetic Properties of Two Octacyanotungstate(IV) and (V)-Cobalt(II) Three-Dimensional Bimetallic Frameworks","Inorganic Chemistry","2003","42","","7052","7059","10.1021/ic034188+","","","0.71069","MoKα","","","0.0328","","","0.0321","","","","","1.0799","1.0799","","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4328397","22.372","0.0013","9.3145","0.0007","28.869","0.003","90","","90","","90","","6015.8","0.8","173","2","173","2","","","","","","","","5","C m c a","-C 2ac 2","64","LGe-(2-thienyl)","","","- C33 H44 Ge N2 S -","- C33 H44 Ge N2 S -","- C264 H352 Ge8 N16 S8 -","8","","","Ying Yang; Na Zhao; Yile Wu; Hongping Zhu; Herbert W. Roesky","Synthesis and Characterization of β-Diketiminate Germanium(II) Compounds","Inorganic Chemistry","2012","51","","2425","2431","10.1021/ic202388d","","","0.71073","MoKα","","0.1205","0.0895","","","0.1778","0.1924","","","","","","1.08","","","","has coordinates,has disorder","179386","2020-10-21","18:00:00",""
"4328455","16.739","0.003","32.5","0.007","10.328","0.002","90","","90","","90","","5618.6","1.9","290","2","290","2","","","","","","","","5","C m c a","-C 2ac 2","64","","","","- C19 H44 B11 N O2 -","- C19 H44 B11 N O2 -","- C152 H352 B88 N8 O16 -","8","","","Alexander Himmelspach; Guido J. Reiß; Maik Finze","Microwave-Assisted Kumada-Type Cross-Coupling Reactions of Iodinated Carba-closo-dodecaborate Anions","Inorganic Chemistry","2012","51","","2679","2688","10.1021/ic202638k","","","0.71073","MoKα","","0.0906","0.073","","","0.1418","0.1456","","","","","","1.915","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4328906","15.228","0.004","13.357","0.003","18.777","0.005","90","","90","","90","","3819.2","1.7","293","2","293","2","","","","","","","","3","C m c a","-C 2ac 2","64","","","","- Cs Lu7 S11 -","- Cs Lu7 S11 -","- Cs8 Lu56 S88 -","8","","","Hua Lin; Long-Hua Li; Ling Chen","Diverse Closed Cavities in Condensed Rare Earth Metal-Chalcogenide Matrixes: Cs[Lu7Q11] and (ClCs6)[RE21Q34] (RE = Dy, Ho; Q = S, Se, Te)","Inorganic Chemistry","2012","51","","4588","4596","10.1021/ic202494w","","","0.71073","MoKα","","0.0456","0.0381","","","0.0982","0.1174","","","","","","1.157","","","","has coordinates","179392","2020-10-21","18:00:00",""
"4328907","15.849","0.007","13.858","0.006","19.509","0.008","90","","90","","90","","4285","3","293","2","293","2","","","","","","","","3","C m c a","-C 2ac 2","64","","","","- Cs Lu7 Se11 -","- Cs Lu7 Se11 -","- Cs8 Lu56 Se88 -","8","","","Hua Lin; Long-Hua Li; Ling Chen","Diverse Closed Cavities in Condensed Rare Earth Metal-Chalcogenide Matrixes: Cs[Lu7Q11] and (ClCs6)[RE21Q34] (RE = Dy, Ho; Q = S, Se, Te)","Inorganic Chemistry","2012","51","","4588","4596","10.1021/ic202494w","","","0.71073","MoKα","","0.0557","0.0424","","","0.0876","0.0972","","","","","","1.058","","","","has coordinates","179392","2020-10-21","18:00:00",""
"4329611","13.872","0.003","13.658","0.003","7.5695","0.0015","90","","90","","90","","1434.1","0.5","298","2","298","2","","","","","","","","4","C m c a","-C 2ac 2","64","C4 N6 O10 U3 H4","","","- C4 N6 O10 U3 -","- C4 N6 O10 U3 -","- C16 N24 O40 U12 -","4","","","Zhehui Weng; Shuao Wang; Jie Ling; Jessica M. Morrison; Peter C. Burns","(UO2)2[UO4(trz)2](OH)2: A U(VI) Coordination Intermediate between a Tetraoxido Core and a Uranyl Ion with Cation-Cation Interactions","Inorganic Chemistry","2012","51","","7185","7191","10.1021/ic300240s","","","0.71073","MoKα","","0.0273","0.0178","","","0.0422","0.0453","","","","","","1.052","","","","has coordinates","179399","2020-10-21","18:00:00",""
"4330766","22.682","0.003","7.0298","0.0003","10.4274","0.0006","90","","90","","90","","1662.6","0.3","125","2","125","2","","","","","","","synthesis as described","4","C m c a","-C 2ac 2","64","","","","- C6 H10 Co O5 -","- C6 H10 Co O5 -","- C48 H80 Co8 O40 -","8","","","Paul J. Saines; Mark Steinmann; Jin-Chong Tan; Hamish H.-M. Yeung; Wei Li; Phillip T. Barton; Anthony K. Cheetham","Isomer-Directed Structural Diversity and Its Effect on the Nanosheet Exfoliation and Magnetic Properties of 2,3-Dimethylsuccinate Hybrid Frameworks","Inorganic Chemistry","2012","51","","11198","11209","10.1021/ic302011x","","x-ray","0.71073","MoKα","","0.0666","0.0445","","","0.1121","0.1275","","","","","","1.018","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4331486","38.302","0.0019","9.077","0.0005","19.4421","0.0001","90","","90","","90","","6759.4","0.5","293","2","293","2","","","","","","","","4","C m c a","-C 2ac 2","64","Cs4Pb4Ge5S16","","","- Cs4 Ge5 Pb4 S16 -","- Cs4 Ge5 Pb4 S16 -","- Cs32 Ge40 Pb32 S128 -","8","","","Palchik, Oleg; Marking, Gregory M.; Kanatzidis, Mercouri G.","Exploratory Synthesis in Molten Salts: Role of Flux Basicity in the Stabilization of the Complex Thiogermanates Cs4Pb4Ge5S16, K2PbGe2S6, and K4Sn3Ge3S14","Inorganic Chemistry","2005","44","12","4151","4153","10.1021/ic050087v","","","0.71073","MoKα","","0.0416","0.0249","","","0.0584","0.0636","","","","","","1.041","","","","has coordinates","179417","2020-10-21","18:00:00",""
"4331919","23.6315","0.0014","15.8862","0.0014","13.9518","0.001","90","","90","","90","","5237.7","0.7","100","2","293","2","","","","","","","","4","C m c a","-C 2ac 2","64","H3.87 Na0.67 O4 U0.40","Na5[(UO2)3(O2)4(OH)3](H2O)13","","- H3.87 Na0.67 O4 U0.4 -","- Na0.666667 O4 U0.4 -","- Na40 O240 U24 -","60","","","Kubatko, Karrie-Ann; Burns, Peter C.","Expanding the Crystal Chemistry of Actinyl Peroxides: Open Sheets of Uranyl Polyhedra in Na5[(UO2)3(O2)4(OH)3](H2O)13","Inorganic Chemistry","2006","45","16","6096","6098","10.1021/ic0518677","","","0.71073","MoKα","","0.1264","0.0547","","","0.1233","0.1515","","","","","","0.755","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4332865","12.8907","0.0015","29.65","0.004","10.7008","0.0013","90","","90","","90","","4089.9","0.9","173","2","173","2","","","","","","","","5","C m c a","-C 2ac 2","64","","","","- C6 H18 Cu4 I4 S3 -","- C6 H18 Cu4 I4 S3 -","- C48 H144 Cu32 I32 S24 -","8","","","Zhou, Jian; Bian, Guo-Qing; Dai, Jie; Zhang, Yong; Zhu, Qin-Yu; Lu, Wen","Luminescent 2-D Double-layered Polymer, [(CuI)4(CH3SCH3)3]∞, Containing Helical Chains Constructed by Flower-Basket-Shaped Cu4I4Clusters","Inorganic Chemistry","2006","45","21","8486","8488","10.1021/ic060972t","","","0.7107","MoKα","","0.0242","0.024","","","0.0622","0.0623","","","","","","1.146","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4333900","22.93317","0.00021","17.800426","0.000057","5.73241","0.000058","90","","90","","90","","2340.09","0.03","","","","","","","","","","","","4","C m c a","-C 2ac 2","64","","","","- La2 O2 Se2 Zn -","- La2 O2 Se2 Zn -","- La32 O32 Se32 Zn16 -","16","","","Andrew J. Tuxworth; Emma E. McCabe; David G. Free; Stewart J. Clark; John S. O. Evans","Structural Characterization and Physical Properties of the New Transition Metal Oxyselenide La2O2ZnSe2","Inorganic Chemistry","2013","52","","2078","2085","10.1021/ic302484x","","","","","","","","","","","","","","","","","","","","","has coordinates","179442","2020-10-21","18:00:00",""
"4334105","6.6796","0.0013","13.257","0.003","33.744","0.007","90","","90","","90","","2988.1","1.1","298","2","298","2","","","","","","","","7","C m c a","-C 2ac 2","64","","","","- C11 H8 Br2 Cl Hg N3 O -","- C11 H8 Br2 Cl Hg N3 O -","- C88 H64 Br16 Cl8 Hg8 N24 O8 -","8","","","Hamid Reza Khavasi; Alireza Azhdari Tehrani","Influence of Halogen Bonding Interaction on Supramolecular Assembly of Coordination Compounds; Head-to-Tail N...X Synthon Repetitivity","Inorganic Chemistry","2013","52","","2891","2905","10.1021/ic3021113","","","0.71073","MoKα","","0.065","0.0588","","","0.1411","0.1458","","","","","","1.173","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4334584","11.513327","0.000035","10.221145","0.000031","9.42511","0.000029","90","","90","","90","","1109.14","0.006","","","","","","","","","","","","4","C m c a","-C 2ac 2","64","","","BaFe9LiO15","- Ba Fe9 Li O15 -","- Ba Fe8.6168 Li1.3832 O15 -","- Ba4 Fe34.4672 Li5.5328 O60 -","4","","","Tao Yang; Aziz Daoud-Aladine; Michael F. Thomas; John B. Claridge; Matthew J. Rosseinsky","BaFe9LiO15: A New Layered Antiferromagnetic Ferrite","Inorganic Chemistry","2013","52","","4866","4872","10.1021/ic302433a","","","","","","","","","","","","","","","","","","","","","has coordinates","179448","2020-10-21","18:00:00",""
"4335407","9.382","0.0004","7.878","0.0008","19.202","0.0015","90","","90","","90","","1419.25","0.19","173","2","173","2","","","","","","","","4","C m c a","-C 2ac 2","64","","","","- C9 H20 P2 S3 -","- C9 H20 P2 S3 -","- C36 H80 P8 S12 -","4","","","Philip J. W. Elder; Tristram Chivers","Chalcogenation of the 1,4-C2P4 Ring: Oxidation, Isomerization, Insertion, and Ring Contraction","Inorganic Chemistry","2013","52","","7791","7804","10.1021/ic401002b","","","0.71073","MoKα","","0.05","0.0455","","","0.1312","0.1351","","","","","","1.348","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4335888","7.1789","0.0001","18.0925","0.0002","12.6972","0.0002","90","","90","","90","","1649.17","0.04","298","0.2","298","0.2","","","","","","","","5","C m c a","-C 2ac 2","64","","","","- Ga2 H3 O14 Rb3 Se4 -","- Ga2 O14 Rb3 Se4 -","- Ga8 O56 Rb12 Se16 -","4","","","Dong Woo Lee; Kang Min Ok","New Selenites: Hydrothermal Syntheses, Crystal Structures, and Characterization of Rb3HGa2(OH)2(SeO3)4, Rb3Ga5(SeO3)8(HSeO3)2.0.5H2O, and RbGa(SeO3)2.H2O","Inorganic Chemistry","2013","52","","10080","10086","10.1021/ic4013894","","","0.71073","MoKα","","0.0358","0.031","","","0.0839","0.0856","","","","","","1.068","","","","has coordinates","179461","2020-10-21","18:00:00",""
"4336584","12.885","0.0012","12.9141","0.0013","27.207","0.002","90","","90","","90","","4527.2","0.7","296","2","296","2","","","","","","","","7","C m c a","-C 2ac 2","64","","","","- C20 H23 Cl Co F6 N2 P -","- C20 H23 Cl Co F6 N2 P -","- C160 H184 Cl8 Co8 F48 N16 P8 -","8","","","Yosra M. Badiei; Wan-Hui Wang; Jonathan F. Hull; David J. Szalda; James T. Muckerman; Yuichiro Himeda; Etsuko Fujita","Cp*Co(III) Catalysts with Proton-Responsive Ligands for Carbon Dioxide Hydrogenation in Aqueous Media","Inorganic Chemistry","2013","52","","12576","12586","10.1021/ic401707u","","","0.71073","MoKα","","0.1368","0.0665","","","0.1677","0.1898","","","","","","1.046","","","","has coordinates","179468","2020-10-21","18:00:00",""
"4336643","28.352","0.019","11.116","0.007","16.513","0.011","90","","90","","90","","5204","6","296","2","296","2","","","","","","","","4","C m c a","-C 2ac 2","64","","","","- Cl1.25 Ge0.5 O3.25 Pb2.88 -","- Cl1.25 Ge0.5 O3.25 Pb2.875 -","- Cl40 Ge16 O104 Pb92 -","32","","","Oleg I. Siidra; Diana O. Zinyakhina; Anastasiya I. Zadoya; Sergey V. Krivovichev; Rick W. Turner","Synthesis and Modular Structural Architectures of Mineralogically Inspired Novel Complex Pb Oxyhalides","Inorganic Chemistry","2013","52","","12799","12805","10.1021/ic402066h","","","0.71073","MoKα","","0.096","0.0504","","","0.1122","0.1338","","","","","","0.99","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4336986","20.38","0.007","11.21","0.003","10.697","0.003","90","","90","","90","","2443.8","1.3","100","2","100","2","","","","","","","","6","C m c a","-C 2ac 2","64","","","","- C12 H6 Cu F24 K2 O8 -","- C12 H6 Cu F24 K2 O8 -","- C48 H24 Cu4 F96 K8 O32 -","4","","","Laleh Tahsini; Sarah E. Specht; June S. Lum; Joshua J. M. Nelson; Alexandra F. Long; James A. Golen; Arnold L. Rheingold; Linda H. Doerrer","Structural and Electronic Properties of Old and New A2[M(pinF)2] Complexes","Inorganic Chemistry","2013","52","","14050","14063","10.1021/ic401837y","","","0.71073","MoKα","","0.0426","0.041","","","0.1084","0.1102","","","","","","1.07","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4339495","13.729","0.004","10.05","0.003","10.16","0.003","90","","90","","90","","1401.8","0.7","273","2","273","2","","","","","","","","3","C m c a","-C 2ac 2","64","","","","- Au10 Ca4 In3 -","- Au10 Ca4 In3 -","- Au40 Ca16 In12 -","4","","","Lin, Qisheng; Corbett, John D.","Ca4Au10In3: synthesis, structure, and bonding analysis. The chemical and electronic transformations from the isotypic Zr7Ni10 intermetallic.","Inorganic chemistry","2007","46","21","8722","8727","10.1021/ic700995e","","x-ray","0.71073","MoKα","","0.0389","0.0349","","","0.0829","0.0845","","","","","","1.124","","","","has coordinates","179497","2020-10-21","18:00:00",""
"4339983","5.3833","0.0004","9.5535","0.0006","7.1233","0.0005","90","","90","","90","","366.35","0.04","293","","293","","","","","","","","","3","C m c a","-C 2ac 2","64","","","","- Co2.53 Gd2 Si0.47 -","- Co2.53 Gd2 Si0.47 -","- Co10.12 Gd8 Si1.88 -","4","","","Tencé, Sophie; Caballero Flores, Rafael; Chable, Johann; Gorsse, Stéphane; Chevalier, Bernard; Gaudin, Etienne","Stabilization by Si Substitution of the Pseudobinary Compound Gd2(Co3-xSix) with Magnetocaloric Properties around Room Temperature.","Inorganic chemistry","2014","53","13","6728","6736","10.1021/ic500529b","","x-ray","0.71069","MoKα","","0.0282","0.026","","","0.0507","0.052","","","","1.1","1.1","1.09","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4340723","7.584","0.006","24.83","0.02","19.52","0.013","90","","90","","90","","3676","5","343","2","343","2","","","","","","","","5","C m c a","-C 2ac 2","64","","","","- C20 H48 Cd3 Cl10 N4 -","- C20 H48 Cd3 Cl10 N4 -","- C80 H192 Cd12 Cl40 N16 -","4","","","Liao, Wei-Qiang; Mei, Guang-Quan; Ye, Heng-Yun; Mei, Ying-Xuan; Zhang, Yi","Structural Phase Transitions of a Layered Organic-Inorganic Hybrid Compound: Tetra(cyclopentylammonium) Decachlorotricadmate(II), [C5H9NH3]4Cd3Cl10.","Inorganic chemistry","2014","53","17","8913","8918","10.1021/ic500554z","","","0.71073","MoKα","","0.0674","0.0499","","","0.1468","0.1665","","","","","","1.118","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4340829","15.543","0.003","12.222","0.002","11.3826","0.0018","90","","90","","90","","2162.3","0.6","195","2","195","2","","","","","","","","5","C m c a","-C 2ac 2","64","","trans-Bis(trimethylphosphine)bis(but-2-ene-2,3-dithiolato) platinum(IV)","","- C14 H30 P2 Pt S4 -","- C14 H30 P2 Pt S4 -","- C56 H120 P8 Pt4 S16 -","4","","","Chandrasekaran, P.; Greene, Angelique F.; Lillich, Karen; Capone, Stephen; Mague, Joel T.; DeBeer, Serena; Donahue, James P.","A Structural and Spectroscopic Investigation of Octahedral Platinum Bis(dithiolene)phosphine Complexes: Platinum Dithiolene Internal Redox Chemistry Induced by Phosphine Association.","Inorganic chemistry","2014","53","17","9192","9205","10.1021/ic501273b","","","0.71073","MoKα","","0.0203","0.0178","","","0.0442","0.0459","","","","","","1.076","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4341482","23.7317","0.0015","17.1337","0.0007","27.681","0.002","90","","90","","90","","11255.4","1.2","150","2","150","2","","","","","","","","5","C m c a","-C 2ac 2","64","","","","- C45 H30 N12 O9 Re3 -","- C45 H30 N12 O9 Re3 -","- C360 H240 N96 O72 Re24 -","8","","","Shankar, Bhaskaran; Elumalai, Palani; Deval Sathiyashivan, Shankar; Sathiyendiran, Malaichamy","Spheroid metallocavitands with eight calixarene-shaped receptors on the surface.","Inorganic chemistry","2014","53","19","10018","10020","10.1021/ic5014895","","","0.71073","MoKα","","0.1588","0.1131","","","0.2525","0.2637","","","","","","1.225","","","","has coordinates","179517","2020-10-21","18:00:00",""
"4341840","19.8487","0.0009","17.7022","0.0009","27.7928","0.0013","90","","90","","90","","9765.4","0.8","100","0.2","100","0.2","","","","","","","","6","C m c a","-C 2ac 2","64","","","","- C12 H90.8 Na10 O76.4 Ru2 Ta12 -","- C12 H12 Na10 O76.4 Ru2 Ta12 -","- C48 H48 Na40 O305.6 Ru8 Ta48 -","4","","","Abramov, P. A.; Sokolov, M. N.; Floquet, S.; Haouas, M.; Taulelle, F.; Cadot, E.; Peresypkina, E. V.; Virovets, A. V.; Vicent, C.; Kompankov, N. B.; Zhdanov, A. A.; Shuvaeva, O. V.; Fedin, V. P.","Coordination-Induced Condensation of [Ta6O19](8-): Synthesis and Structure of [{(C6H6)Ru}2Ta6O19](4-) and [{(C6H6)RuTa6O18}2(μ-O)](10-)","Inorganic chemistry","2014","","","141203085652001","","10.1021/ic501622t","","","0.71073","MoKα","","0.0855","0.0593","","","0.1274","0.136","","","","","","1.164","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4342981","18.323","0.003","16.883","0.003","15.291","0.002","90","","90","","90","","4730.2","1.3","140","2","140","2","","","","","","","","6","C m c a","-C 2ac 2","64","","","","- C46 H62 F12 Fe N4 O4 -","- C46 H62 F12 Fe N4 O4 -","- C184 H248 F48 Fe4 N16 O16 -","4","","","Liu, Yuesheng; Luo, Lun; Xiao, Jie; Wang, Lei; Song, You; Qu, Jingping; Luo, Yi; Deng, Liang","Four-Coordinate Iron(II) Diaryl Compounds with Monodentate N-Heterocyclic Carbene Ligation: Synthesis, Characterization, and Their Tetrahedral-Square Planar Isomerization in Solution.","Inorganic chemistry","2015","54","10","4752","4760","10.1021/acs.inorgchem.5b00138","","","0.71073","MoKα","","0.076","0.0599","","","0.1728","0.1959","","","","","","1.02","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"4343243","16.7639","0.001","12.7811","0.0008","16.8394","0.001","90","","90","","90","","3608","0.4","150","2","150","2","","","","","","","","5","C m c a","-C 2ac 2","64","","","","- C18 H54 O6 Si8 Yb -","- C18 H54 O6 Si8 Yb -","- C72 H216 O24 Si32 Yb4 -","4","","","Thalangamaarachchige, Vidura D.; Unruh, Daniel K.; Cordes, David B.; Krempner, Clemens","Synthesis, structure, and reactivity of zwitterionic divalent rare-Earth metal silanides.","Inorganic chemistry","2015","54","9","4189","4191","10.1021/acs.inorgchem.5b00542","","","0.71073","MoKα","","0.0288","0.0214","","","0.0461","0.0514","","","","","","1.09","","","","has coordinates,has disorder","137963","2020-10-21","18:00:00",""
"4343244","16.8732","0.0014","12.8843","0.0011","16.9266","0.0014","90","","90","","90","","3679.8","0.5","150","2","150","2","","","","","","","","5","C m c a","-C 2ac 2","64","","","","- C18 H54 Eu O6 Si8 -","- C18 H54 Eu O6 Si8 -","- C72 H216 Eu4 O24 Si32 -","4","","","Thalangamaarachchige, Vidura D.; Unruh, Daniel K.; Cordes, David B.; Krempner, Clemens","Synthesis, structure, and reactivity of zwitterionic divalent rare-Earth metal silanides.","Inorganic chemistry","2015","54","9","4189","4191","10.1021/acs.inorgchem.5b00542","","","0.71073","MoKα","","0.0316","0.0236","","","0.0537","0.059","","","","","","1.054","","","","has coordinates,has disorder","137963","2020-10-21","18:00:00",""
"4343741","10.751","","12.087","","12.982","","90","","90","","90","","1686.98","","","","","","","","","","","","","4","C m c a","-C 2ac 2","64","","I Cl2 Sb F6","","- Cl2 F6 I Sb -","- Cl2 F6 I Sb -","- Cl16 F48 I8 Sb8 -","8","","","Birchall, T.; Myers, R.D.","Preparation and crystal structure of (I Cl2)(+) (Sb F6)(-) and iodine-127 Moessbauer spectra of some compounds containing the (I Cl2)(+) cation","Inorganic Chemistry","1981","20","","2207","2211","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4343768","8.224","","11.418","","18.591","","90","","90","","90","","1745.72","","","","","","","","","","","","","5","C m c a","-C 2ac 2","64","","Co (Si F3) (C O)4","","- C4 Co F3 O4 Si -","- C4 Co F3 O4 Si -","- C32 Co8 F24 O32 Si8 -","8","","","Emerson, K.; Robinson, W.T.; Ireland, P.R.","The crystal and molecular structure of trifluorosilytetracarbonylcobalt","Inorganic Chemistry","1970","9","","436","440","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4344164","2.8088","","4.843","","9.951","","90","","90","","90","","135.364","","","","","","","","","","","","","3","C m c a","-C 2ac 2","64","","Li0.56 Co O2","","- Co Li0.56 O2 -","- Co Li0.56 O2 -","- Co4 Li2.24 O8 -","4","","","Carlier, D.; Croguennec, L.; Ceder, G.; Menetrier, M.; Shao-Horn, Y.; Delmas, C.","Structural study of the T#2-(Lix Co O2) (0.52 < x <= 0.72) phase","Inorganic Chemistry","2004","43","","914","922","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4344248","21.072","","13.173","","11.948","","90","","90","","90","","3316.54","","","","","","","","","","","","","4","C m c a","-C 2ac 2","64","","Cs6 Cu2 (Te S3)2 (S6)2","","- Cs6 Cu2 S18 Te2 -","- Cs6 Cu2 S18 Te2 -","- Cs24 Cu8 S72 Te8 -","4","","","McCarthy, T.J.; Zhang, X.; Kanatzidis, M.G.","Synthesis of Cs Cu S6 and Cs 6 Cu2 (Te S3)2 (S6)2 in molten Cs2 Sx Tey salts.Novel compounds containing polychalcogenide ligands","Inorganic Chemistry","1993","32","","2944","2948","","","","","","","","","","","","","","","","","","","","","","has coordinates","162381","2020-10-21","18:00:00",""
"4500310","21.561","0.003","14.717","0.002","17.745","0.003","90","","90","","90","","5630.7","1.5","293","2","293","2","","","","","","","","6","C m c a","-C 2ac 2","64","","","","- C23 H15 Cu F6 N O4 -","- C23 H15 Cu F6 N O4 -","- C184 H120 Cu8 F48 N8 O32 -","8","","","Pachfule, Pradip; Das, Raja; Poddar, Pankaj; Banerjee, Rahul","Solvothermal Synthesis, Structure, and Properties of Metal Organic Framework Isomers Derived from a Partially Fluorinated Link","Crystal Growth & Design","2011","11","4","1215","","10.1021/cg101414x","","","0.71073","MoKα","","0.0529","0.066","","","0.141","0.1638","","","","","","1.067","","","","has coordinates,has disorder","179534","2020-10-21","18:00:00",""
"4501955","23.821","0.005","14.004","0.003","13.42","0.003","90","","90","","90","","4476.8","1.7","293","2","293","2","","","","","","","","7","C m c a","-C 2ac 2","64","anderson","","","- C12 H14 Cr Mo6 N4 Ni2 O42 -","- C12 H14 Cr Mo6 N4 Ni2 O42 -","- C48 H56 Cr4 Mo24 N16 Ni8 O168 -","4","","","Singh, Monika; Lofland, Samuel E.; Ramanujachary, Kandalam V.; Ramanan, Arunachalam","Crystallization of Anderson−Evans Type Chromium Molybdate Solids Incorporated with a Metal Pyrazine Complex or Coordination Polymer","Crystal Growth & Design","2010","10","12","5105","","10.1021/cg100754k","","","0.71073","MoKα","","0.0669","0.066","","","0.1476","0.1482","","","","","","1.202","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4502515","12.7255","0.0004","16.5613","0.0006","14.1515","0.0006","90","","90","","90","","2982.44","0.19","293","2","293","2","","","","","","","","5","C m c a","-C 2ac 2","64","","","","- C12.5 H12 Cd N4 O4 -","- C12.5 H2 Cd N4 O4 -","- C100 H16 Cd8 N32 O32 -","8","","","Bai, Hong-Ye; Ma, Jian-Fang; Yang, Jin; Liu, Ying-Ying; Hua-Wu,; Ma, Ji-Cheng","Effect of Anions on the Self-Assembly of Cd(II)-Containing Coordination Polymers Based on a Novel Flexible Tetrakis(imidazole) Ligand","Crystal Growth & Design","2010","10","2","995","","10.1021/cg901332m","","","0.71073","MoKα","","0.0884","0.067","","","0.1862","0.1949","","","","","","1.079","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4502555","14.3011","0.0005","7.8202","0.0003","15.0078","0.0005","90","","90","","90","","1678.43","0.1","296","2","296","2","","","","","","","","7","C m c a","-C 2ac 2","64","","","","- C4 H4 Ag F4 N2 Nb O -","- C4 H4 Ag F4 N2 Nb O -","- C32 H32 Ag8 F32 N16 Nb8 O8 -","8","","","Lin, Haisheng; Maggard, Paul A.","Microporosity, Optical Bandgap Sizes, and Photocatalytic Activity of M(I)-Nb(V) (M = Cu, Ag) Oxyfluoride Hybrids","Crystal Growth & Design","2010","10","3","1323","","10.1021/cg9013625","","","0.71073","MoKα","","0.0632","0.0618","","","0.1766","0.1778","","","","","","1.099","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4502564","8.88","0.005","8.976","0.005","18.883","0.01","90","","90","","90","","1505.1","1.4","293","2","293","2","","","","","","","","6","C m c a","-C 2ac 2","64","","","","- C H4 Hg N S3 Sb -","- C H4 Hg N S3 Sb -","- C8 H32 Hg8 N8 S24 Sb8 -","8","","","Kong, De-Nian; Xie, Zai-Lai; Feng, Mei-Ling; Ye, Dong; Du, Ke-Zhao; Li, Jian-Rong; Huang, Xiao-Ying","From One-Dimensional Ribbon to Three-Dimensional Microporous Framework: The Syntheses, Crystal Structures, and Properties of a Series of Mercury Antimony Chalcogenides","Crystal Growth & Design","2010","10","3","1364","","10.1021/cg9013834","","","0.71073","MoKα","","0.0455","0.0384","","","0.081","0.0831","","","","","","1.006","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4502565","9.013","0.006","8.856","0.006","25.757","0.016","90","","90","","90","","2056","2","293","2","293","2","","","","","","","","6","C m c a","-C 2ac 2","64","","","","- C3 H10 Hg N2 S3 Sb -","- C3 H10 Hg N2 S3 Sb -","- C24 H80 Hg8 N16 S24 Sb8 -","8","","","Kong, De-Nian; Xie, Zai-Lai; Feng, Mei-Ling; Ye, Dong; Du, Ke-Zhao; Li, Jian-Rong; Huang, Xiao-Ying","From One-Dimensional Ribbon to Three-Dimensional Microporous Framework: The Syntheses, Crystal Structures, and Properties of a Series of Mercury Antimony Chalcogenides","Crystal Growth & Design","2010","10","3","1364","","10.1021/cg9013834","","","0.71073","MoKα","","0.0452","0.0429","","","0.1156","0.1178","","","","","","1.098","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4502566","9.476","0.003","11.355","0.003","19.349","0.005","90","","90","","90","","2082","1","296","2","296","2","","","","","","","","6","C m c a","-C 2ac 2","64","","","","- C3 H11 Hg N2 S3 Sb -","- C3 H11 Hg N2 S3 Sb -","- C24 H88 Hg8 N16 S24 Sb8 -","8","","","Kong, De-Nian; Xie, Zai-Lai; Feng, Mei-Ling; Ye, Dong; Du, Ke-Zhao; Li, Jian-Rong; Huang, Xiao-Ying","From One-Dimensional Ribbon to Three-Dimensional Microporous Framework: The Syntheses, Crystal Structures, and Properties of a Series of Mercury Antimony Chalcogenides","Crystal Growth & Design","2010","10","3","1364","","10.1021/cg9013834","","","0.71073","MoKα","","0.027","0.0257","","","0.0776","0.0791","","","","","","1.026","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4503051","34.5859","0.0016","5.71316","0.00009","8.0155","0.00009","90","","90","","90","","1583.82","0.08","293","","293","","","","","","","","synthesis","4","C m c a","-C 2ac 2","64","","","","- C20 H10 N4 O4 -","- C20 H10 N4 O4 -","- C80 H40 N16 O16 -","4","","","Neels, Antonia; Mantero, Déborah González; Stoeckli-Evans, Helen","Solid-State Synthesis of New Diimide Compounds: A Two-Step Reaction Followed by X-ray Powder Diffraction","Crystal Growth & Design","2008","8","4","1147","","10.1021/cg070058q","powder diffraction","x-ray","1.54051","CuKalpha1","","","","","","","","0.08185","","2.77","","","","","","","has coordinates","179561","2020-10-21","18:00:00",""
"4503272","6.6439","0.0001","23.2514","0.0004","33.5615","0.0007","90","","90","","90","","5184.58","0.16","240","2","240","2","","","","","","","","5","C m c a","-C 2ac 2","64","2.(CHCl3)2","caffeine-succinic acid-chloroform 4/1/2","","- C38 H48 Cl6 N16 O12 -","- C38 H49 Cl6 N16 O12 -","- C152 H196 Cl24 N64 O48 -","4","","","Friščić, Tomislav; Trask, Andrew V.; Motherwell, W. D. S.; Jones, W.","Guest-Directed Assembly of Caffeine and Succinic Acid into Topologically Different Heteromolecular Host Networks upon Grinding","Crystal Growth & Design","2008","8","5","1605","","10.1021/cg700929e","","","0.71073","MoKα","","0.134","0.089","","","0.2459","0.2849","","","","","","1.033","","","","has coordinates,has disorder","179563","2020-10-21","18:00:00",""
"4503310","16.6207","0.0007","15.3719","0.0012","37.354","0.003","90","","90","","90","","9543.6","1.1","150","2","150","2","","","","","","","","5","C m c a","-C 2ac 2","64","","","","- C17.5 H15 Cd2.5 N5.5 O10.25 -","- C17.5 H9.5 Cd2.5 N5.5 O10.25 -","- C280 H152 Cd40 N88 O164 -","16","","","Lu, Wen-Guan; Jiang, Long; Feng, Xiao-Long; Lu, Tong-Bu","Four 3D Porous Metal−Organic Frameworks with Various Layered and Pillared Motifs","Crystal Growth & Design","2008","8","3","986","","10.1021/cg700979r","","","1.54178","CuKα","","0.109","0.0915","","","0.2009","0.2088","","","","","","1.088","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4504022","9.14","0.003","15.831","0.003","13.961","0.005","90","","90","","90","","2020.1","1.1","298","2","298","2","","","","","","","","5","C m c a","-C 2ac 2","64","","","","- C16 H16 Fe N10 S2 -","- C16 H16 Fe N10 S2 -","- C64 H64 Fe4 N40 S8 -","4","","","Jin, Shouwen; Chen, Wanzhi; Qiu, Huayu","Syntheses and Structural Characterization of a One-Dimensional Chain, Two-Dimensional Noninterpenetrated Grid, and Three-Dimensional Polycatenane Coordination Polymers Assembled from Flexible Bidentate Imidazolyl Ligands","Crystal Growth & Design","2007","7","10","2071","","10.1021/cg060666q","","","0.71073","MoKα","","0.038","0.0286","","","0.0739","0.0851","","","","","","1.003","","","","has coordinates","179575","2020-10-21","18:00:00",""
"4504199","12.5","0.003","16.55","0.004","14.409","0.004","90","","90","","90","","2980.9","1.3","173","2","173","2","","","","","","","","5","C m c a","-C 2ac 2","64","","","","- C14 H15 Cd N3 O5 -","- C14 H15 Cd N3 O5 -","- C112 H120 Cd8 N24 O40 -","8","","","Montney, Matthew R.; Mallika Krishnan, Subhashree; Patel, Niral M.; Supkowski, Ronald M.; LaDuca, Robert L.","Divalent Metal Succinate/4,4‘-Dipyridylamine Extended Solids: From Helical Chains to Diverse Three-Dimensional Networks Featuring Double, Quadruple, or Self-Interpenetration","Crystal Growth & Design","2007","7","6","1145","","10.1021/cg070008l","","","0.71073","MoKα","","0.05","0.0289","","","0.0657","0.0777","","","","","","1.098","","","","has coordinates","179576","2020-10-21","18:00:00",""
"4504242","28.129","0.006","25.034","0.005","15.343","0.003","90","","90","","90","","10804","4","150","2","150","2","","","","","","","","5","C m c a","-C 2ac 2","64","Copper(II) terephthalate","","","- C23 H27 Cu2 N2 O11.5 -","- C23.816 H20.5 Cu2 N2 O11.908 -","- C381.056 H328 Cu32 N32 O190.528 -","16","","","Xue, Dong-Xu; Lin, Yan-Yong; Cheng, Xiao-Ning; Chen, Xiao-Ming","A Tetracarboxylate−Bridged Dicopper(II) Paddle-Wheel-Based 2-D Porous Coordination Polymer with Gas Sorption Properties","Crystal Growth & Design","2007","7","7","1332","","10.1021/cg070144q","","","0.71073","MoKα","","0.1088","0.0706","","","0.1571","0.1817","","","","","","1.036","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4504243","27.948","0.005","25.11","0.005","15.232","0.003","90","","90","","90","","10689","4","293","2","293","2","","","","","","","","5","C m c a","-C 2ac 2","64","Copper(II) terephthalate","","","- C19 H16 Cu2 N O10 -","- C19 H17 Cu2 N O10 -","- C304 H272 Cu32 N16 O160 -","16","","","Xue, Dong-Xu; Lin, Yan-Yong; Cheng, Xiao-Ning; Chen, Xiao-Ming","A Tetracarboxylate−Bridged Dicopper(II) Paddle-Wheel-Based 2-D Porous Coordination Polymer with Gas Sorption Properties","Crystal Growth & Design","2007","7","7","1332","","10.1021/cg070144q","","","0.71073","MoKα","","0.1536","0.0931","","","0.1965","0.2243","","","","","","1.052","","","","has coordinates","179577","2020-10-21","18:00:00",""
"4504598","12.0729","0.0024","8.6976","0.0028","10.151","0.0025","90","","90","","90","","1065.9","0.5","173","2","173","2","","","","","","","","5","C m c a","-C 2ac 2","64","","","","- C4 H12 Cl4 N2 Pt -","- C4 H12 Cl4 N2 Pt -","- C16 H48 Cl16 N8 Pt4 -","4","","","Adams, Christopher J.; Angeloni, Alessandro; Orpen, A. Guy; Podesta, Thomas J.; Shore, Benjamin","Crystal Synthesis of Organic−Inorganic Hybrid Salts Based on Tetrachloroplatinate and -palladate Salts of Organic Cations: Formation of Linear, Two-, and Three-Dimensional NH···Cl Hydrogen Bond Networks","Crystal Growth & Design","2006","6","2","411","","10.1021/cg050362o","","","0.71073","MoKα","","0.0206","0.016","","","0.0384","0.0389","","","","","","0.994","","","","has coordinates","179580","2020-10-21","18:00:00",""
"4505690","17.868","0.001","18.614","0.001","7.794","0.001","90","","90","","90","","2592.2","0.4","293","2","293","2","","","","","","","","5","C m c a","-C 2ac 2","64","","","","- C13 H10 Co0.5 N5 S -","- C13 H10 Co0.5 N5 S -","- C104 H80 Co4 N40 S8 -","8","","","Son, Seung Uk; Park, Kang Hyun; Kim, Bo Yun; Chung, Young Keun","Construction of Cylindrical Nanotubular Materials by Self-Assembly of Co(NCS)2with Bent-Building Blocks Having Diimidazole Rings","Crystal Growth & Design","2003","3","4","507","","10.1021/cg034010y","","","0.71073","MoKα","","0.1058","0.043","","","0.1143","0.1798","","","","","","1.005","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4507301","6.305","0.004","10.177","0.012","8.714","0.007","90","","90","","90","","559.1","0.9","120","","120","","","","","","","","","3","C m c a","-C 2ac 2","64","","","","- C2 Cl2 F4 -","- C2.02 Cl2.08 F4.04 -","- C8.08 Cl8.32 F16.16 -","4","","","Negrier, Philippe; Tamarit, Josep Ll.; Barrio, María; Mondieig, Denise","Polymorphism in Halogen-Ethane Derivatives: CCl3‒CCl3and ClF2C‒CF2Cl","Crystal Growth & Design","2013","13","2","782","","10.1021/cg301498f","","neutron","2.398","Neutron","","","","","","","","","","","","","","","","","has coordinates","179609","2020-10-21","18:00:00",""
"4508612","34.197","0.006","7.1577","0.0011","14.052","0.002","90","","90","","90","","3439.5","0.9","173","2","173","2","","","","","","","","3","C m c a","-C 2ac 2","64","11199Z","","","- C46 H30 F6 -","- C46 H30 F6 -","- C184 H120 F24 -","4","","","Xie, Wei; Prabhumirashi, Pradyumna L.; Nakayama, Yasuo; McGarry, Kathryn A.; Geier, Michael L.; Uragami, Yuki; Mase, Kazuhiko; Douglas, Christopher J.; Ishii, Hisao; Hersam, Mark C.; Frisbie, C. Daniel","Utilizing Carbon Nanotube Electrodes to Improve Charge Injection and Transport in Bis(trifluoromethyl)-dimethyl-rubrene Ambipolar Single Crystal Transistors.","ACS nano","2013","7","11","10245","10256","10.1021/nn4045694","","","0.71073","MoKα","","0.0915","0.0527","","","0.1331","0.156","","","","","","1.031","","","","has coordinates","179622","2020-10-21","18:00:00",""
"4509315","26.0108","0.0008","14.1312","0.0013","17.4098","0.001","90","","90","","90","","6399.2","0.7","150","2","150","2","","","","","","","","7","C m c a","-C 2ac 2","64","","","","- C32 H30 Ag F3 N8 O4 S -","- C32 H26 Ag F3 N8 O4 S -","- C256 H208 Ag8 F24 N64 O32 S8 -","8","","","Zheng, Sheng-Run; Yang, Qing-Yuan; Yang, Rui; Pan, Mei; Cao, Rong; Su, Cheng-Yong","Metal-Directed Assembly of Coordination Polymers with a Multifunctional Semirigid Ligand Containing Pyridyl and Benzimidazolyl Donor Groups","Crystal Growth & Design","2009","9","5","2341","","10.1021/cg801228x","","","0.71073","MoKα","","0.0735","0.0584","","","0.1729","0.1826","","","","","","0.999","","","","has coordinates,has disorder","179629","2020-10-21","18:00:00",""
"4509585","28.055","0.006","15.616","0.003","10.667","0.002","90","","90","","90","","4673.3","1.6","200","0.1","200","0.1","","","","","","","","3","C m c a","-C 2ac 2","64","","","","- C9 H18 O6 -","- C9 H16.65 O6 -","- C144 H266.4 O96 -","16","","","Reany, Ofer; Kapon, Moshe; Botoshansky, Mark; Keinan, Ehud","Rich Polymorphism in Triacetone-Triperoxide","Crystal Growth & Design","2009","9","8","3661","","10.1021/cg900390y","","","0.71073","MoKα","","0.1476","0.0975","","","0.311","0.3329","","","","","","1.142","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4510870","40.933","0.006","25.607","0.004","35.165","0.005","90","","90","","90","","36859","9","120","2","120","2","","","","","","","","8","C m c a","-C 2ac 2","64","","","","- C252 H314 Cl6 Co24 N6 O57 P8 S24 -","- C240 H96 Cl6 Co24 O57 P8 S24 -","- C960 H384 Cl24 Co96 O228 P32 S96 -","4","","","Su, Kongzhao; Jiang, Feilong; Qian, Jinjie; Gai, Yanli; Wu, Mingyan; Bawaked, Salem M.; Mokhtar, Mohamed; AL-Thabaiti, Shaeel A.; Hong, Maochun","Generalized Synthesis of Calixarene-Based High-Nuclearity M4nNanocages (M = Ni or Co;n= 2‒6)","Crystal Growth & Design","2014","14","6","3116","","10.1021/cg5003836","","","0.71073","MoKα","","0.1048","0.0853","","","0.2413","0.2687","","","","","","1.051","","","","has coordinates","179655","2020-10-21","18:00:00",""
"4511950","6.3099","0.0001","12.3959","0.0003","14.5287","0.0003","90","","90","","90","","1136.39","0.04","293","2","293","2","","","","","","","","4","C m c a","-C 2ac 2","64","","","","- Br4 Fe3 O4 Sb2 -","- Br4 Fe3 O4 Sb2 -","- Br16 Fe12 O16 Sb8 -","4","","","Zimmermann, Iwan; Johnsson, Mats","A Synthetic Route toward Layered Materials: Introducing Stereochemically Active Lone-Pairs into Transition Metal Oxohalides","Crystal Growth & Design","2014","14","10","5252","","10.1021/cg5010374","","","0.71073","MoKα","","0.0337","0.0237","","","0.048","0.0494","","","","","","0.865","","","","has coordinates","179666","2020-10-21","18:00:00",""
"4512981","6.7633","0.0004","13.0955","0.0007","35.472","0.002","90","","90","","90","","3141.7","0.3","298","2","298","2","","","","","","","","7","C m c a","-C 2ac 2","64","","","","- C11 H7 Br2 Cl2 Hg N3 O -","- C11 H7 Br2 Cl2 Hg N3 O -","- C88 H56 Br16 Cl16 Hg8 N24 O8 -","8","","","Khavasi, Hamid Reza; Norouzi, Fataneh; Azhdari Tehrani, Alireza","Halogen Bonding Synthon Modularity in Coordination Compounds","Crystal Growth & Design","2015","15","6","2579","","10.1021/acs.cgd.5b00282","","","0.71073","MoKα","","0.0837","0.0699","","","0.1588","0.166","","","","","","1.215","","","","has coordinates","176429","2020-10-21","18:00:00",""
"6000126","10.83","","5.763","","5.762","","90","","90","","90","","359.63","","","","","","","","","","","","","2","C m c a","","","","","","- Ge2 Ni -","","","","","","Takizawa, H.; Uheda, K.; Endo, T.","NiGe2: a new intermetallic compound synthesized under high-pressure","Journal of Alloys and Compounds","2000","305","","306","310","10.1016/S0925-8388(00)00733-7","","","","","","","","","","","","","","","","","","","","","","176292","2020-10-21","18:00:00",""
"6000164","5.7762","","13.271","","13.083","","90","","90","","90","","1002.89","","","","","","","","","","","","","3","C m c a","","","","","","- Ba4 O10 Ru3 -","","","","","","Carim, A. H.; Dera, P.; Finger, L. W.; Mysen, B.; Prewitt, C. T.; Schlom, D. G.","Crystal structure and compressibility of Ba4Ru3O10","Journal of Solid State Chemistry","2000","149","","137","142","10.1006/jssc.1999.8511","","","","","","","","","","","","","","","","","","","","","","176292","2020-10-21","18:00:00",""
"6000262","11.3647","","11.377","","11.0203","","90","","90","","90","","1424.88","","","","","","","","","","","","","4","C m c a","","","","","","- Ba O14 Sr4 U3 -","","","","","","Cordfunke, E. H. P.; Huntelaar, M. E.; Ijdo, D. J. W.","The structure of BaSr4U3O14 and a structural and thermodynamic characterization of Sr5U3O14","Journal of Solid State Chemistry","1999","146","","144","150","10.1006/jssc.1999.8320","","","","","","","","","","","","","","","","","","","","","","176292","2020-10-21","18:00:00",""
"6000338","6.0238","","14.1126","","13.4616","","90","","90","","90","","1144.39","","","","","","","","","","","","","3","C m c a","","","","","","- D10 Mg3 Rb4 -","","","","","","Gingl, F.; Vogt, T.; Akiba, E.; Yvon, K.","Structure refinement of Rb~4~Mg~3~D~10~ on neutron powder diffraction data","Journal of Alloys and Compounds","1999","284","1-2","L4","L6","10.1016/S0925-8388(98)00951-7","","","","","","","","","","","","","","","","","","","","","","174711","2020-10-21","18:00:00",""
"6000361","11.458","","6.628","","12.774","","90","","90","","90","","970.1","","","","","","","","","","","","","3","C m c a","","","","","","- Ag2 Hf S3 -","","","","","","Wada, H.; Amiel, O.; Takenouchi, S.","Insertion of lithium into Ag~4~Hf~3~S~8~ and Ag~2~HfS~3~ by n-BuLi and its structural change","Solid State Ionics","1998","115","","487","491","10.1016/S0167-2738(98)00314-2","","","","","","","","","","","","","","","","","","","","","","188703","2020-10-21","18:00:00",""
"6000535","7.5354","","5.8491","","19.323","","90","","90","","90","","851.67","","","","130","","","","","","","","","3","C m c a","","","","","","- C F3 I -","","","","","","Clarke, S. J.; Cockcroft, J. K.; Fitch, A. N.","The structure of solid CF3I","Zeitschrift für Kristallographie","1993","206","1-2","87","95","10.1524/zkri.1993.206.12.87","","","","","","","","","","","","","","","","","","","","","","176292","2020-10-21","18:00:00",""
"6000672","5.8614","","11.4682","","12.9121","","90","","90","","90","","867.95","","","","","","","","","","","","","3","C m c a","","","","","","- Ba2 N3 V -","","","","","","Gregory, D. H.; Barker, M. G.; Edwards, P. P.; Siddons, D. J.","Synthesis and structure of SR2VN3 and BA2VN3, 2 new nitridovanadates","Inorganic Chemistry","1995","34","","3912","3916","10.1021/ic00119a012","","","","","","","","","","","","","","","","","","","","","","176292","2020-10-21","18:00:00",""
"6000690","7.0878","","9.0362","","12.702","","90","","90","","90","","813.52","","","","","","","","","","","","","3","C m c a","","","","","","- O9 P2 U2 -","","","","","","Benard, P.; Louer, D.; Dacheux, N.; Brandel, V.; Genet, M.","Synthesis, ab initio structure determination from powder diffraction and spectroscopic properties of a new diuranium oxide phosphate","Anales de Quimica International Edition","1996","92","","79","87","","","","","","","","","","","","","","","","","","","","","","","176292","2020-10-21","18:00:00",""
"7000302","6.741","0.007","18.841","0.009","16.886","0.009","90","","90","","90","","2145","3","293","2","293","2","","","","","","","","4","C m c a","-C 2ac 2","64","","","","- C10 H22 Cr2 O22 -","- C10 H22 Cr2 O22 -","- C40 H88 Cr8 O88 -","4","","","Salidu, Marco; Artizzu, Flavia; Deplano, Paola; Mercuri, Maria Laura; Pilia, Luca; Serpe, Angela; Marchiò, Luciano; Concas, Giorgio; Congiu, Francesco","Self-assembly supramolecular architectures of chromium(III) complexes using croconate as building block","Dalton Transactions","2009","","3","557","563","10.1039/b810216n","","","0.71073","MoKα","","0.0722","0.035","","","0.058","0.0625","","","","","","1.01","","","","has coordinates,has disorder","179681","2020-10-21","18:00:00",""
"7000512","16.422","0.003","17.978","0.004","16.105","0.003","90","","90","","90","","4754.8","1.6","291","2","291","2","","","","","","","","7","C m c a","-C 2ac 2","64","","","","- C28 H44 Cu6 I2 N8 S8 W2 -","- C28 H44 Cu6 I2 N8 S8 W2 -","- C112 H176 Cu24 I8 N32 S32 W8 -","4","","","Huang, Yu-Jian; Song, Ying-Lin; Chen, Yang; Li, Hong-Xi; Zhang, Yong; Lang, Jian-Ping","Formation of dimeric and polymeric W/Cu/S clusters via degradation or expansion of the cluster core in [Et4N]4[WS4Cu4I6]","Dalton Transactions","2009","","8","1411","","10.1039/b816312j","","","0.71073","MoKα","","0.0809","0.0674","","","0.11","0.115","","","","","","1.096","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7001582","12.728","0.003","11.487","0.002","12.116","0.002","90","","90","","90","","1771.4","0.6","100","2","100","2","","","","","","","","5","C m c a","-C 2ac 2","64","(Mn(5-bromopyrimidine)(N3)2)n","","","- C4 H3 Br Mn N8 -","- C4 H3 Br Mn N8 -","- C32 H24 Br8 Mn8 N64 -","8","","","Vicente, Ramon; Bitschnau, Brigitte; Egger, Andreas; Sodin, Beate; Mautner, Franz A.","Rational design of manganese-μ-azido 3D compounds by using diazines as co-ligands: synthesis, structure and magnetic behaviour","Dalton Transactions","2009","","26","5120","5126","10.1039/b900417c","","","0.71069","MoKα","","0.0445","0.0421","","0.1012","","0.0995","","","1.092","","","1.106","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7001796","14.9808","0.0007","10.0118","0.0004","26.2621","0.0009","90","","90","","90","","3938.9","0.3","100","2","100","2","","","","","","","","6","C m c a","-C 2ac 2","64","","","","- C16 H33 N3 O Si Ti -","- C16 H33 N3 O Si Ti -","- C128 H264 N24 O8 Si8 Ti8 -","8","","","Willner, Alexander; Neumann, Beate; Stammler, Hans-Georg; Mitzel, Norbert W.","Transformation of hydroxylamide into hydrazide units in the coordination spheres of group 4 metals","Dalton Transactions","2009","","32","6280","6282","10.1039/b908176c","","","0.71073","MoKα","","0.0681","0.0429","","","0.1058","0.1157","","","","","","1.047","","","","has coordinates,has disorder","209597","2020-10-21","18:00:00",""
"7003566","22.6662","0.0008","14.4954","0.0005","12.2951","0.0004","90","","90","","90","","4039.6","0.2","123","2","123","2","","","","","","","","4","C m c a","-C 2ac 2","64","1,4,8,11-Tetramesityl-1,4,6,8,11,12-hexaaza-5lambda5,7lambda5- diphospha-dispiro(4.1.4.1)-dodeca-2,9-diene","1,4,8,11-Tetramesityl-1,4,6,8,11,12-hexaaza-5lambda5,7lambda5- diphospha-dispiro[4.1.4.1]-dodeca-2,9-diene","","- C46 H54 N6 P2 -","- C46 H54 N6 P2 -","- C184 H216 N24 P8 -","4","","","Burck, Sebastian; Gudat, Dietrich; Nieger, Martin; Schalley, Christoph A.; Weilandt, Torsten","Phosphazene vs.diazaphospholene PN-bond cleavage in spirocyclic cyclodiphosphazenes","Dalton Transactions","2008","","26","3478","3485","10.1039/b717219b","","","0.71073","MoKα","","0.0659","0.039","","","0.0899","0.0977","","","","","","0.991","","","","has coordinates","179739","2020-10-21","18:00:00",""
"7005501","11.403","0.002","14.964","0.003","16.632","0.003","90","","90","","90","","2838","0.9","293","2","293","2","","","","","","","","5","C m c a","-C 2ac 2","64","Hexacarbonyl-bis(9-ethyl-9-phosphabicyclo(3.3.1)nonane)- dicobalt","Hexacarbonyl-bis(9-ethyl-9-phosphabicyclo[3.3.1]nonane)-dicobalt","","- C26 H38 Co2 O6 P2 -","- C26 H38 Co2 O6 P2 -","- C104 H152 Co8 O24 P8 -","4","","","Bungu, Peter N.; Otto, Stefanus","Bicyclic phosphines as ligands for cobalt catalysed hydroformylation. Crystal structures of [Co(Phoban[3.3.1]-Q)(CO)(3)](2) (Q = C(2)H(5), C(5)H(11), C(3)H(6)NMe(2), C(6)H(11)).","Dalton transactions (Cambridge, England : 2003)","2007","","27","2876","2884","10.1039/b702709e","","","0.71073","MoKα","","0.1004","0.0925","","","0.2109","0.2145","","","","","","1.199","","","","has coordinates","179759","2020-10-21","18:00:00",""
"7005962","18.8345","0.0016","8.1735","0.0007","17.42","0.0015","90","","90","","90","","2681.7","0.4","213","2","213","2","","","","","","","","5","C m c a","-C 2ac 2","64","","","","- C10 H22 Cl N3 O2 -","- C10 H22 Cl N3 O2 -","- C80 H176 Cl8 N24 O16 -","8","","","Cotton, F. Albert; Murillo, Carlos A.; Wang, Xiaoping; Wilkinson, Chad C.","Increasing the solubility of strong reducing agents containing Mo(2)(4+) units and alkyl-substituted guanidinate ligands.","Dalton transactions (Cambridge, England : 2003)","2007","","35","3943","3951","10.1039/b707201e","","","0.71073","MoKα","","0.0569","0.038","","","0.0836","0.094","","","","","","1.042","","","","has coordinates","179763","2020-10-21","18:00:00",""
"7006877","26.8898","0.0018","11.6087","0.0007","43.684","0.003","90","","90","","90","","13636.2","1.5","163","2","163","2","","","","","","","","6","C m c a","-C 2ac 2","64","","","","- C62.5 H49 F18 N12 P3 Ru2 -","- C62.5 H50 F18 N12 P3 Ru2 -","- C500 H400 F144 N96 P24 Ru16 -","8","","","Slater, Jonathan W.; D'Alessandro, Deanna M; Keene, F. Richard; Steel, Peter J.","Metal-metal interactions in dinuclear ruthenium complexes containing bridging 4,5-di(2-pyridyl)imidazolates and related ligands.","Dalton transactions (Cambridge, England : 2003)","2006","","16","1954","1962","10.1039/b514976m","","","0.71073","MoKα","","0.1442","0.0826","","","0.2322","0.2551","","","","","","0.953","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7007264","15.221","0.005","21.319","0.006","10.959","0.003","90","","90","","90","","3556.2","1.8","150","2","150","2","","","","","","","","6","C m c a","-C 2ac 2","64","","","","- C12 H20 Au F6 N4 P -","- C12 H20 Au F6 N4 P -","- C96 H160 Au8 F48 N32 P8 -","8","","","Baker, Murray V.; Barnard, Peter J.; Berners-Price, Susan J; Brayshaw, Simon K.; Hickey, James L.; Skelton, Brian W.; White, Allan H.","Cationic, linear Au(I) N-heterocyclic carbene complexes: synthesis, structure and anti-mitochondrial activity.","Dalton transactions (Cambridge, England : 2003)","2006","","30","3708","3715","10.1039/B602560A","","","0.71073","MoKα","","0.133","0.108","","0.187","","0.164","","","1.138","","","1.177","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7008276","12.782","0.0003","17.5806","0.0005","15.9014","0.0004","90","","90","","90","","3573.29","0.16","150","","150","","","","","","","","?","6","C m c a","-C 2ac 2","64","(Zr2(mu-N-2,6-C6H3Me2)2Cl4(THF)4)","[Zr2(mu-N-2,6-C6H3Me2)2Cl4(THF)4]","","- C32 H50 Cl4 N2 O4 Zr2 -","- C32 H50 Cl4 N2 O4 Zr2 -","- C128 H200 Cl16 N8 O16 Zr8 -","4","","","Dubberley, Stuart R.; Evans, Simon; Boyd, Catherine L.; Mountford, Philip","New and versatile routes to zirconium imido dichloride compounds.","Dalton transactions (Cambridge, England : 2003)","2005","","8","1448","1458","10.1039/b500507h","","","0.71073","MoKα","","","0.0243","","","","0.0258","","","","","","1.0221","","","","has coordinates","211332","2020-10-21","18:00:00",""
"7009331","6.883","0.001","10.094","0.001","17.831","0.001","90","","90","","90","","1238.8","0.2","298.2","","298.2","","","","","","","","","4","C m c a","-C 2ac 2","64","","","","- C8 Au2 Cu N6 -","- C8 Au2 Cu N6 -","- C32 Au8 Cu4 N24 -","4","","","Yeung, Wai-Fun; Wong, Wing-Tak; Zuo, Jing-Lin; Lau, Tai-Chu","Syntheses and structures of novel heterobimetallic Cu(II)‒Au(I) complexes Cu(cyclen)[Au(CN)2]2 and Cu(pyz)[Au(CN)2]2","Journal of the Chemical Society, Dalton Transactions","2000","","5","629","","10.1039/a910350n","","","0.7107","MoKalpha","","","0.0419","","","0.0503","","","","","1.625","1.625","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7010598","10.164","","12.526","","26.427","","90","","90","","90","","3364.53","","203","2","203","2","","","","","","","","6","C m c a","-C 2ac 2","64","","","","- C12 H29 I N3 P Se -","- C12 H29 I N3 P Se -","- C96 H232 I8 N24 P8 Se8 -","8","","","Godfrey, Stephen M.; Ollerenshaw, Ruth T. A.; Pritchard, Robin G.; Richards, Claire L.","Structural isomerism in R3PSe(Ph)I compounds: the ionic structure of [(Me2N)3PSePh]I","Journal of the Chemical Society, Dalton Transactions","2001","","5","508","","10.1039/b100882j","","","0.71073","MoKα","","0.0628","0.0478","","","0.1217","0.1321","","","","","","1.092","","","","has coordinates","179809","2020-10-21","18:00:00",""
"7010679","16.5828","0.0012","9.5349","0.0009","31.467","0.003","90","","90","","90","","4975.4","0.8","153","2","153","2","","","","","","","","5","C m c a","-C 2ac 2","64","","","","- C25 H31 Cl O3 Ru4 -","- C25 H31 Cl O3 Ru4 -","- C200 H248 Cl8 O24 Ru32 -","8","","","Chérioux, Frédéric; Maisse-François, Aline; Neels, Antonia; Stoeckli-Evans, Helen; Süss-Fink, Georg","Nucleophilic addition reactions on the electron-deficient cluster dication [H4Ru4(C6H6)4]2+: synthesis and structural characterisation of the water-soluble cluster cations [H3Ru4(C6H6)4(CO)]+and [H3Ru4(C6H6)4(OH)]2+†","Journal of the Chemical Society, Dalton Transactions","2001","","14","2184","","10.1039/b102108g","","","0.71073","MoKα","","0.0439","0.0397","","","0.0951","0.099","","","","","","1.045","","","","has coordinates","179810","2020-10-21","18:00:00",""
"7010961","16.597","0.003","6.62","0.001","17.117","0.003","90","","90","","90","","1880.7","0.6","296","2","296","2","","","","","","","synthesis","6","C m c a","-C 2ac 2","64","","[bis-ethylenediamine nickel(II)] hexavanadate(V)","","- C4 H16 N4 Ni O14 V6 -","- C4 H16 N4 Ni O14 V6 -","- C16 H64 N16 Ni4 O56 V24 -","4","","","Bi-Zhou Lin; Shi-Xiong Liu","Hydrothermal synthesis, structure and characterization of a novel layered vanadium oxide with metal coordination complexes: [Ni(en)2][V6O14]","J. Chem. Soc., Dalton Trans.","2002","","6","865","869","10.1039/b105934n","","","0.71069","MoKα","","0.1009","0.0559","","","0.1309","0.1484","","","","","","1.024","","","","has coordinates","213973","2020-10-21","18:00:00",""
"7010964","14.8887","0.0008","16.5295","0.0008","16.1773","0.0009","90","","90","","90","","3981.3","0.4","150","","150","","","","","","","","synthesis as described","6","C m c a","-C 2ac 2","64","","","","- C23 H24 Mo N O P -","- C23 H23.5 Mo N O P -","- C184 H188 Mo8 N8 O8 P8 -","8","","","Neale G. Jones; Malcolm L. H. Green; Ino Vei; Andrew Cowley; Xavier Morise; Pierre Braunstein","Synthesis of molybdenum arene complexes containing amide-derived heterodifunctional P,O ligands","J. Chem. Soc., Dalton Trans.","2002","","7","1487","1493","10.1039/b105957m","","","0.71073","MoKα","","","0.0356","","","","0.0387","","","","","","1.0575","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7011536","24.0044","0.0004","15.5269","0.0002","7.9701","0.0001","90","","90","","90","","2970.57","0.07","223","2","223","2","","","","","","","","6","C m c a","-C 2ac 2","64","","","","- C10 H32 Ca2 Cl4 O18 P4 -","- C10 H32 Ca2 Cl4 O18 P4 -","- C40 H128 Ca8 Cl16 O72 P16 -","4","","","Kontturi, Mervi; Vuokila-Laine, Eija; Peräniemi, Sirpa; Pakkanen, Tuula T.; Vepsäläinen, Jouko J.; Ahlgrén, Markku","A structural study of bisphosphonate metal complexes. Alkaline earth metal complexes of (dichloromethylene)bisphosphonic acid P,P'-diethyl ester","Journal of the Chemical Society, Dalton Transactions","2002","","9","1969","","10.1039/b201124g","","","0.71073","MoKα","","0.0362","0.0317","","","0.0802","0.0831","","","","","","1.05","","","","has coordinates","213973","2020-10-21","18:00:00",""
"7011537","24.0676","0.0009","15.7465","0.0006","8.036","0.0002","90","","90","","90","","3045.49","0.18","223","2","223","2","","","","","","","","6","C m c a","-C 2ac 2","64","","","","- C10 H32 Cl4 O18 P4 Sr2 -","- C10 H32 Cl4 O18 P4 Sr2 -","- C40 H128 Cl16 O72 P16 Sr8 -","4","","","Kontturi, Mervi; Vuokila-Laine, Eija; Peräniemi, Sirpa; Pakkanen, Tuula T.; Vepsäläinen, Jouko J.; Ahlgrén, Markku","A structural study of bisphosphonate metal complexes. Alkaline earth metal complexes of (dichloromethylene)bisphosphonic acid P,P'-diethyl ester","Journal of the Chemical Society, Dalton Transactions","2002","","9","1969","","10.1039/b201124g","","","0.71073","MoKα","","0.0295","0.0273","","","0.0691","0.0708","","","","","","1.086","","","","has coordinates","213973","2020-10-21","18:00:00",""
"7012724","15.137","0.005","14.921","0.007","21.516","0.012","90","","90","","90","","4860","4","295","2","295","2","","","","","","","","6","C m c a","-C 2ac 2","64","","","","- C13 H22 Cl N6 Ni2 O11 -","- C13 H22 Cl N6 Ni2 O11 -","- C104 H176 Cl8 N48 Ni16 O88 -","8","","","Pavlishchuk, Vitaly V.; Kolotilov, Sergey V.; Addison, Anthony W.; Prushan, Michael J.; Schollmeyer, Dieter; Thompson, Laurence K.; Weyhermüller, Thomas; Goreshnik, Eugeny A.","Structural, magnetic and related attributes of some oximate-bridged tetranuclear nickel(ii) rhombs and a dinuclear congenerElectronic supplementary information (ESI) available: mass spectra, χT vs. T, response of magnetic properties, low-lying spin levels and UV-VIS data. See http://www.rsc.org/suppdata/dt/b3/b300539a/","Dalton Transactions","2003","","8","1587","","10.1039/b300539a","","","1.54178","CuKα","","0.1755","0.0889","","","0.2572","0.32","","","","","","1.026","","","","has coordinates,has disorder","213973","2020-10-21","18:00:00",""
"7013019","17.7581","0.0005","19.4442","0.0008","21.618","0.002","90","","90","","90","","7464.5","0.8","183","2","183","2","","","","","","","","5","C m c a","-C 2ac 2","64","","","","- C79 H108 Mg2 N4 O4 -","- C81 H109 Mg2 N4 O4 -","- C324 H436 Mg8 N16 O16 -","4","","","Dove, Andrew P.; Gibson, Vernon C.; Hormnirun, Pimpa; Marshall, Edward L.; Segal, John A.; White, Andrew J. P.; Williams, David J.","Low coordinate magnesium chemistry supported by a bulky ?-diketiminate ligand","Dalton Transactions","2003","","15","3088","","10.1039/b303550f","","","1.54178","CuKα","","0.0665","0.0519","","0.1492","0.1368","","","","1.074","1.113","1.113","","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7017726","10.0015","0.0006","15.668","0.0007","8.6696","0.0005","90","","90","","90","","1358.56","0.13","293","2","293","2","","","","","","","","5","C m c a","-C 2ac 2","64","","","","- C10 H8 Cd N6 S2 -","- C10 H8 Cd N6 S2 -","- C40 H32 Cd4 N24 S8 -","4","","","Jess, Inke; Boeckmann, Jan; Näther, Christian","New cadmium thio- and selenocyanato coordination compounds: structural snapshots on the reaction pathway to more condensed anionic networks.","Dalton transactions (Cambridge, England : 2003)","2012","41","1","228","236","10.1039/c1dt11377a","","","0.71073","MoKα","","0.067","0.0485","","","0.0843","0.0895","","","","","","1.213","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7017874","13.8058","0.0007","15.1978","0.0007","14.0101","0.0006","90","","90","","90","","2939.6","0.2","100","0.2","100","0.2","","","","","","","","3","C m c a","-C 2ac 2","64","Tetramethyl(eta5-pentamethylcyclopentadienyl)tantalum","Tetramethyl(eta5-pentamethylcyclopentadienyl)tantalum","","- C14 H27 Ta -","- C14 H27 Ta -","- C112 H216 Ta8 -","8","","","Horrillo-Martinez, Patricia; Patrick, Brian O.; Schafer, Laurel L.; Fryzuk, Michael D.","Oxygen extrusion from amidate ligands to generate terminal Ta[double bond, length as m-dash]O units under reducing conditions. How to successfully use amidate ligands in dinitrogen coordination chemistry.","Dalton transactions (Cambridge, England : 2003)","2012","41","5","1609","1616","10.1039/c1dt11595b","","","0.71073","MoKα","","0.0233","0.0202","","","0.0455","0.0472","","","","","","1.035","","","","has coordinates,has disorder","179882","2020-10-21","18:00:00",""
"7019578","21.9175","0.0012","10.2819","0.0003","7.0879","0.0003","90","","90","","90","","1597.28","0.12","120","2","120","2","","","","","","","","4","C m c a","-C 2ac 2","64","","","","- C6 H10 Co O5 -","- C6 H10 Co O5 -","- C48 H80 Co8 O40 -","8","","","Saines, Paul J.; Tan, Jin-Chong; Yeung, Hamish H.-M.; Barton, Phillip T.; Cheetham, Anthony K.","Layered inorganic-organic frameworks based on the 2,2-dimethylsuccinate ligand: structural diversity and its effect on nanosheet exfoliation and magnetic properties.","Dalton transactions (Cambridge, England : 2003)","2012","41","28","8585","8593","10.1039/c2dt30648d","","","0.71073","MoKα","","0.0564","0.0479","","","0.1254","0.1295","","","","","","1.16","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7019949","16.462","0.002","14.6853","0.0016","14.8818","0.0017","90","","90","","90","","3597.7","0.7","291","2","291","2","","","","","","","","6","C m c a","-C 2ac 2","64","","","","- C10 H10 N9 Nd O4 W -","- C10 H10 N9 Nd O4 W -","- C80 H80 N72 Nd8 O32 W8 -","8","","","Zhou, Hu; Diao, Guo-Wang; Qian, Su-Yan; Yang, Xiao-Zhen; Yuan, Ai-Hua; Song, You; Li, Yi-Zhi","Lanthanide-ion-tuned magnetic properties in a series of three-dimensional cyano-bridged Ln(III)W(V) assemblies.","Dalton transactions (Cambridge, England : 2003)","2012","41","35","10690","10697","10.1039/c2dt30615h","","","0.71073","MoKα","","0.0498","0.0307","","","0.0489","0.0514","","","","","","1.035","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7019950","16.4652","0.0015","14.4351","0.0014","14.8544","0.0019","90","","90","","90","","3530.5","0.7","173","2","173","2","","","","","","","","6","C m c a","-C 2ac 2","64","","","","- C10 H10 Eu N9 O4 W -","- C10 H10 Eu N9 O4 W -","- C80 H80 Eu8 N72 O32 W8 -","8","","","Zhou, Hu; Diao, Guo-Wang; Qian, Su-Yan; Yang, Xiao-Zhen; Yuan, Ai-Hua; Song, You; Li, Yi-Zhi","Lanthanide-ion-tuned magnetic properties in a series of three-dimensional cyano-bridged Ln(III)W(V) assemblies.","Dalton transactions (Cambridge, England : 2003)","2012","41","35","10690","10697","10.1039/c2dt30615h","","","0.71073","MoKα","","0.052","0.0379","","","0.0952","0.1023","","","","","","1.078","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7019951","16.4265","0.0018","14.3441","0.0016","14.8343","0.0012","90","","90","","90","","3495.3","0.6","173","2","173","2","","","","","","","","6","C m c a","-C 2ac 2","64","","","","- C10 H10 Gd N9 O4 W -","- C10 H10 Gd N9 O4 W -","- C80 H80 Gd8 N72 O32 W8 -","8","","","Zhou, Hu; Diao, Guo-Wang; Qian, Su-Yan; Yang, Xiao-Zhen; Yuan, Ai-Hua; Song, You; Li, Yi-Zhi","Lanthanide-ion-tuned magnetic properties in a series of three-dimensional cyano-bridged Ln(III)W(V) assemblies.","Dalton transactions (Cambridge, England : 2003)","2012","41","35","10690","10697","10.1039/c2dt30615h","","","0.71073","MoKα","","0.0488","0.0348","","","0.1049","0.1123","","","","","","1.061","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7019953","16.5021","0.0015","14.435","0.002","14.8641","0.0012","90","","90","","90","","3540.7","0.7","173","2","173","2","","","","","","","","6","C m c a","-C 2ac 2","64","","","","- C10 H10 N9 O4 Sm W -","- C10 H10 N9 O4 Sm W -","- C80 H80 N72 O32 Sm8 W8 -","8","","","Zhou, Hu; Diao, Guo-Wang; Qian, Su-Yan; Yang, Xiao-Zhen; Yuan, Ai-Hua; Song, You; Li, Yi-Zhi","Lanthanide-ion-tuned magnetic properties in a series of three-dimensional cyano-bridged Ln(III)W(V) assemblies.","Dalton transactions (Cambridge, England : 2003)","2012","41","35","10690","10697","10.1039/c2dt30615h","","","0.71073","MoKα","","0.0446","0.0335","","","0.0827","0.0859","","","","","","1.09","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7020495","8.5113","0.0007","18.637","0.002","9.9502","0.001","90","","90","","90","","1578.4","0.3","120","2","120","2","","","","","","","","5","C m c a","-C 2ac 2","64","","","","- Co5 F4 H10 O18 P4 -","- Co5 F4 O18 P4 -","- Co20 F16 O72 P16 -","4","","","Armstrong, Jennifer A.; Williams, Edward R.; Weller, Mark T.","Cobalt(ii) fluorophosphate frameworks.","Dalton transactions (Cambridge, England : 2003)","2012","41","46","14180","14187","10.1039/c2dt31734f","","","0.71073","MoKα","","0.1636","0.1116","","","0.1903","0.2093","","","","","","1.172","","","","has coordinates","179908","2020-10-21","18:00:00",""
"7020729","13.432","0.003","12.134","0.003","33.252","0.007","90","","90","","90","","5420","2","273","2","273","2","","","","","","","","7","C m c a","-C 2ac 2","64","","","","- C22 H35 Br F2 Fe N P3 -","- C22 H35 Br F2 Fe N P3 -","- C176 H280 Br8 F16 Fe8 N8 P24 -","8","","","Xu, Xiaofeng; Jia, Jiong; Sun, Hongjian; Liu, Yuxia; Xu, Wengang; Shi, Yujie; Zhang, Dongju; Li, Xiaoyan","Selective activation of C‒F and C‒H bonds with iron complexes, the relevant mechanism study by DFT calculations and study on the chemical properties of hydrido iron complex","Dalton Transactions","2013","42","10","3417","","10.1039/c2dt31795h","","","0.71073","MoKα","","0.0833","0.0625","","","0.1763","0.1952","","","","","","1.045","","","","has coordinates,has disorder","179912","2020-10-21","18:00:00",""
"7020730","13.492","0.007","12.097","0.006","34.022","0.017","90","","90","","90","","5553","5","298","2","298","2","","","","","","","","7","C m c a","-C 2ac 2","64","","","","- C22 H35 F2 Fe I N P3 -","- C22 H35 F2 Fe I N P3 -","- C176 H280 F16 Fe8 I8 N8 P24 -","8","","","Xu, Xiaofeng; Jia, Jiong; Sun, Hongjian; Liu, Yuxia; Xu, Wengang; Shi, Yujie; Zhang, Dongju; Li, Xiaoyan","Selective activation of C‒F and C‒H bonds with iron complexes, the relevant mechanism study by DFT calculations and study on the chemical properties of hydrido iron complex","Dalton Transactions","2013","42","10","3417","","10.1039/c2dt31795h","","","0.71073","MoKα","","0.1667","0.0532","","","0.1121","0.1639","","","","","","0.842","","","","has coordinates,has disorder","179912","2020-10-21","18:00:00",""
"7021055","16.8186","0.0011","18.58","0.0011","17.7923","0.0013","90","","90","","90","","5559.9","0.6","100","2","100","2","","","","","","","","5","C m c a","-C 2ac 2","64","","","","- C37 H24 F2 Ir N3 -","- C37 H24 F2 Ir N3 -","- C296 H192 F16 Ir8 N24 -","8","","","Lepeltier, Marc; Dumur, Frédéric; Marrot, Jérôme; Contal, Emmanuel; Bertin, Denis; Gigmes, Didier; Mayer, Cédric R","Unprecedented combination of regioselective hydrodefluorination and ligand exchange reaction during the syntheses of tris-cyclometalated iridium(iii) complexes.","Dalton transactions (Cambridge, England : 2003)","2013","42","13","4479","4486","10.1039/c2dt32071a","","","0.71073","MoKα","","0.0413","0.0305","","","0.0692","0.076","","","","","","1.039","","","","has coordinates","179915","2020-10-21","18:00:00",""
"7021792","24.1554","0.0012","14.3528","0.0007","21.3467","0.0009","90","","90","","90","","7400.9","0.6","153","2","153","2","","","","","","","","7","C m c a","-C 2ac 2","64","","","","- C80 H68 Cu2 F12 N8 O10 P2 -","- C80 H64 Cu2 F12 N8 O10 P2 -","- C320 H256 Cu8 F48 N32 O40 P8 -","4","","","Saha, Manik Lal; Mahata, Kingsuk; Samanta, Debabrata; Kalsani, Venkateshwarlu; Fan, Jian; Bats, Jan W.; Schmittel, Michael","A phenanthroline-terpyridine hybrid as a chameleon-type ligand in a reversible metallosupramolecular rearrangement.","Dalton transactions (Cambridge, England : 2003)","2013","42","36","12840","12843","10.1039/c3dt51351c","","","0.71073","MoKα","","0.0857","0.0591","","","0.1635","0.177","","","","","","1.047","","","","has coordinates,has disorder","179922","2020-10-21","18:00:00",""
"7021856","13.533","0.004","11.142","0.004","14.62","0.004","90","","90","","90","","2204.5","1.2","120","2","120","2","","","","","","","","6","C m c a","-C 2ac 2","64","","tetrafluoro(methanediylbis(dimethylphosphane) dioxide)germanium(IV)","","- C5 H14 F4 Ge O2 P2 -","- C5 H14 F4 Ge O2 P2 -","- C40 H112 F32 Ge8 O16 P16 -","8","","","George, Kathryn; Hector, Andrew L.; Levason, William; Reid, Gillian; Sanderson, George; Webster, Michael; Zhang, Wenjian","Hypervalent neutral O-donor ligand complexes of silicon tetrafluoride, comparisons with other group 14 tetrafluorides and a search for soft donor ligand complexes.","Dalton transactions (Cambridge, England : 2003)","2011","40","7","1584","1593","10.1039/c0dt01115k","","","0.71073","MoKα","","0.0844","0.0676","","","0.1357","0.146","","","","","","1.116","","","","has coordinates","179923","2020-10-21","18:00:00",""
"7021995","19.246","0.002","14.0507","0.0015","22.037","0.003","90","","90","","90","","5959.2","1.2","90","0.5","90","0.5","","","","","","","","6","C m c a","-C 2ac 2","64","","","","- C56 H64 Cl4 Cu2 N20 O4 -","- C50 H50 Cl4 Cu2 N18 O2 -","- C200 H200 Cl16 Cu8 N72 O8 -","4","","","Pokharel, Uttam R.; Fronczek, Frank R.; Maverick, Andrew W.","Cyclic pyridyltriazole-Cu(ii) dimers as supramolecular hosts.","Dalton transactions (Cambridge, England : 2003)","2013","42","39","14064","14067","10.1039/c3dt52208c","","","0.71073","MoKα","","0.0691","0.0455","","","0.1128","0.1203","","","","","","1.069","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7025648","11.6387","0.0016","13.2354","0.0016","25.08","0.003","90","","90","","90","","3863.4","0.8","173","2","173","2","","","","","","","","5","C m c a","-C 2ac 2","64","ZnOPcpy","","","- C18 H24 N2 O4 Zn -","- C18 H24 N2 O4 Zn -","- C144 H192 N16 O32 Zn8 -","8","","","Boyle, Timothy J.; Raymond, Rebecca; Boye, Daniel M.; Ottley, Leigh Anna M.; Lu, Ping","Structurally characterized luminescent lanthanide zinc carboxylate precursors for Ln-Zn-O nanomaterials.","Dalton transactions (Cambridge, England : 2003)","2010","39","34","8050","8063","10.1039/c002492a","","","0.71073","MoKα","","0.0497","0.0458","","","0.1239","0.1281","","","","","","1.071","","","","has coordinates","179962","2020-10-21","18:00:00",""
"7026992","6.8591","0.0006","20.3967","0.0017","15.5101","0.0013","90","","90","","90","","2169.9","0.3","169","2","169","2","","","","","","","","5","C m c a","-C 2ac 2","64","(o-xylylNC)AuI","","","- C9 H9 Au I N -","- C9 H9 Au I N -","- C72 H72 Au8 I8 N8 -","8","","","Ecken, Holger; Olmstead, Marilyn M.; Noll, Bruce C.; Attar, Saeed; Schlyer, Bruce; Balch, Alan L.","Effects of anions on the solid state structures of linear gold(I) complexes of the type (o-xylyl isocyanide)gold(I) (monoanion)","Journal of the Chemical Society, Dalton Transactions","1998","","22","3715","","10.1039/a805086d","","","0.71073","MoKα","","0.0534","0.0338","","","0.0608","0.0689","","","","","","1.076","","","","has coordinates","179975","2020-10-21","18:00:00",""
"7027564","15.569","0.003","12.603","0.002","16.848","0.002","90","","90","","90","","3305.8","0.9","173","2","173","2","","","","","","","","5","C m c a","-C 2ac 2","64","","","","- C20 H54 Li2 O4 Si6 -","- C20 H54 Li2 O4 Si6 -","- C80 H216 Li8 O16 Si24 -","4","","","Al-Juaid, Salih S.; Eaborn, Colin; El-Hamruni, Salima; Farook, Adam; Hitchcock, Peter B.; Hopman, Martijn; Smith, J. David; Clegg, William; Izod, Keith; O’Shaughnessy, Paul","Tris(triorganosilyl)methyl derivatives of potassium and lithium bearing dimethylamino or methoxy substituents at silicon. Crystal structures of KC(SiMe3)2(SiMe2NMe2), KC(SiMe2NMe2)3 and [LiC(SiMe3)(SiMe2OMe)2]2","Journal of the Chemical Society, Dalton Transactions","1999","","18","3267","","10.1039/a904043i","","","0.71073","MoKα","","0.0757","0.0582","","0.1673","0.1528","","","","1.048","1.09","1.09","","","","","has coordinates","179981","2020-10-21","18:00:00",""
"7028683","11.315","0.0013","11.134","0.002","21.9321","0.0015","90","","90","","90","","2763","0.6","295","2","295","2","","","","","","","","6","C m c a","-C 2ac 2","64","","","","- C8 H24 Br2 I4 N8 S4 -","- C8 H24 Br2 I4 N8 S4 -","- C32 H96 Br8 I16 N32 S16 -","4","","","Biesiada, M.; Kourkoumelis, N.; Kubicki, M.; Owczarzak, A. M.; Balas, V.; Hadjikakou, S. K.","Fundamental chemistry of iodine. The reaction of di-iodine towards thiourea and its methyl-derivative: formation of aminothiazoles and aminothiadiazoles through dicationic disulfides.","Dalton transactions (Cambridge, England : 2003)","2014","43","12","4790","4806","10.1039/c3dt53302f","","","0.7107","MoKα","","0.0743","0.0488","","","0.1199","0.1311","","","","","","1.087","","","","has coordinates","179992","2020-10-21","18:00:00",""
"7029575","20.274","0.008","10.916","0.004","9.67","0.004","90","","90","","90","","2140.1","1.5","113","","113","","","","","","","","","3","C m c a","-C 2ac 2","64","","","","- C30 H14 N2 -","- C30 H14 N2 -","- C120 H56 N8 -","4","","","Suzaki, Yuji; Saito, Takashi; Ide, Tomohito; Osakada, Kohtaro","A rhomboid-shaped organic host molecule with small binding space. Unsymmetrical and symmetrical inclusion of halonium ions.","Dalton transactions (Cambridge, England : 2003)","2014","43","18","6643","6649","10.1039/c3dt53629g","","","0.7107","MoKα","","","0.0479","","","","0.1395","","","","","","0.93","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7029960","10.9296","0.0009","14.1639","0.0012","5.8808","0.0005","90","","90","","90","","910.38","0.13","173","2","173","2","","","","","","","","3","C m c a","-C 2ac 2","64","","","","- Ba2 Ge4 Pd5 -","- Ba2 Ge4 Pd5 -","- Ba8 Ge16 Pd20 -","4","","","Saparov, Bayrammurad; Parker, David S.; Sefat, Athena S.","Crystal and electronic structures of metallic Ba2Pd5Ge4.","Dalton transactions (Cambridge, England : 2003)","2012","41","41","12920","12925","10.1039/c2dt31744c","","","0.71073","MoKα","","0.0148","0.0144","","","0.0322","0.0325","","","","","","1.212","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7029973","17.191","0.004","19.749","0.005","21.205","0.005","90","","90","","90","","7199","3","153","2","153","2","","","","","","","","5","C m c a","-C 2ac 2","64","","","","- C38 H52 Al N2 O2 -","- C38 H52 Al N2 O2 -","- C304 H416 Al8 N16 O16 -","8","","","Hao, Pengfei; Yang, Zhi; Ma, Xiaoli; Wang, Xiujuan; Liu, Zhihong; Roesky, Herbert W.; Sun, Kening; Li, Jiarong; Zhong, Mingdong","Synthesis and characterization of compounds with the Al-O-X (X = Si, P, C) structural motif.","Dalton transactions (Cambridge, England : 2003)","2012","41","43","13520","13524","10.1039/c2dt31872e","","","0.71073","MoKα","","0.0893","0.0695","","","0.1298","0.1382","","","","","","0.998","","","","has coordinates","198632","2020-10-21","18:00:00",""
"7030071","18.834","0.002","6.1565","0.0008","12.8039","0.0016","90","","90","","90","","1484.6","0.3","293","2","293","2","","","","","","","","5","C m c a","-C 2ac 2","64","","","","- Ba4 F4 Ga2 Mn S6 -","- Ba4 F4 Ga2 Mn S6 -","- Ba16 F16 Ga8 Mn4 S24 -","4","","","Luo, Zhong-Zhen; Lin, Chen-Sheng; Cheng, Wen-Dan; Li, Yuan-Bing; Zhang, Hao; Zhang, Wei-Long; He, Zhang-Zhen","Syntheses and characterizations of compounds Ba4F4XGa2S6 (X = Cr, Mn, Fe) and Ba4F4MnIn2S6 with 2D layered structures.","Dalton transactions (Cambridge, England : 2003)","2013","42","27","9938","9945","10.1039/c3dt50483b","","","0.71073","MoKα","","0.051","0.0475","","","0.116","0.1185","","","","","","1.182","","","","has coordinates","180006","2020-10-21","18:00:00",""
"7032577","14.3913","0.0002","14.1131","0.0002","21.5608","0.0003","90","","90","","90","","4379.12","0.11","150","2","150","2","","","","","","","","4","C m c a","-C 2ac 2","64","","","","- C23 H36 Si Zr -","- C23 H36 Si Zr -","- C184 H288 Si8 Zr8 -","8","","","Bauer, Heiko; Glöckner, Andreas; Tagne Kuate, Alain C.; Schäfer, Sebastian; Sun, Yu; Freytag, Matthias; Tamm, Matthias; Walter, Marc D.; Sitzmann, Helmut","How big is a Cp? Novel cycloheptatrienyl zirconium complexes with tri-, tetra- and pentasubstituted cyclopentadienyl ligands.","Dalton transactions (Cambridge, England : 2003)","2014","43","42","15818","15828","10.1039/c4dt01581a","","","1.54184","CuKα","","0.03","0.029","","","0.0794","0.08","","","","","","1.145","","","","has coordinates","180031","2020-10-21","18:00:00",""
"7034840","19.6228","0.0013","14.0896","0.0008","10.9953","0.0005","90","","90","","90","","3040","0.3","293","2","293","2","","","","","","","","6","C m c a","-C 2ac 2","64","","","","- C4 H16 Cs2 I8 N4 Pb3 -","- C4 H16 Cs2 I8 N4 Pb3 -","- C16 H64 Cs8 I32 N16 Pb12 -","4","","","Liu, Guang-Ning; Shi, Jian-Ru; Han, Xiao-Jiang; Zhang, Xiao; Li, Ke; Li, Jie; Zhang, Tao; Liu, Qi-Sheng; Zhang, Zhen-Wei; Li, Cuncheng","A comparison study of aliphatic and aromatic structure directing agents influencing the crystal and electronic structures, and properties of iodoplumbate hybrids: water induced structure conversion and visible light photocatalytic properties.","Dalton transactions (Cambridge, England : 2003)","2015","44","28","12561","12575","10.1039/c5dt00687b","","","0.71073","MoKα","","0.0811","0.0674","","","0.1649","0.1748","","","","","","0.996","","","","has coordinates","211196","2020-10-21","18:00:00",""
"7036394","14.191","","21.044","","15.41","","90","","90","","90","","4601.97","","293","2","293","2","","","","","","","","5","C m c a","-C 2ac 2","64","","","","- C21 H18 Cu2 I2 N4 -","- C21 H18 Cu2 I2 N4 -","- C168 H144 Cu16 I16 N32 -","8","","","Hou, Yun-Long; Li, Sheng-Xia; Sun, Raymond Wai-Yin; Liu, Xin-Yuan; Weng Ng, Seik; Li, Dan","Facile preparation and dual catalytic activity of copper(i)-metallosalen coordination polymers.","Dalton transactions (Cambridge, England : 2003)","2015","44","39","17360","17365","10.1039/c5dt00741k","","","0.71073","MoKα","","0.0297","0.0245","","","0.0587","0.0617","","","","","","0.999","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7051400","12.557","0.003","6.37","0.0013","12.458","0.003","90","","90","","90","","996.5","0.3","293","2","293","2","","","","","","","","4","C m c a","-C 2ac 2","64","","","","- C8 H8 O4 W -","- C8 H8 O4 W -","- C32 H32 O16 W4 -","4","","","","","New Journal of Chemistry","1999","","","","","10.1039/a808621d","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"7052267","16.64","0.001","13.269","0.001","18.77","0.001","90","","90","","90","","4144.3","0.5","200","","","","","","","","","","","5","C m c a","-C 2ac 2","64","","","","- C18 H20 Cl4 Mn N4 -","- C18 H20 Cl4 Mn N4 -","- C144 H160 Cl32 Mn8 N32 -","8","","","Anita Kübel-Pollak; Craig J. Matthews; Simon Verdan; Bernard Bocquet; Xavier Melich; Alan F. Williams; Francine Lavergnat; Pierre-Yves Morgantini; Gérald Bernardinelli","Conformational effects in molecular tectons containing protonated benzimidazole cations","New Journal of Chemistry","2006","30","6","851","","10.1039/b602468h","","","1.5418","CuKα","","","0.046","","","","0.044","","","","","","1.58","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7052559","11.724","0.002","12.829","0.002","11.745","0.002","90","","90","","90","","1766.5","0.5","293","2","293","2","","","","","","","","5","C m c a","-C 2ac 2","64","","","","- C6 H12 Cu I N2 -","- C6 H12 Cu I N2 -","- C48 H96 Cu8 I8 N16 -","8","","","Braga, Dario; Grepioni, Fabrizia; Maini, Lucia; Mazzeo, Paolo P.; Ventura, Barbara","Solid-state reactivity of copper(i) iodide: luminescent 2D-coordination polymers of CuI with saturated bidentate nitrogen bases","New Journal of Chemistry","2011","35","2","339","","10.1039/c0nj00547a","","","0.71073","MoKα","","0.0516","0.0395","","","0.1061","0.1112","","","","","","1.096","","","","has coordinates","180079","2020-10-21","18:00:00",""
"7053135","6.4782","0.0006","26.704","0.002","11.0823","0.001","90","","90","","90","","1917.2","0.3","173","2","173","2","","","","","","","","4","C m c a","-C 2ac 2","64","","","","- C7 H10 N6 O2 -","- C7 H10 N6 O2 -","- C56 H80 N48 O16 -","8","","","Smiglak, Marcin; Hines, C. Corey; Reichert, W. Matthew; Shamshina, Julia L.; Beasley, Preston A.; McCrary, Parker D.; Kelley, Steven P.; Rogers, Robin D.","Azolium azolates from reactions of neutral azoles with 1,3-dimethyl-imidazolium-2-carboxylate, 1,2,3-trimethyl-imidazolium hydrogen carbonate, and N,N-dimethyl-pyrrolidinium hydrogen carbonate","New Journal of Chemistry","2013","37","5","1461","","10.1039/c3nj00147d","","","0.71073","MoKα","","0.0483","0.0406","","","0.1035","0.1085","","","","","","1.082","","","","has coordinates","180085","2020-10-21","18:00:00",""
"7054054","21.9889","0.0003","24.0194","0.0002","18.0882","0.0002","90","","90","","90","","9553.47","0.19","300","2","300","2","","","","","","","","5","C m c a","-C 2ac 2","64","","","","- C87.5 H81.5 N8.5 O26.5 Zn7 -","- C80 H60 N6 O22 Zn7 -","- C320 H240 N24 O88 Zn28 -","4","","","Chen, Kai-Jie; He, Chun-Ting; Liao, Pei-Qin; Wei, Yong-Sheng; Zhang, Peng-Xiang; Xue, Wei; Zhang, Wei-Xiong; Zhang, Jie-Peng; Chen, Xiao-Ming","A flexible, porous, cluster-based Zn-pyrazolate-dicarboxylate framework showing selective adsorption properties","New Journal of Chemistry","2014","38","5","2002","","10.1039/c3nj00918a","","","1.54178","CuKα","","0.0345","0.0334","","","0.1045","0.1058","","","","","","1.028","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7100111","32.686","0.003","20.8976","0.0019","22.154","0.002","90","","90","","90","","15132","2","100","2","100","2","","","","","","","","7","C m c a","-C 2ac 2","64","","","","- C107 H198 Cr9 F10 N Ni O40 -","- C107 Cr9 F10 N Ni O40 -","- C428 Cr36 F40 N4 Ni4 O160 -","4","","","R. Winpenny; Andrei S. Batsanov; Finn Krebs Larsen; Chris Muryn; Jacob Overgaard; S.J. Teat; Grigore A. Timco","Influencing The Nuclearity and Constitution of Heterometallic Rings Via Templates","Chemical Communications","2005","","","","","10.1039/b504912a","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","130149","2020-10-21","18:00:00",""
"7101470","7.0292","0.0008","15.6245","0.0017","16.1876","0.0017","90","","90","","90","","1777.8","0.3","100","2","100","2","","","","","","","","5","C m c a","-C 2ac 2","64","(Zn2(polyox)(pmtz)2)","","","- C6 H3 N6 O2 Zn -","- C7 H3 N6 O3 Zn -","- C56 H24 N48 O24 Zn8 -","8","","","E Colacio; A. Rodriguez-Dieguez","[Znn(polyox)(pmtz)n]: The first polyoxalate containing coordination polymer from an unforeseen chemical rearrangement of 5-pyrimidyl-tetrazole under hydrothermal conditions.","Chemical Communications","2006","","39","","","10.1039/b608403f","","","0.71073","MoKα","","0.084","0.0798","","","0.2239","0.227","","","","","","1.225","","","","has coordinates","180116","2020-10-21","18:00:00",""
"7103209","12.277","0.003","19.785","0.004","26.044","0.005","90","","90","","90","","6326","2","153","2","153","2","","","","","","","","5","C m c a","-C 2ac 2","64","","","","- C64 H36 N4 O20 Re4 -","- C64 H30 N4 O20 Re4 -","- C256 H120 N16 O80 Re16 -","4","","","Liao, Rong-Tang; Yang, Woei-Chyuan; Thanasekaran, P; Tsai, Chen-Chuan; Sathiyendiran, M; Liu, Yen-Hsiang; Rajendran, T; Lin, Hsiu-Mei; Tseng, Tien-Wen; Lu, Kuang-Lieh","Rhenium-based molecular rectangular boxes with large inner cavity and high shape selectivity towards benzene molecule.","Chemical communications (Cambridge, England)","2008","","27","3175","3177","10.1039/b802777c","","","0.71073","MoKα","","0.0688","0.0418","","","0.0933","0.0973","","","","","","0.929","","","","has coordinates","180134","2020-10-21","18:00:00",""
"7104536","35.3141","0.0016","38.768","0.0018","38.5949","0.0017","90","","90","","90","","52839","4","183","2","183","2","","","","","","","","6","C m c a","-C 2ac 2","64","","","","- H426 K34 O549 S13 V32 W72 -","- K26 O533.2 S13 V30 W72 -","- K104 O2132.8 S52 V120 W288 -","4","","","Todea, Ana Maria; Merca, Alice; Bögge, Hartmut; Glaser, Thorsten; Engelhardt, Larry; Prozorov, Ruslan; Luban, Marshall; Müller, Achim","Polyoxotungstates now also with pentagonal units: supramolecular chemistry and tuning of magnetic exchange in {(M)M5}12V30 Keplerates (M = Mo, W).","Chemical communications (Cambridge, England)","2009","34","23","3351","3353","10.1039/b907188a","","","0.71073","MoKα","","0.0903","0.0533","","","0.11","0.1326","","","","","","1.12","","","","has coordinates","180148","2020-10-21","18:00:00",""
"7104559","23.8693","0.0006","25.9927","0.0007","10.8655","0.0003","90","","90","","90","","6741.3","0.3","150","2","150","2","","","","","","","","5","C m c a","-C 2ac 2","64","","","","- C38 H22 N4 O10 Re2 -","- C38 H22 N4 O10 Re2 -","- C304 H176 N32 O80 Re16 -","8","","","Sathiyendiran, Malaichamy; Wu, Jing-Yun; Velayudham, Murugesan; Lee, Gene-Hsiang; Peng, Shie-Ming; Lu, Kuang-Lieh","Neutral metallacyclic rotors.","Chemical communications (Cambridge, England)","2009","34","25","3795","3797","10.1039/b901535c","","","0.71073","MoKα","","0.026","0.0222","","","0.0451","0.0464","","","","","","1.111","","","","has coordinates","180148","2020-10-21","18:00:00",""
"7104745","30.6672","0.0013","14.4533","0.0005","17.3796","0.0006","90","","90","","90","","7703.4","0.5","123","","123","","","","","","","","","8","C m c a","-C 2ac 2","64","","","","- C56 H78 Ba2 Cl6 Fe N14 O10 S6 -","- C56 H78 Ba2 Cl6 Fe N14 O10 S6 -","- C224 H312 Ba8 Cl24 Fe4 N56 O40 S24 -","4","","","Duriska, Martin B; Neville, Suzanne M; Batten, Stuart R","Variable length ligands: a new class of bridging ligands for supramolecular chemistry and crystal engineering.","Chemical communications (Cambridge, England)","2009","34","37","5579","5581","10.1039/b910994c","","","0.71073","MoKα","","0.1291","0.0966","","","0.2112","0.2308","","","","","","1.16","","","","has coordinates,has disorder","180150","2020-10-21","18:00:00",""
"7106906","16.731","0.004","12.77","0.003","16.848","0.004","90","","90","","90","","3599.7","1.5","150","2","150","2","","","","","","","","5","C m c a","-C 2ac 2","64","","","","- C18 H54 Ca O6 Si8 -","- C18 H43.4916 Ca O6 Si8 -","- C72 H173.966 Ca4 O24 Si32 -","4","","","Bryan Carlson; Adelia J. A. Aquino; Louisa J. Hope-Weeks; Bruce Whittlesey; Brian McNerney; William L. Hase; Clemens Krempner","Homoleptic tris(methoxydimethylsilyl)silanides of the alkaline earth metals: first zwitterionic silanides with two naked silyl anions","Chem.Commun.","2011","47","","11089","","10.1039/c1cc13933a","","","0.71073","MoKα","","0.0427","0.0357","","","0.0907","0.0969","","","","","","1.007","","","","has coordinates","180173","2020-10-21","18:00:00",""
"7106908","16.8439","0.0016","12.8565","0.0012","16.9429","0.0016","90","","90","","90","","3669","0.6","150","2","150","2","","","","","","","","5","C m c a","-C 2ac 2","64","","","","- C18 H54 O6 Si8 Sr -","- C17.646 H42.848 O6 Si8 Sr -","- C70.584 H171.392 O24 Si32 Sr4 -","4","","","Bryan Carlson; Adelia J. A. Aquino; Louisa J. Hope-Weeks; Bruce Whittlesey; Brian McNerney; William L. Hase; Clemens Krempner","Homoleptic tris(methoxydimethylsilyl)silanides of the alkaline earth metals: first zwitterionic silanides with two naked silyl anions","Chem.Commun.","2011","47","","11089","","10.1039/c1cc13933a","","","0.71073","MoKα","","0.046","0.0349","","","0.0869","0.095","","","","","","1.028","","","","has coordinates","180173","2020-10-21","18:00:00",""
"7107448","17.975","0.004","22.382","0.009","44.296","0.016","90","","90","","90","","17821","10","150","2","150","2","","","","","","","","7","C m c a","-C 2ac 2","64","","","","- C54 H117 Co Mo12 N6 O40 P -","- C53.5 H116.5 Co Mo12 N6 O40 P -","- C428 H932 Co8 Mo96 N48 O320 P8 -","8","","","Ridla Bakri; Andrew Booth; Gavin Harle; Paul S. Middleton; Corinne Wills; William Clegg; Ross W. Harrington; R. John Errington","Rational addition of capping groups to the phosphomolybdate Keggin anion [PMo<sub>12</sub>O<sub>40</sub>]<sup>3-</sup> by mild, non-aqueous reductive aggregation","Chem. Commun.","2012","48","","2779","","10.1039/c2cc17670j","","","0.71073","MoKα","","0.0607","0.0409","","","0.0782","0.087","","","","","","1.089","","","","has coordinates,has disorder","180178","2020-10-21","18:00:00",""
"7109676","45.5093","0.0011","22.2219","0.0005","17.1211","0.0004","90","","90","","90","","17314.6","0.7","150","2","150","2","","","","","","","","7","C m c a","-C 2ac 2","64","","","","- C90 H62 Cl4 Fe2 N14 O20 S4 -","- C90 H62 Cl4 Fe2 N14 O20 S4 -","- C720 H496 Cl32 Fe16 N112 O160 S32 -","8","","","David J. Cooke; Jasmine M. Cross; Rebecca V. Fennessy; Lindsay P. Harding; Craig R. Rice; Christopher Slater","Steric control of the formation of dinuclear double helicate and dinuclear meso-helicate assemblies","Chem.Commun.","2013","49","","7785","","10.1039/c3cc44611e","","","0.71073","MoKα","","0.1053","0.0549","","","0.1354","0.1586","","","","","","1.019","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7109679","47.3227","0.0017","21.8469","0.0008","17.048","0.0006","90","","90","","90","","17625.1","1.1","150","2","150","2","","","","","","","","7","C m c a","-C 2ac 2","64","","","","- C95.95 H60.51 Cd2 Cl7 N6.95 O18.95 S4 -","- C95.474 H57 Cd2 Cl7 N6.474 O18 S4 -","- C763.792 H456 Cd16 Cl56 N51.792 O144 S32 -","8","","","David J. Cooke; Jasmine M. Cross; Rebecca V. Fennessy; Lindsay P. Harding; Craig R. Rice; Christopher Slater","Steric control of the formation of dinuclear double helicate and dinuclear meso-helicate assemblies","Chem.Commun.","2013","49","","7785","","10.1039/c3cc44611e","","","0.71073","MoKα","","0.0901","0.0546","","","0.1451","0.1674","","","","","","1.046","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7109892","36.284","0.007","14.401","0.003","13.156","0.003","90","","90","","90","","6874","3","273","2","273","2","","","","","","","","4","C m c a","-C 2ac 2","64","","","","- C41 H43 Cl N4 -","- C41 H43 Cl N4 -","- C328 H344 Cl8 N32 -","8","","","Tridib Sarma; Pradeepta K. Panda; Jun-ichiro Setsune","Bis-naphthobipyrrolylmethene derived BODIPY complex: an intense near-infrared fluorescent dye","Chem.Commun.","2013","49","","9806","","10.1039/c3cc44834g","","","0.71073","MoKα","","0.166","0.0674","","","0.1757","0.2223","","","","","","1.022","","","","has coordinates","180204","2020-10-21","18:00:00",""
"7110508","50.075","0.003","56.049","0.004","30.302","0.002","90","","90","","90","","85047","10","183","2","183","2","","","","","","","","5","C m c a","-C 2ac 2","64","","","","- H736 Mo154 Na21 O830 P7 -","- Mo154 Na4 O752 P7 -","- Mo616 Na16 O3008 P28 -","4","","","Müller, Achim; Das, Samar K.; Bögge, Hartmut; Beugholt, Christian; Schmidtmann, Marc","Assembling nanosized ring-shaped synthons to an anionic layer structure based on the synergetically induced functional complementarity of their surface-sites: Na21[MoVI126MoV28O462H14(H2O)54(H2PO2)7]·xH2O (x ≈ 300)","Chemical Communications","1999","","11","1035","","10.1039/a901562k","","","0.71073","MoKα","","0.1625","0.0735","","","0.1783","0.2743","","","","","","1.164","","","","has coordinates","190299","2020-10-21","18:00:00",""
"7110585","14.508","0.009","15.924","0.009","29.018","0.012","90","","90","","90","","6704","6","173","2","173","2","","","","","","","","6","C m c a","-C 2ac 2","64","[PtCl(PMe3)(C15H32O3P3)].2.5(CH2Cl2)","","","- C20.5 H46 Cl6 O3 P4 Pt -","- C20.5 H47 Cl6 O3 P4 Pt -","- C164 H376 Cl48 O24 P32 Pt8 -","8","","","Clendenning, Scott B.; Hitchcock, Peter B.; Nixon, John F.","First η1-ligated 2,4,6-tri-tert-butyl-1,3,5-triphosphabenzene complexes and the remarkable trihydration reaction of trans-[PtCl2(PMe3)(P3C3But3)] to cis-[PtCl(PMe3)(P3O3C3H5But3)], containing the novel CH(But)PH(O)C(But)PH(O)CH(But)P(O) ring system","Chemical Communications","1999","","15","1377","","10.1039/a903745d","","","0.71073","MoKα","","0.0921","0.0746","","","0.1957","0.2088","","","","","","1.12","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7110606","25.654","0.0013","21.227","0.0011","12.7609","0.0006","90","","90","","90","","6949","0.6","299","2","299","2","","","","","","","","4","C m c a","-C 2ac 2","64","[Bert*InCl2]2","","","- C72 H98 Cl4 In2 -","- C72 H98 Cl4 In2 -","- C288 H392 Cl16 In8 -","4","","","Twamley, Brendan; Power, Philip P.","Characterization of 2,6-Trip2H3C6GaCl2, {2,6-Trip2H3C6InCl(μ-Cl)}2 and {2,6-Trip2H3C6GaCl(μ-OH)}2 (Trip = 2,4,6-triisopropylphenyl)","Chemical Communications","1999","","18","1805","","10.1039/a904212a","","","0.71073","MoKα","","0.0876","0.0418","","","0.063","0.0691","","","","","","1.058","","","","has coordinates,has disorder","180220","2020-10-21","18:00:00",""
"7111050","7.4733","0.0015","7.3927","0.0015","22.57","0.004","90","","90","","90","","1246.9","0.4","293","2","293","2","","","","","","","","5","C m c a","-C 2ac 2","64","","","","- C2.5 H2 N0.5 O1.5 W0.5 -","- C2.45 H2.6 N0.5 O1.5 W0.5 -","- C39.2 H41.6 N8 O24 W8 -","16","","","Yan, Bangbo; Xu, Yan; Goh, Ngoh K.; Chia, Lian S.","Hydrothermal synthesis and crystal structures of two novel hybrid open-frameworks and a two-dimensional network based on tungsten(vi) oxides","Chemical Communications","2000","","21","2169","","10.1039/b005303l","","","0.71073","MoKα","","0.0445","0.0336","","","0.0776","0.0811","","","","","","1.047","","","","has coordinates,has disorder","287900","2023-11-30","17:14:42",""
"7111098","19.7081","0.0007","17.9293","0.0006","17.1966","0.0006","90","","90","","90","","6076.5","0.4","173","","173","","","","","","","","","8","C m c a","-C 2ac 2","64","","","","- C42 H32 Cl4 Cu2 F12 N16 O12 S4 -","- C40 H28 Cl4 Cu F11 N16 O11 S2 -","- C160 H112 Cl16 Cu4 F44 N64 O44 S8 -","4","","","Jouaiti, Abdelaziz; Loï, Marielle; Hosseini, Mir Wais; De Cian, André","Metallacyclophanes formed by a tetrapyrazolyl ligand and copper(ii) cation","Chemical Communications","2000","","21","2085","","10.1039/b006665f","","","0.71073","Mo-Kα","","0.116","0.077","","0.299","","0.096","","","4.397","","","1.3","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7112164","21.722","0.004","39.084","0.008","17.966","0.004","90","","90","","90","","15253","5","273","","273.15","","","","","","","","","5","C m c a","-C 2ac 2","64","","","","- C40 H40 Cd2 N4 O8 -","- C40 H40 Cd2 N4 O8 -","- C320 H320 Cd16 N32 O64 -","8","","","Turner, David R.; Hawes, Chris S.; Batten, Stuart R.; Knowles, Gregory P.; Chaffee, Alan L.; Nolvachai, Yada; Kulsing, Chadin; Marriott, Philip J.","Metal-organic frameworks as stationary phases for mixed-mode separation applications","Chem.Commun.","2014","50","","3735","","10.1039/C4CC00933A","","","0.7108","Synchrotron","","0.0964","0.0788","","","0.2379","0.2524","","","","","","0.983","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7114013","28.25","0.0006","26.457","0.0009","41.481","0.0013","90","","90","","90","","31003.3","1.6","110","2","110","2","","","","","","","","5","C m c a","-C 2ac 2","64","","","","- C170 H124 N22 O32 Zn2 -","- C98 H64 N10 O8 Zn2 -","- C784 H512 N80 O64 Zn16 -","8","","","Diskin-Posner, Yael; Patra, Goutam Kumar; Goldberg, Israel","Crystal engineering of metalloporphyrin assemblies. New supramolecular architectures mediated by bipyridyl ligands","Chemical Communications","2002","","13","1420","","10.1039/b202791g","","","0.7107","MoKα","","0.1829","0.078","","","0.1872","0.2219","","","","","","0.823","","","","has coordinates","180254","2020-10-21","18:00:00",""
"7114238","18.1781","0.0011","13.7783","0.0008","13.7565","0.0008","90","","90","","90","","3445.5","0.4","100","1","100","1","","","","","","","","4","C m c a","-C 2ac 2","64","","Catena (mu4-meso-tetrkis(4-pyridyl)porphyrin-iron(II))","","- C40 H24 Fe N8 -","- C40 H24 Fe N8 -","- C160 H96 Fe4 N32 -","4","","","Pan, Long; Kelly, Sean; Huang, Xiaoying; Li, Jing","Unique 2D metalloporphyrin networks constructed from iron(ii) and meso-tetra(4-pyridyl)porphyrin","Chemical Communications","2002","","20","2334","","10.1039/b207855d","","","0.71073","MoKα","","0.0474","0.0416","","","0.0959","0.0993","","","","","","1.006","","","","has coordinates,has disorder","180256","2020-10-21","18:00:00",""
"7114511","32.992","0.003","17.5027","0.0015","12.9431","0.0011","90","","90","","90","","7474","1.1","173","2","173","2","","","","","","","","6","C m c a","-C 2ac 2","64","","N,N-bis-(2-(4-hydroxy)ethyl)-diaza-18crown-6.calcium diiodide","","- C30 H49 Ca I2 N3 O8 -","- C30 H49 Ca I2 N3 O8 -","- C240 H392 Ca8 I16 N24 O64 -","8","","","Hu, Jiaxin; Barbour, Leonard J.; Ferdani, Riccardo; Gokel, George W.","Calcium cation complexation by lariat ether receptors having arene-terminated sidearms","Chemical Communications","2002","","17","1806","","10.1039/b204311b","","","0.71073","MoKα","","0.0402","0.0237","","","0.0535","0.0589","","","","","","1.003","","","","has coordinates","180259","2020-10-21","18:00:00",""
"7114577","16.075","0.005","22.454","0.006","16.949","0.005","90","","90","","90","","6118","3","296","2","296","2","","","","","","","","6","C m c a","-C 2ac 2","64","","","","- C62 H46 F12 Ir2 N8 P2 -","- C62 H42 F12 Ir2 N8 P2 -","- C248 H168 F48 Ir8 N32 P8 -","4","","","Guangfu Li; Yong Wu; Guogang Shan; Weilong Che; Dongxia Zhu; Baiqiao Song; Likai Yan; Zhongmin Su; Martin R. Bryce","New ionic dinuclear Ir(III) Schiff base complexes with aggregation-induced phosphorescent emission (AIPE)","Chem.Commun.","2014","50","","6977","","10.1039/C4CC01799D","","","0.71073","MoKα","","0.0832","0.0583","","","0.1607","0.1772","","","","","","1.052","","","","has coordinates,has disorder","180259","2020-10-21","18:00:00",""
"7114747","12.0729","0.0024","8.6976","0.0028","10.151","0.0025","90","","90","","90","","1065.9","0.5","173","2","173","2","","","","","","","","5","C m c a","-C 2ac 2","64","","","","- C4 H12 Cl4 N2 Pt -","- C4 H12 Cl4 N2 Pt -","- C16 H48 Cl16 N8 Pt4 -","4","","","Angeloni, Alessandro; Orpen, A. Guy","Control of hydrogen bond network dimensionality in tetrachloroplatinate salts","Chemical Communications","2001","","4","343","","10.1039/b009515j","","","0.71073","MoKα","","0.0206","0.016","","","0.0384","0.0389","","","","","","0.994","","","","has coordinates","180261","2020-10-21","18:00:00",""
"7114767","36.847","0.0015","34.9365","0.0015","34.8592","0.0015","90","","90","","90","","44874","3","183","2","183","2","","","","","","","","6","C m c a","-C 2ac 2","64","","","","- C30 H365 Fe30 Mo84 O482 P -","- C24 Fe30 Mo84 O437 P -","- C96 Fe120 Mo336 O1748 P4 -","4","","","Müller, Achim; Das, Samar K.; Bögge, Hartmut; Schmidtmann, Marc; Botar, Alexandru; Patrut, Adrian","Generation of cluster capsules (Ih) from decomposition products of a smaller cluster (Keggin-Td) while surviving ones get encapsulated: species with core‒shell topology formed by a fundamental symmetry-driven reaction","Chemical Communications","2001","","7","657","","10.1039/b009518b","","","0.71073","MoKα","","0.1588","0.0731","","","0.169","0.2235","","","","","","1.022","","","","has coordinates","180261","2020-10-21","18:00:00",""
"7115255","21.4385","0.0017","15.918","0.001","8.3683","0.0005","90","","90","","90","","2855.7","0.3","200","2","200","2","","","","","","","crystal provided by C. Janiak, Uni FR'","5","C m c a","-C 2ac 2","64","Co-BNP-KSCN, Nr. 2943","Di-(2,2'-bis(1,6-naphthyridine))-dithiocyanato-cobalt(II)","","- C34 H20 Co N10 S2 -","- C34 H20 Co N10 S2 -","- C136 H80 Co4 N40 S8 -","4","","","Wu, He-Ping; Janiak, Christoph; Uehlin, Lars; Klüfers, Peter; Mayer, Peter","2,2′-Bi-1,6-naphthyridine metal complexes: a new ligand and a novel 2 ×2 inclined interpenetration of (4,4) nets or formation of helicoidal chains†","Chemical Communications","1998","","23","2637","","10.1039/a807522k","","","0.71073","MoKα","","0.0468","0.0321","","","0.0744","0.0785","","","","","","0.948","","","","has coordinates","180266","2020-10-21","18:00:00",""
"7115256","21.5003","0.0019","15.9253","0.001","8.3967","0.0005","90","","90","","90","","2875","0.4","200","3","200","3","","","","","","","crystal provided by C. Janiak, Uni FR","5","C m c a","-C 2ac 2","64","Zn-BNP-KSCN, Nr. 0751","Bis-(2,2'-di(1,6-naphthyridine))-dithhiocyanato-zinc(II)","","- C34 H20 N10 S2 Zn -","- C34 H20 N10 S2 Zn -","- C136 H80 N40 S8 Zn4 -","4","","","Wu, He-Ping; Janiak, Christoph; Uehlin, Lars; Klüfers, Peter; Mayer, Peter","2,2′-Bi-1,6-naphthyridine metal complexes: a new ligand and a novel 2 ×2 inclined interpenetration of (4,4) nets or formation of helicoidal chains†","Chemical Communications","1998","","23","2637","","10.1039/a807522k","","","0.71073","MoKα","","0.0311","0.0269","","","0.0744","0.0759","","","","","","1.053","","","","has coordinates","180266","2020-10-21","18:00:00",""
"7115257","21.9537","0.0013","16.027","0.0011","8.5477","0.0006","90","","90","","90","","3007.5","0.3","200","3","200","3","","","","","","","crystal provided by C. Janiak, Uni FR","5","C m c a","-C 2ac 2","64","Cd_BNP_KSCN_2941","Bis-(2,2'-di(1,6-naphthyridine))-dithiocyanato-cadmium(II)","","- C34 H20 Cd N10 S2 -","- C34 H20 Cd N10 S2 -","- C136 H80 Cd4 N40 S8 -","4","","","Wu, He-Ping; Janiak, Christoph; Uehlin, Lars; Klüfers, Peter; Mayer, Peter","2,2′-Bi-1,6-naphthyridine metal complexes: a new ligand and a novel 2 ×2 inclined interpenetration of (4,4) nets or formation of helicoidal chains†","Chemical Communications","1998","","23","2637","","10.1039/a807522k","","","0.71073","MoKα","","0.0262","0.0235","","","0.0606","0.0616","","","","","","1.091","","","","has coordinates","180266","2020-10-21","18:00:00",""
"7117224","31.395","0.015","13.702","0.007","15.808","0.008","90","","90","","90","","6800","6","296","2","296","2","","","","","","","","5","C m c a","-C 2ac 2","64","","","","- C36 H21 N4 Ni2 O8 -","- C36 H21 N4 Ni2 O8 -","- C288 H168 N32 Ni16 O64 -","8","","","Jun Zhao; Yenan Wang; Wenwen Dong; Yapan Wu; Dongsheng Li; Bin Liu; Qichun Zhang","A new surfactant-introduction strategy for separating the pure single-phase of metal-organic frameworks","Chem.Commun.","2015","51","","9479","","10.1039/C5cc02043C","","","0.71073","MoKα","","0.0859","0.0699","","","0.1984","0.2111","","","","","","1.1","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7117941","24.2281","0.0011","16.2943","0.0007","25.5184","0.0011","90","","90","","90","","10074.2","0.8","173","2","173","2","","","","","","","","6","C m c a","-C 2ac 2","64","","","","- C37 H53 F18 N7 O6 P3 -","- C37 H53 F18 N7 O6 P3 -","- C296 H424 F144 N56 O48 P24 -","8","","","Mathilde Berville; Lydia Karmazin; Jennifer A. Wytko; Jean Weiss","Viologen cyclophanes: redox controlled host-guest interactions","Chem.Commun.","2015","51","","15772","","10.1039/C5cc06041A","","","0.71073","MoKα","","0.1604","0.1078","","","0.3235","0.3587","","","","","","1.19","","","","has coordinates","169187","2020-10-21","18:00:00",""
"7200638","25.842","0.001","8.5174","0.0003","7.6956","0.0003","90","","90","","90","","1693.85","0.11","293","2","293","2","","","","","","","","5","C m c a","-C 2ac 2","64","bis(cyclopentylammonium)tetrachloroplumbate(ii)","bis(cyclopentylammonium)tetrachloroplumbate(II)","","- C10 H24 Cl4 N2 Pb -","- C10 H24 Cl4 N2 Pb -","- C40 H96 Cl16 N8 Pb4 -","4","","","Billing, David G.; Lemmerer, Andreas","Inorganic‒organic hybrid materials incorporating primary cyclic ammonium cations: The lead bromide and chloride series","CrystEngComm","2009","11","8","1549","","10.1039/b819455f","","","0.71073","MoKα","","0.0522","0.0411","","","0.1052","0.1127","","","","","","1.054","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7200988","6.182","0.003","12.632","0.005","6.436","0.003","90","","90","","90","","502.6","0.4","200","","","","","","","","","","","3","C m c a","-C 2ac 2","64","","","","- Ag F4 K2 -","- Ag F4 K2 -","- Ag4 F16 K8 -","4","","","Mazej, Zoran; Goreshnik, Evgeny; Jagličić, Zvonko; Gaweł, Bartłomiej; Łasocha, Wiesław; Grzybowska, Dorota; Jaroń, Tomasz; Kurzydłowski, Dominik; Malinowski, Przemysław; Koźminski, Wiktor; Szydłowska, Jadwiga; Leszczyński, Piotr; Grochala, Wojciech","KAgF3, K2AgF4 and K3Ag2F7: important steps towards a layered antiferromagnetic fluoroargentate(II),","CrystEngComm","2009","11","8","1702","","10.1039/b902161b","","","0.71069","MoKα","","","0.0306","","","","0.0808","","","","","","1.173","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7201898","11.664","0.003","15.697","0.005","17.263","0.005","90","","90","","90","","3160.7","1.6","293","2","293","2","","","","","","","","5","C m c a","-C 2ac 2","64","","","","- C16 H17 Cu N3 O4 -","- C16 H17 Cu N3 O4 -","- C128 H136 Cu8 N24 O32 -","8","","","Brown, Kyalamboka A.; Martin, David P.; Supkowski, Ronald M.; LaDuca, Robert L.","Two- and three-dimensional divalent metal coordination polymers constructed from 2,2-dimethylsuccinate and dipyridylamine ligands","CrystEngComm","2008","10","7","846","","10.1039/b718790d","","","0.71073","MoKα","","0.0487","0.0449","","","0.107","0.1084","","","","","","1.24","","","","has coordinates","180349","2020-10-21","18:00:00",""
"7202263","6.7148","0.0003","16.6214","0.0006","27.1596","0.001","90","","90","","90","","3031.3","0.2","296","2","296","2","","","","","","","","3","C m c a","-C 2ac 2","64","","","","- C16 H16 O6 -","- C16 H16 O6 -","- C128 H128 O48 -","8","","","Mondal, Pallab; Karmakar, Anirban; Singh, W. Marjit; Baruah, Jubaraj B.","Crystal packing in some flexible carboxylic acids and esters attached to a naphthalene ring","CrystEngComm","2008","10","11","1550","","10.1039/b808399a","","","0.71073","MoKα","","0.1064","0.0676","","","0.1917","0.2404","","","","","","1.158","","","","has coordinates","180353","2020-10-21","18:00:00",""
"7204023","25.495","0.002","9.3495","0.0007","15.859","0.001","89","","89","","90","","3779.1","0.5","198.2","","","","","","","","","","","5","C m c a","-C 2ac 2","64","","","","- C34 H28 Mn N8 S8 -","- C34 H28 Mn N8 S8 -","- C136 H112 Mn4 N32 S32 -","4","","","Ken-ichi Sugiura; Kantaro Ushiroda; Mitchell T. Johnson; Joel S. Miller; Yoshiteru Sakata","Ferrimagnetic ordering of a methylthio-substitutedplanar porphyrin based electron transfer salt, octakis(2,3,7,8,12,13,17,18-methylthio)porphyrinatomanganese(III)tetracyanoethanide","J. Mater. Chem.","2000","10","11","2507","2514","10.1039/b006261h","","","0.7107","MoKα","","","0.0561","","","","0.0634","","","","","","1.856","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7205174","28.339","0.006","25.097","0.005","15.483","0.003","90","","90","","90","","11012","4","293","2","293","2","","","","","","","","5","C m c a","-C 2ac 2","64","","","","- C23 H27 Cu2 N2 O11 -","- C23 H9 Cu2 N2 O11 -","- C368 H144 Cu32 N32 O176 -","16","","","Zhong, Rui-Qin; Zou, Ru-Qiang; Xu, Qiang","Solvent-induced deviation in square-grid layers of microporous Cu(ii) isophthalates: layer stacking and gas adsorption properties","CrystEngComm","2011","13","2","577","","10.1039/c0ce00150c","","","0.71073","MoKα","","0.1063","0.077","","","0.2313","0.2626","","","","","","1.076","","","","has coordinates","180382","2020-10-21","18:00:00",""
"7207326","24.2834","0.0009","20.5803","0.0009","12.6997","0.0004","90","","90","","90","","6346.8","0.4","293","2","293","2","","","","","","","","6","C m c a","-C 2ac 2","64","","","","- C28 H26 N4 Ni O8 S -","- C28 H22 N4 Ni O6 S -","- C224 H176 N32 Ni8 O48 S8 -","8","","","Liu, Guang-Xiang; Xu, Heng; Zhou, Hong; Nishihara, Sadafumi; Ren, Xiao-Ming","Temperature-induced assembly of MOF polymorphs: Syntheses, structures and physical properties","CrystEngComm","2012","14","5","1856","","10.1039/c1ce05369h","","","0.71073","MoKα","","0.1261","0.0534","","","0.0886","0.1004","","","","","","1.026","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7207698","8.9454","0.0007","9.0406","0.0007","12.7473","0.001","90","","90","","90","","1030.9","0.14","223","2","223","2","","","","","","","","5","C m c a","-C 2ac 2","64","","","","- H4 Li O7 P V -","- H4 Li O7 P V -","- H32 Li8 O56 P8 V8 -","8","","","Shahul Hameed, A.; Nagarathinam, Mangayarkarasi; Reddy, M. V.; Chowdari, B. V. R.; Vittal, Jagadese J.","Synthesis and electrochemical studies of layer-structured metastable αI-LiVOPO4","Journal of Materials Chemistry","2012","22","15","7206","","10.1039/c2jm00062h","","","0.71073","MoKα","","0.0252","0.025","","","0.0679","0.0681","","","","","","1.175","","","","has coordinates","180407","2020-10-21","18:00:00",""
"7208244","18.13","0.004","9.0962","0.0018","13.786","0.003","90","","90","","90","","2273.5","0.8","295","2","295","2","","","","","","","","6","C m c a","-C 2ac 2","64","","","","- C6 H8 Li N O8 S2 -","- C6 H8 Li N O8 S2 -","- C48 H64 Li8 N8 O64 S16 -","8","","","Wan, Wang; Zhu, Zhi-Biao; Huo, Li-Hua; Deng, Zhao-Peng; Zhao, Hui; Gao, Shan","Syntheses, structures and luminescent properties of lithium(i)-sulfonate complexes constructed from ortho-hydroxyl arenedisulfonic acids: structural evolution tuned by the pH, coordination geometry and modes","CrystEngComm","2012","14","16","5274","","10.1039/c2ce25292a","","","0.71073","MoKα","","0.0324","0.0309","","","0.0911","0.0922","","","","","","1.084","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7208412","19.346","0.002","24.081","0.003","14.2543","0.0015","90","","90","","90","","6640.7","1.3","273","2","273","2","","","","","","","","5","C m c a","-C 2ac 2","64","","","","- C10 H4 Ca N3 O5 -","- C10 H4 Ca N3 O5 -","- C160 H64 Ca16 N48 O80 -","16","","","Mallick, Arijit; Schön, Eva-Maria; Panda, Tamas; Sreenivas, K.; Díaz, David Díaz; Banerjee, Rahul","Fine-tuning the balance between crystallization and gelation and enhancement of CO2 uptake on functionalized calcium based MOFs and metallogels","Journal of Materials Chemistry","2012","22","30","14951","","10.1039/c2jm30866e","","","0.71073","MoKα","","0.0642","0.0567","","","0.1671","0.1728","","","","","","1.083","","","","has coordinates","180415","2020-10-21","18:00:00",""
"7208736","16.4467","0.0011","7.9431","0.0004","26.0004","0.0019","90","","90","","90","","3396.6","0.4","173","2","173","2","","","","","","","","4","C m c a","-C 2ac 2","64","","","","- C19 H23 N2 S2 -","- C19 H23 N2 S2 -","- C152 H184 N16 S16 -","8","","","Park, Sunhong; Lee, Seul-Gi; Jung, Jong Hwa; Ikeda, Mari; Habata, Yoichi; Lee, Shim Sun","Macrocycles incorporating isomeric arms: synthesis and crystal structures of ligands and their mono-, di- and polynuclear supramolecular complexes","CrystEngComm","2012","14","20","6515","","10.1039/c2ce25708d","","","0.71073","MoKα","","0.1661","0.1384","","","0.3609","0.3854","","","","","","1.768","","","","has coordinates","180418","2020-10-21","18:00:00",""
"7209972","49.033","0.002","8.9877","0.0003","18.4357","0.0006","90","","90","","90","","8124.5","0.5","150","2","150","2","","","","","","","","6","C m c a","-C 2ac 2","64","","","","- C80 H78 Cd Cl2 N14 O18 -","- C80 H80 Cd Cl2 N14 O18 -","- C320 H320 Cd4 Cl8 N56 O72 -","4","","","Tzeng, Biing-Chiau; Chao, An; Selvam, TamilSelvi; Chang, Tsung-Yi","Polyrotaxane frameworks containing N,N′,N′′-(4,4′,4′′-nitrilotris(4,1-phenylene))triisonicotinamide: structural and luminescent properties","CrystEngComm","2013","15","26","5337","","10.1039/c3ce40558c","","","0.71073","MoKα","","0.1186","0.0712","","","0.1952","0.2251","","","","","","1.031","","","","has coordinates,has disorder","180430","2020-10-21","18:00:00",""
"7209973","49.17","0.004","9.0156","0.0007","18.0678","0.0015","90","","90","","90","","8009.4","1.1","150","2","150","2","","","","","","","","6","C m c a","-C 2ac 2","64","","","","- C80 H78 Cl2 N14 O18 Zn -","- C80 H78 Cl2 N14 O18 Zn -","- C320 H312 Cl8 N56 O72 Zn4 -","4","","","Tzeng, Biing-Chiau; Chao, An; Selvam, TamilSelvi; Chang, Tsung-Yi","Polyrotaxane frameworks containing N,N′,N′′-(4,4′,4′′-nitrilotris(4,1-phenylene))triisonicotinamide: structural and luminescent properties","CrystEngComm","2013","15","26","5337","","10.1039/c3ce40558c","","","0.71073","MoKα","","0.1246","0.11","","","0.3009","0.3135","","","","","","1.235","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7210198","32.197","0.004","15.2214","0.0016","11.3816","0.0012","90","","90","","90","","5577.9","1.1","120","2","120","2","","","","","","","","5","C m c a","-C 2ac 2","64","Co-bpy-mellitate","","","- C11 H11.5 Co N O9.27 -","- C11 H11 Co N O9.266 -","- C176 H176 Co16 N16 O148.256 -","16","","","Li, Meng-Yuan; Sevov, Slavi C.","Mellitate-based coordination polymers with a recurring motif: controlling dimensionality with secondary ligands","CrystEngComm","2013","15","25","5107","","10.1039/c3ce40442k","","","0.71073","MoKα","","0.0513","0.0353","","","0.0849","0.0927","","","","","","1.04","","","","has coordinates","180432","2020-10-21","18:00:00",""
"7210677","21.1177","0.0016","14.9308","0.0011","8.8929","0.0007","90","","90","","90","","2804","0.4","293","2","293","2","","","","","","","","5","C m c a","-C 2ac 2","64","","","","- C26 H16 Mn N14 S2 -","- C26 H16 Mn N14 S2 -","- C104 H64 Mn4 N56 S8 -","4","","","Seth, Piya; Bauzá, Antonio; Frontera, Antonio; Massera, Chiara; Gamez, Patrick; Ghosh, Ashutosh","Analysis of the contribution of the π-acidity of the s-tetrazine ring in the crystal packing of coordination polymers","CrystEngComm","2013","15","15","3031","","10.1039/c3ce00058c","","","0.71073","MoKα","","0.0595","0.0379","","","0.092","0.1029","","","","","","1.037","","","","has coordinates","180437","2020-10-21","18:00:00",""
"7211851","21.5","0.017","27.568","0.017","7.428","0.005","90","","90","","90","","4403","5","293","2","293","2","","","","","","","","5","C m c a","-C 2ac 2","64","","","","- C9 H10 Br Cu N4 -","- C9 H10.5 Br Cu N4 -","- C144 H168 Br16 Cu16 N64 -","16","","","Jin, Chuan-Ming; Zhu, Zhu; Yao, Ming-Xia; Meng, Xiang-Gao","In situ reduction from CuX2 (X = Br, Cl) to Cu(I) halide clusters based on ligand bis(2-methylimidazo-1-yl)methane","CrystEngComm","2010","12","2","358","","10.1039/b915584h","","","0.71073","MoKα","","0.1361","0.0917","","","0.2555","0.2718","","","","","","1.086","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7213966","18.884","0.004","16.206","0.003","10.375","0.002","90","","90","","90","","3175.1","1.1","298","2","298","2","","","","","","","","5","C m c a","-C 2ac 2","64","","","","- C18 H12 N O4 Zn -","- C18 H12 N O4 Zn -","- C144 H96 N8 O32 Zn8 -","8","","","Li, Ni-Ya; Ge, Yu; Wang, Tao; Wang, Shu-Jun; Ji, Xue-Ying; Liu, Dong","Construction of a series of coordination polymers based on 1,4-naphthalenedicarboxylic and flexible dipyridyl ligands","CrystEngComm","2014","16","11","2168","","10.1039/c3ce42148a","","","0.71073","MoKα","","0.0754","0.0716","","","0.1798","0.184","","","","","","1.067","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7214221","24.711","0.002","6.8871","0.0004","10.9942","0.0006","90","","90","","90","","1871.1","0.2","293","2","293","2","","","","","","","","4","C m c a","-C 2ac 2","64","","","","- C7 H12 Mn O5 -","- C7 H12 Mn O5 -","- C56 H96 Mn8 O40 -","8","","","Déniz, Mariadel; Hernández-Rodríguez, Irene; Pasán, Jorge; Fabelo, Oscar; Cañadillas-Delgado, Laura; Vallejo, Julia; Julve, Miguel; Lloret, Francesc; Ruiz-Pérez, Catalina","Syntheses, crystal structures and magnetic properties of five new manganese(ii) complexes: influence of the conformation of different alkyl/aryl substituted malonate ligands on the crystal packing","CrystEngComm","2014","16","13","2766","","10.1039/c3ce42086h","","x-ray","0.71073","MoKα","","0.0435","0.0349","","","0.0806","0.0867","","","","","","1.091","","","","has coordinates","180473","2020-10-21","18:00:00",""
"7214563","42.216","0.002","17.4513","0.0007","20.096","0.0009","90","","90","","90","","14805.2","1.1","173","2","173","2","","","","","","","","7","C m c a","-C 2ac 2","64","","","","- C66 H56 B2 Cu2 F8 N8 P2 -","- C66 H56 B Cu2 F4 N8 P2 -","- C528 H448 B8 Cu16 F32 N64 P16 -","8","","","Lin, Yu-Mei; Lei, Zhen; Chang, Shan-Shan; Wang, Quan-Ming","Directed formation of tri-connected Cu(i) coordination polymers","CrystEngComm","2013","15","45","9372","","10.1039/c3ce41101j","","","0.71073","MoKα","","0.2079","0.0949","","","0.245","0.2938","","","","","","0.691","","","","has coordinates","180476","2020-10-21","18:00:00",""
"7214626","15.5337","0.0004","9.8251","0.0003","16.7644","0.0005","90","","90","","90","","2558.59","0.13","293","2","293","2","","","","","","","","5","C m c a","-C 2ac 2","64","","","","- C18 H36 Co2 N2 O14 -","- C18 Co2 N2 O14 -","- C72 Co8 N8 O56 -","4","","","Duan, Chunmei; Luo, Daibing; Zeng, Hongmei; Kang, Maoping; Lin, Zhien","Solvent-free synthesis of new open-framework oxalate structures","CrystEngComm","2012","14","18","5734","","10.1039/c2ce25856k","","","0.71073","MoKα","","0.0487","0.0417","","","0.1309","0.1368","","","","","","1.123","","","","has coordinates","180477","2020-10-21","18:00:00",""
"7216406","14.0828","0.0008","23.9967","0.0012","37.1516","0.0019","90","","90","","90","","12555","1.1","293","2","293","2","","","","","","","","5","C m c a","-C 2ac 2","64","","","","- C63 H75 N11 O12 Zn2 -","- C63 H64 N11 O12 Zn2 -","- C504 H512 N88 O96 Zn16 -","8","","","Guo, Huadong; Guo, Xianmin; Zou, Hengye; Qi, Yanjuan; Chen, Ruizhan; Zhao, Lun; Liu, Chunming","A series of coordination polymers assembled from 9,9-dimethylfluorene-2,7-dicarboxylic acid and various flexible bis(imidazole) ligands: synthesis, structures and properties","CrystEngComm","2014","16","32","7459","","10.1039/C4CE00664J","","","0.71073","MoKα","","0.1154","0.0674","","","0.1779","0.207","","","","","","1.056","","","","has coordinates","180495","2020-10-21","18:00:00",""
"7218131","32.932","0.007","7.9668","0.0016","15.275","0.003","90","","90","","90","","4007.6","1.4","100","2","100","2","","","","","","","","5","C m c a","-C 2ac 2","64","","","","- C18 H23 N3 O4 S2 -","- C18 H23 N3 O4 S2 -","- C144 H184 N24 O32 S16 -","8","","","Ostasz, A.; Łyszczek, R.; Mazur, L.; Tarasiuk, B.","Co-crystal formation between 2-amino-4,6-dimethylpyrimidine and new p-xylylene-bis(thioacetic) acid","CrystEngComm","2014","16","44","10262","","10.1039/C4CE01567C","","","0.71073","MoKα","","0.0576","0.0351","","","0.0758","0.0806","","","","","","0.903","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7219267","15.1811","0.0006","20.4878","0.0009","39.3306","0.0011","90","","90","","90","","12232.9","0.8","100","2","100","2","","","","","","","","7","C m c a","-C 2ac 2","64","","","","- C62.6 H69.9 Cl Co4 N1.3 O12 S4 -","- C62.6 H43.1 Cl Co4 N1.3 O12 S4 -","- C500.8 H344.8 Cl8 Co32 N10.4 O96 S32 -","8","","","Su, Kongzhao; Jiang, Feilong; Qian, Jinjie; Pang, Jiandong; Hu, Falu; Bawaked, Salem M.; Mokhtar, Mohamed; Al-Thabaiti, Shaeel A.; Hong, Maochun","Bridging different Co4‒calix[4]arene building blocks into grids, cages and 2D polymers with chiral camphoric acid","CrystEngComm","2015","17","8","1750","","10.1039/C4CE02186J","","","1.54184","CuKα","","0.1084","0.0869","","","0.2359","0.2581","","","","","","1.065","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7220331","26.648","0.003","14.3871","0.0011","15.1191","0.001","90","","90","","90","","5796.5","0.9","173","2","173","2","","","","","","","","6","C m c a","-C 2ac 2","64","","","","- C36 H21 Cl2 Cu N3 O6 -","- C36 H21 Cl2 Cu N3 O6 -","- C288 H168 Cl16 Cu8 N24 O48 -","8","","","Kim, Byung Joo; Lee, Haeri; Noh, Tae Hwan; Jung, Ok-Sang","Interfacial effects of crystal surface through free quinolinyl groups on crystal organization and catalysis","CrystEngComm","2015","17","23","4281","","10.1039/C5CE00527B","","","0.71073","MoKα","","0.2665","0.2272","","","0.5573","0.5743","","","","","","2.242","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7220332","26.8621","0.0018","14.5732","0.0008","15.1408","0.0007","90","","90","","90","","5927.1","0.6","173","2","173","2","","","","","","","","6","C m c a","-C 2ac 2","64","","","","- C36 H21 Br2 Cu N3 O6 -","- C36 H21 Br2 Cu N3 O6 -","- C288 H168 Br16 Cu8 N24 O48 -","8","","","Kim, Byung Joo; Lee, Haeri; Noh, Tae Hwan; Jung, Ok-Sang","Interfacial effects of crystal surface through free quinolinyl groups on crystal organization and catalysis","CrystEngComm","2015","17","23","4281","","10.1039/C5CE00527B","","","0.71073","MoKα","","0.2463","0.2047","","","0.5611","0.577","","","","","","2.353","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7220333","26.7895","0.0007","14.5479","0.0004","15.1124","0.0005","90","","90","","90","","5889.8","0.3","173","2","173","2","","","","","","","","6","C m c a","-C 2ac 2","64","","","","- C36 H23 Cl2 Hg N3 O7 -","- C36 H23 Cl2 Hg N3 O7 -","- C288 H184 Cl16 Hg8 N24 O56 -","8","","","Kim, Byung Joo; Lee, Haeri; Noh, Tae Hwan; Jung, Ok-Sang","Interfacial effects of crystal surface through free quinolinyl groups on crystal organization and catalysis","CrystEngComm","2015","17","23","4281","","10.1039/C5CE00527B","","","0.71073","MoKα","","0.1824","0.1633","","","0.5056","0.52","","","","","","2.395","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7220334","26.8929","0.0009","14.6597","0.0004","15.0879","0.0004","90","","90","","90","","5948.3","0.3","173","2","173","2","","","","","","","","6","C m c a","-C 2ac 2","64","","","","- C36 H21 Br2 Hg N3 O6 -","- C36 H21 Br2 Hg N3 O6 -","- C288 H168 Br16 Hg8 N24 O48 -","8","","","Kim, Byung Joo; Lee, Haeri; Noh, Tae Hwan; Jung, Ok-Sang","Interfacial effects of crystal surface through free quinolinyl groups on crystal organization and catalysis","CrystEngComm","2015","17","23","4281","","10.1039/C5CE00527B","","","0.71073","MoKα","","0.1675","0.1384","","","0.4497","0.4686","","","","","","1.986","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7220517","40.0943","0.0008","17.9485","0.0004","31.3076","0.0008","90","","90","","90","","22530","0.9","100","2","100","2","","","","","","","","4","C m c a","-C 2ac 2","64","C-methylpyrogallol[4]arene with pyronin Y","","","- C50.35 H68.5 N1.5 O21.85 -","- C50.25 H61.5 N1.5 O21.75 -","- C804 H984 N24 O348 -","16","","","Pfeiffer, Constance R.; Fowler, Drew A.; Atwood, Jerry L.","Establishing trends based on solvent system changes in cocrystals containing pyrogallol[4]arenes and fluorescent probes rhodamine B and pyronin Y","CrystEngComm","2015","17","24","4475","","10.1039/C5CE00771B","","","1.54178","CuKα","","0.1373","0.1235","","","0.4038","0.4302","","","","","","2.039","","","","has coordinates,has disorder","176429","2020-10-21","18:00:00",""
"7221242","15.792","","5.915","","5.814","","90","","90","","90","","543.084","","","","","","","","","","","","","3","C m c a","-C 2ac 2","64","","","","- Ba2 Cu F6 -","- Ba2 Cu F6 -","- Ba8 Cu4 F24 -","4","","","Reinen, D.; Weitzel, H.","Eine Verfeinerung der Ba2 Cu F6 - Struktur. Neutronenbeugungsuntersuchung am Kristallpulver","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (2,1947-32,1977)","1977","32","","476","478","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"7222180","16.57","","11.15","","11.458","","90","","90","","90","","2116.93","","","","","","","","","","","","","4","C m c a","-C 2ac 2","64","","Sr Li2 (Ti6 O14)","","- Li2 O14 Sr Ti6 -","- Li2 O14 Sr Ti6 -","- Li16 O112 Sr8 Ti48 -","8","","","Koseva, I.; Chaminade, J.P.; Peshev, P.; Gravereau, P.; Pechev, S.","A new strontium lithium titanium oxide, Sr Li2 Ti6 O14: crystal growth and structure determination","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-)","2002","57","","512","518","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7222766","14.681","","11.715","","12.66","","90","","90","","90","","2177.37","","","","","","","","","","","","","4","C m c a","-C 2ac 2","64","","Tl5 (C O3)2 (C N)","","- C3 N O6 Tl5 -","- C3 N O6 Tl5 -","- C24 N8 O48 Tl40 -","8","","","Reckeweg, O.; Simon, A.","X-ray and Raman investigations on cyanides of mono- and divalent metals and synthesis, crystal structure and Raman spectrum of Tl5 (C O3)2 (C N)","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-)","2002","57","","895","900","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7222927","12.201","","13.292","","13.695","","90","","90","","90","","2221","","","","","","","","","","","","","5","C m c a","-C 2ac 2","64","","Ca Hg Br4 (H2 O)8","","- Br4 Ca H16 Hg O8 -","- Br4 Ca H16 Hg O8 -","- Br32 Ca8 H128 Hg8 O64 -","8","","","Thiele, G.; Putzas, D.","Antiprismatische und dodekaedrische Octaaquokationen von Calcium und Strontium in den Kristallstrukturen von Teterahalogencadmaten und -mercuraten","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-)","1988","43","","1224","1234","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"8100654","8.142","0.002","7.98","0.002","21.829","0.003","90","","90","","90","","1418.3","0.5","293","2","293","2","","","","","","","","3","C m c a","-C 2ac 2","64","","","","- Ge6 Pd Yb2 -","- Ge6 Pd Yb2 -","- Ge48 Pd8 Yb16 -","8","","","Fornasini, Maria L.; Manfrinetti, Pietro; Palenzona, Andrea","Crystal structure of diytterbium palladium hexagermanide, Yb~2~PdGe~6~","Zeitschrift für Kristallographie - New Crystal Structures","2002","217","2","173","174","","","","","","","","0.0268","","","0.0603","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"8101316","23.1511","0.0004","8.6277","0.0001","8.6536","0.0002","90","","90","","90","","1728.48","0.05","170","2","170","2","","","","","","","","3","C m c a","-C 2ac 2","64","","","","- K4 Sn2 Te6 -","- K4 Sn2 Te6 -","- K16 Sn8 Te24 -","4","","","Evenson, IV, Carl R.; Dorhout, Peter K.","Crystal structure of tetrapotassium hexatellurodistannate, K~4~Sn~2~Te~6~","Zeitschrift für Kristallographie - New Crystal Structures","2000","215","3","318","318","","","","","","","","0.0302","","","0.065","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"8102883","15.925","0.002","11.59","0.001","11.232","0.001","90","","90","","90","","2073.1","0.4","293","2","293","2","","","","","","","","3","C m c a","-C 2ac 2","64","","diytterbium pentadecanickel nonaboride","","- B9 Ni15 Yb2 -","- B9 Ni15 Yb2 -","- B72 Ni120 Yb16 -","8","","","V. Babizhetskyy; I. Veremchuk; N. Chaban; Yu. Kuz'ma","Crystal structure of diytterbium pentadecanickel nonaboride, Yb~2~Ni~15~B~9~","Zeitschrift für Kristallographie - New Crystal Structures","2005","220","1","1","2","10.1524/ncrs.2005.220.14.1","","","0.71069","MoKα","","0.0501","0.0333","","","0.0514","0.0544","","","","","","1.099","","","","has coordinates","176728","2020-10-21","18:00:00",""
"8103440","15.753","","7.291","","7.319","","90","","90","","90","","840.625","","","","","","","","","","","","","4","C m c a","-C 2ac 2","64","","Ba4 (B N2)2 O","","- B2 Ba4 N4 O -","- B2 Ba4 N4 O -","- B8 Ba16 N16 O4 -","4","","","Curda, J.; Somer, M.; von Schnering, H.G.; Peters, K.; Herterich, U.","Crystal structure of tetrabarium bis(dinitridoborate) monoxide, Ba4(BN2)2O","Zeitschrift fuer Kristallographie (149,1979-)","1994","209","","181","181","","","","","","","","","","","","","","","","","","","","","","has coordinates","176466","2020-10-21","18:00:00",""
"8103544","5.783","","13.368","","13.129","","90","","90","","90","","1014.97","","","","","","","","","","","","","4","C m c a","-C 2ac 2","64","","Ba4 (Ti1.81 Pt0.19) Pt O10","","- Ba4 O10 Pt1.19 Ti1.81 -","- Ba4 O10 Pt1.19 Ti1.81 -","- Ba16 O40 Pt4.76 Ti7.24 -","4","","","Fischer, R.; Tillmanns, E.","Synthese und Kristallstruktur von zwei Bariumtitanplatinoxiden Ba (Ti, Pt) O3 und Ba4 (Ti, Pt)2 Pt O10","Zeitschrift fuer Kristallographie (149,1979-)","1981","157","","69","81","","","","","","","","","","","","","","","","","","","","","","has coordinates","145111","2020-10-21","18:00:00",""
"8103692","7.4422","","18.5324","","19.1877","","90","","90","","90","","2646.4","","","","","","","","","","","","","3","C m c a","-C 2ac 2","64","","Al15.68 (Si41.1 Al6.9) O96","","- Al22.58 O96 Si41.1 -","- Al22.58 O96 Si41.1 -","- Al22.58 O96 Si41.1 -","1","","","Dorset, D.L.; Roth, W.L.; Kennedy, G.J.; Dhingra, S.S.","Crystal structure of MCM-71 - a new zeolite in the mordenite group","Zeitschrift fuer Kristallographie (149,1979-)","2008","223","","456","460","","","","","","","","","","","","","","","","","","","","","","has coordinates","150683","2020-10-21","18:00:00",""
"8103873","14.063","","13.177","","11.57","","90","","90","","90","","2144.01","","","","","","","","","","","","","2","C m c a","-C 2ac 2","64","","Ta6 Br14","","- Br14 Ta6 -","- Br14 Ta6 -","- Br56 Ta24 -","4","","","Bajan, B.; Meyer, H.J.","Crystal structure of tantalum bromide,Ta6 Br14","Zeitschrift fuer Kristallographie (149,1979-)","1995","210","","607","607","","","","","","","","","","","","","","","","","","","","","","has coordinates","161770","2020-10-21","18:00:00",""
"8103894","12.4451","","15.2431","","6.2317","","90","","90","","90","","1182.17","","","","","","","","","","","","","4","C m c a","-C 2ac 2","64","","K2 Li (Ga As2)","","- As2 Ga K2 Li -","- As2 Ga K2 Li -","- As16 Ga8 K16 Li8 -","8","","","Somer, M.; Carrillo-Cabrera, W.; Peters, E.M.; Peters, K.; von Schnering, H.G.","Crystal structure of dipotassium lithium diarsenidogallate, K2 Li Ga As2","Zeitschrift fuer Kristallographie (149,1979-)","1995","210","","528","528","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"8103900","11.566","","13.592","","5.801","","90","","90","","90","","911.947","","","","","","","","","","","","","4","C m c a","-C 2ac 2","64","","Na2 Li (Al P2)","","- Al Li Na2 P2 -","- Al Li Na2 P2 -","- Al8 Li8 Na16 P16 -","8","","","Somer, M.; Carrillo-Cabrera, W.; Peters, E.M.; Peters, K.; von Schnering, H.G.","Crystal structure of disodium lithium diphosphidoaluminate Na2 Li (Al P2)","Zeitschrift fuer Kristallographie (149,1979-)","1995","210","","778","778","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"8103903","12.051","","14.034","","5.908","","90","","90","","90","","999.183","","","","","","","","","","","","","4","C m c a","-C 2ac 2","64","","Na2 Li (Ga As2)","","- As2 Ga Li Na2 -","- As2 Ga Li Na2 -","- As16 Ga8 Li8 Na16 -","8","","","Somer, M.; Carrillo-Cabrera, W.; Peters, E.M.; Peters, K.; von Schnering, H.G.","Crystal structure of disodium lithium diarsenidogallate, Na2 Li Ga As2","Zeitschrift fuer Kristallographie (149,1979-)","1995","210","","877","877","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"8103904","12.853","","15.514","","6.392","","90","","90","","90","","1274.57","","","","","","","","","","","","","4","C m c a","-C 2ac 2","64","","K2 Li (In As2)","","- As2 In K2 Li -","- As2 In K2 Li -","- As16 In8 K16 Li8 -","8","","","Somer, M.; Carrillo-Cabrera, W.; von Schnering, H.G.; Peters, K.; Peters, E.M.","Crystal structure of dipotassium lithium diarsenidoindate, K2 Li In As2","Zeitschrift fuer Kristallographie (149,1979-)","1995","210","","959","959","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"8103906","18.5434","","6.3349","","12.276","","90","","90","","90","","1442.07","","","","","","","","","","","","","3","C m c a","-C 2ac 2","64","","Eu6 (P2 (Ga P2)2)","","- Eu6 Ga2 P6 -","- Eu6 Ga2 P6 -","- Eu24 Ga8 P24 -","4","","","Somer, M.; Carrillo-Cabrera, W.; von Schnering, H.G.; Peters, K.; Cordier, G.","Crystal structure of hexaeuropium di-mue-phosphido-bis(diphosphidogallate(III)),Eu6 Ga2 P6","Zeitschrift fuer Kristallographie (149,1979-)","1996","211","","257","257","","","","","","","","","","","","","","","","","","","","","","has coordinates","162217","2020-10-21","18:00:00",""
"8104067","6.05","","11.449","","8.305","","90","","90","","90","","575.258","","","","","","","","","","","","","4","C m c a","-C 2ac 2","64","","Mg2 Co (V O4)2","","- Co Mg2 O8 V2 -","- Co1.04 Mg1.96 O8 V2 -","- Co4.16 Mg7.84 O32 V8 -","4","","","Wang, P.-L.; Werner, P.E.; Nord, A.G.","Cation distribution studies of Mg, Co and Co, Ni orthovanadate solid solutions","Zeitschrift fuer Kristallographie (149,1979-)","1992","198","","271","276","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"8104068","6.045","","11.475","","8.306","","90","","90","","90","","576.157","","","","","","","","","","","","","4","C m c a","-C 2ac 2","64","","(Mg1.12 Co1.88) (V O4)2","","- Co1.88 Mg1.12 O8 V2 -","- Co1.88 Mg1.12 O8 V2 -","- Co7.52 Mg4.48 O32 V8 -","4","","","Wang, P.-L.; Werner, P.E.; Nord, A.G.","Cation distribution studies of Mg, Co and Co, Ni orthovanadate solid solutions","Zeitschrift fuer Kristallographie (149,1979-)","1992","198","","271","276","","","","","","","","","","","","","","","","","","","","","","has coordinates","163874","2020-10-21","18:00:00",""
"8104069","5.987","","11.437","","8.272","","90","","90","","90","","566.411","","","","","","","","","","","","","4","C m c a","-C 2ac 2","64","","(Co1.5 Ni1.5) (V O4)2","","- Co1.5 Ni1.5 O8 V2 -","- Co1.54 Ni1.46 O8 V2 -","- Co6.16 Ni5.84 O32 V8 -","4","","","Wang, P.-L.; Werner, P.E.; Nord, A.G.","Cation distribution studies of Mg, Co and Co, Ni orthovanadate solid solutions","Zeitschrift fuer Kristallographie (149,1979-)","1992","198","","271","276","","","","","","","","","","","","","","","","","","","","","","has coordinates","163878","2020-10-21","18:00:00",""
"8104116","19.475","","6.708","","13.017","","90","","90","","90","","1700.52","","","","","","","","","","","","","3","C m c a","-C 2ac 2","64","","Ba6 (P2 (Ga P2)2)","","- Ba6 Ga2 P6 -","- Ba6 Ga2 P6 -","- Ba24 Ga8 P24 -","4","","","Peters, K.; Carrillo-Cabrera, W.; Somer, M.; von Schnering, H.G.","Crystal structure of hexabarium di-mue-phosphidobis(diphosphidogallate(III)), Ba6 (Ga2 P6)","Zeitschrift fuer Kristallographie (149,1979-)","1996","211","","53","53","","","","","","","","","","","","","","","","","","","","","","has coordinates","164287","2020-10-21","18:00:00",""
"8104301","4.5167","","7.6448","","4.5107","","90","","90","","90","","155.751","","","","","","","","","","","","","1","C m c a","-C 2ac 2","64","","","","- Ga -","- Ga -","- Ga8 -","8","","","Bradley, A.J.","The crystal structure of gallium","Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977)","1935","91","","302","316","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"9004757","14.252","","8.7748","","17.1863","","90","","90","","90","","2149.29","","","","","","","","","","","","","4","C m c a","-C 2ac 2","64","","","Zippeite","- N2 O10 S U2 -","- N2 O10 S U2 -","- N16 O80 S8 U16 -","8","","","Burns, P. C.; Deely, K. M.; Hayden, L. A.","The crystal chemistry of the zippeite group Sample: SZIPPNH4II","The Canadian Mineralogist","2003","41","","687","706","10.2113/gscanmin.41.3.687","","","","","","","","","","","","","","","","","","","","","has coordinates","283960","2023-05-23","08:42:07",""
"9005266","13.698","","25.213","","22.66","","90","","90","","90","","7826.03","","","","","","","","","","","","","9","C m c a","-C 2ac 2","64","","","Gottardiite","- Al2.346 Ca0.605 Fe0.017 H34 K0.022 Mg0.391 Na0.316 O45.601 Si14.637 -","- Al2.346 Ca0.6052 Fe0.017 H23.2016 K0.0221 Mg0.391 Na0.3162 O45.6008 Si14.637 -","- Al18.768 Ca4.8416 Fe0.136 H185.613 K0.1768 Mg3.128 Na2.5296 O364.806 Si117.096 -","8","","","Alberti, A.; Vezzalini, G.; Galli, E.; Quartieri, S.","The crystal structure of gottardiite, a new natural zeolite Note: occupancies altered to match chemical formula","European Journal of Mineralogy","1996","8","","69","75","","","","","","","","","","","","","","","","","","","","","","has coordinates","285044","2023-07-06","18:10:13",""
"9016054","14.2999","","14.4408","","14.769","","90","","90","","90","","3049.83","","","","","","","","","","","","Kahn Bogdo, Mongolia","6","C m c a","-C 2ac 2","64","","","Elpidite-Rb","- H1.816 Na0.06 O15.908 Rb1.769 Si6 Zr -","- H1.816 Na0.06 O15.908 Rb1.769 Si6 Zr -","- H14.528 Na0.48 O127.264 Rb14.152 Si48 Zr8 -","8","","","Grigor'eva, A. A.; Zubkova, N. V.; Pekov, I. V.; Kolitsch, U.; Pushcharovsky, D. Y.; Vigasina, M. F.; Giester, G.; Dordevic, T.; Tillmanns, E.; Chukanov, N. V.","Crystal chemistry of elpidite from Kahn Bogdo (Mongolia) and its K- and Rb-exchanged forms Note: Rb-exchanged at 150 deg C","Crystallography Reports","2011","56","","832","841","10.1134/S1063774511050117","","","","","","","","","","","","","","","","","","","","","has coordinates","283960","2023-05-23","08:42:10",""
"9016605","9.8362","","7.8301","","7.8655","","90","","90","","90","","605.788","","","","","","","","","","","","","2","C m c a","-C 2ac 2","64","","","Luobusaite","- Fe0.96 Si2 -","- Fe15.36 Si32 -","- Fe15.36 Si32 -","","","","Li, G.; Sh, N.; Xiong, M.; Ma, Z.; Bai, W.; Fang, Q.","Rietveld structure refinement of new mineral luobusaite (beta-FeSi2)","Journal of Mineralogy and Petrology","2007","27","","1","5","","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""